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Sample records for er-te-i ternary systems

  1. Metal biosorption equilibria in a ternary system

    SciTech Connect

    Chong, K.H.; Volesky, B.

    1996-03-20

    Equilibrium metal uptake performance of a biosorbent prepared from Ascophyllum nodosum seaweed biomass was studied using aqueous solutions containing copper, cadmium, and zinc ions in binary and ternary mixtures. Triangular equilibrium diagrams can graphically represent all the ternary equilibrium sorption data. Application of the multicomponent Langmuir model to describe the three-metal system revealed its nonideal characteristics, whereby the value of apparent dissociation constants for the respective metals differed for each system. This restricted the prediction of the ternary equilibria from the binary systems. However, some predictions of the ternary system behavior from the model were consistent with experimental data and with conclusions postulated from the three possible binary subsystems.

  2. The ternary system uranium-boron-carbon

    NASA Astrophysics Data System (ADS)

    Rogl, Peter; Bauer, Josef; Debuigne, Jean

    1989-04-01

    Phase equilibria in the ternary system U-B-C have been established by means of X-ray, metallographic and melting point analyses in the temperature range from 1000 ° C to melting. Three ternary compounds were found to exist: besides the well known monoboroncarbide UBC two new uranium boroncarbides, UB 2C and "U 5B 2C 7". Ternary phase equilibria are characterized by the incompatibility of uranium metal with boroncarbide B 4C and by the incompatibility of elemental boron and uranium carbides; an isothermal section of the system U-B-C at 1600° C is presented. At high temperatures the crystal structure of UB 2C was found to be isotypic with the homologous compound ThB 2C; at temperatures below (1675 ± 25)°C h-UB 2C transforms into a low temperature modification with a new (unknown) structure type. The crystal structure of "U 5B 2C 7" is closely related to the structure type of Ho 5B 2C 6-7 as a derivative of La 52C 6 Employing the Pirani-technique, congruent melting was revealed for UBC and UB 2C at (2144 ± 25)°C and (2282 ± 30)°C respectively. Using the clear-cross principle in studying possible phase reactions, the thermodynamic stabilities of UBC, UB 2C and U 5B 2C 7 were estimated.

  3. Equal area rule methods for ternary systems

    SciTech Connect

    Shyu, G.S.; Hanif, N.S.M.; Alvarado, J.F.J.; Hall, K.R.; Eubank, P.T.

    1995-12-01

    The phase equilibrium behavior of fluid mixtures is an important design consideration for both chemical processes and oil production. Eubank and Hall have recently shown the equal area rule (EAR) applies to the composition derivative of the Gibbs energy of a binary system at fixed pressure and temperature regardless of derivative continuity. A sufficient condition for equilibria, EAR is faster and simpler than either the familiar tangent-line method or the area method of Eubank et al. Here, the authors show that EAR can be extended to ternary systems exhibiting one, two, or three phases at equilibrium. A single directional vector is searched in composition space; at equilibrium, this vector is the familiar tie line. A sensitive criterion for equilibrium under EAR is equality of orthogonal derivatives such as ({partial_derivative}g/{partial_derivative}x{sub 1}){sub x{sub 2}P,T} at the end points ({alpha} and {beta}), where g {equivalent_to} ({Delta}{sub m}G/RT). Repeated use of the binary algorithm published in the first reference allows rapid, simple solution of ternary problems, even with hand-held calculations for cases where the background model is simple (e.g., activity coefficient models) and the derivative continuous.

  4. The ternary system cerium-rhodium-silicon

    SciTech Connect

    Lipatov, Alexey; Gribanov, Alexander; Grytsiv, Andriy; Safronov, Sergey; Rogl, Peter; Rousnyak, Julia; Seropegin, Yurii; Giester, Gerald

    2010-04-15

    Phase relations have been established in the ternary system Ce-Rh-Si for the isothermal section at 800 deg. C based on X-ray powder diffraction and EPMA on about 80 alloys, which were prepared by arc melting under argon or by powder reaction sintering. From the 25 ternary compounds observed at 800 deg. C 13 phases have been reported earlier. Based on XPD Rietveld refinements the crystal structures for 9 new ternary phases were assigned to known structure types. Structural chemistry of these compounds follows the characteristics already outlined for their prototype structures: tau{sub 7}-Ce{sub 3}RhSi{sub 3}, (Ba{sub 3}Al{sub 2}Ge{sub 2}-type), tau{sub 8}-Ce{sub 2}Rh{sub 3-x}Si{sub 3+x} (Ce{sub 2}Rh{sub 1.35}Ge{sub 4.65}-type), tau{sub 10}-Ce{sub 3}Rh{sub 4-x}Si{sub 4+x} (U{sub 3}Ni{sub 4}Si{sub 4}-type), tau{sub 11}-CeRh{sub 6}Si{sub 4} (LiCo{sub 6}P{sub 4}-type), tau{sub 13}-Ce{sub 6}Rh{sub 30}Si{sub 19.3} (U{sub 6}Co{sub 30}Si{sub 19}-type), tau{sub 18}-Ce{sub 4}Rh{sub 4}Si{sub 3} (Sm{sub 4}Pd{sub 4}Si{sub 3}-type), tau{sub 21}-CeRh{sub 2}Si (CeIr{sub 2}Si-type), tau{sub 22}-Ce{sub 2}Rh{sub 3+x}Si{sub 1-x} (Y{sub 2}Rh{sub 3}Ge-type) and tau{sub 24}-Ce{sub 8}(Rh{sub 1-x}Si{sub x}){sub 24}Si (Ce{sub 8}Pd{sub 24}Sb-type). For tau{sub 25}-Ce{sub 4}(Rh{sub 1-x}Si{sub x}){sub 12}Si a novel bcc structure was proposed from Rietveld analysis. Detailed crystal structure data were derived for tau{sub 3}-CeRhSi{sub 2} (CeNiSi{sub 2}-type) and tau{sub 6}-Ce{sub 2}Rh{sub 3}Si{sub 5} (U{sub 2}Co{sub 3}Si{sub 5}-type) by X-ray single crystal experiments, confirming the structure types. The crystal structures of tau{sub 4}-Ce{sub 22}Rh{sub 22}Si{sub 56}, tau{sub 5}-Ce{sub 20}Rh{sub 27}Si{sub 53} and tau{sub 23}-Ce{sub 33.3}Rh{sub 58.2-55.2}Si{sub 8.5-11.5} are unknown. High temperature compounds with compositions Ce{sub 10}Rh{sub 51}Si{sub 33} (U{sub 10}Co{sub 51}Si{sub 33}-type) and CeRhSi (LaIrSi-type) have been observed in as-cast alloys but these phases do not participate in

  5. The ternary system cerium-rhodium-silicon

    NASA Astrophysics Data System (ADS)

    Lipatov, Alexey; Gribanov, Alexander; Grytsiv, Andriy; Safronov, Sergey; Rogl, Peter; Rousnyak, Julia; Seropegin, Yurii; Giester, Gerald

    2010-04-01

    Phase relations have been established in the ternary system Ce-Rh-Si for the isothermal section at 800 °C based on X-ray powder diffraction and EPMA on about 80 alloys, which were prepared by arc melting under argon or by powder reaction sintering. From the 25 ternary compounds observed at 800 °C 13 phases have been reported earlier. Based on XPD Rietveld refinements the crystal structures for 9 new ternary phases were assigned to known structure types. Structural chemistry of these compounds follows the characteristics already outlined for their prototype structures: τ7—Ce 3RhSi 3, (Ba 3Al 2Ge 2-type), τ8—Ce 2Rh 3-xSi 3+x (Ce 2Rh 1.35Ge 4.65-type), τ10—Ce 3Rh 4-xSi 4+x (U 3Ni 4Si 4-type), τ11—CeRh 6Si 4 (LiCo 6P 4-type), τ13—Ce 6Rh 30Si 19.3 (U 6Co 30Si 19-type), τ18—Ce 4Rh 4Si 3 (Sm 4Pd 4Si 3-type), τ21—CeRh 2Si (CeIr 2Si-type), τ22—Ce 2Rh 3+xSi 1-x (Y 2Rh 3Ge-type) and τ24—Ce 8(Rh 1-xSi x) 24Si (Ce 8Pd 24Sb-type). For τ25—Ce 4(Rh 1-xSi x) 12Si a novel bcc structure was proposed from Rietveld analysis. Detailed crystal structure data were derived for τ3—CeRhSi 2 (CeNiSi 2-type) and τ6—Ce 2Rh 3Si 5 (U 2Co 3Si 5-type) by X-ray single crystal experiments, confirming the structure types. The crystal structures of τ4—Ce 22Rh 22Si 56, τ5—Ce 20Rh 27Si 53 and τ23—Ce 33.3Rh 58.2-55.2Si 8.5-11.5 are unknown. High temperature compounds with compositions Ce 10Rh 51Si 33 (U 10Co 51Si 33-type) and CeRhSi (LaIrSi-type) have been observed in as-cast alloys but these phases do not participate in the phase equilibria at 800 °C.

  6. The ternary system cerium-palladium-silicon

    SciTech Connect

    Lipatov, Alexey; Gribanov, Alexander; Grytsiv, Andriy; Rogl, Peter; Murashova, Elena; Seropegin, Yurii; Giester, Gerald; Kalmykov, Konstantin

    2009-09-15

    Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800 deg. C based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800 deg. C. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of tau{sub 8}-Ce{sub 3}Pd{sub 4}Si{sub 4} (U{sub 3}Ni{sub 4}Si{sub 4}-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7) nm), tau{sub 16}-Ce{sub 2}Pd{sub 14}Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2) nm) and also for tau{sub 18}-CePd{sub 1-x}Si{sub x} (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4) nm). Rietveld refinements established the atom arrangement in the structures of tau{sub 5}-Ce{sub 3}PdSi{sub 3} (Ba{sub 3}Al{sub 2}Ge{sub 2}-type, Immm; a=0.41207(1), b=0.43026(1), c=1.84069(4) nm) and tau{sub 13}-Ce{sub 3-x}Pd{sub 20+x}Si{sub 6} (0<=x<=1, Co{sub 20}Al{sub 3}B{sub 6}-type, Fm3-barm; a=1.21527(2) nm). The ternary compound Ce{sub 2}Pd{sub 3}Si{sub 3} (structure-type Ce{sub 2}Rh{sub 1.35}Ge{sub 4.65}, Pmmn; a=0.42040(1), b=0.42247(1), c=1.72444(3) nm) was detected as a high-temperature compound, however, does not participate in the equilibria at 800 deg. C. Phase equilibria in Ce-Pd-Si are characterized by the absence of cerium solubility in palladium silicides. Mutual solubility among cerium silicides and cerium-palladium compounds are significant whereby random substitution of the almost equally sized atom species palladium and silicon is reflected in extended homogeneous regions at constant Ce-content such as for tau{sub 2}-Ce(Pd{sub x}Si{sub 1-x}){sub 2} (AlB{sub 2}-derivative type), tau{sub 6}-Ce(Pd{sub x}Si{sub 1-x}){sub 2} (ThSi{sub 2}-type) and tau{sub 7}-CePd{sub 2-x}Si{sub 2+x}. The crystal structures of compounds tau{sub 4}-Ce{sub a}pprox{sub 8}Pd

  7. Maxwell-Stefan diffusion coefficient estimation for ternary systems: an ideal ternary alcohol system.

    PubMed

    Allie-Ebrahim, Tariq; Zhu, Qingyu; Bräuer, Pierre; Moggridge, Geoff D; D'Agostino, Carmine

    2017-06-21

    The Maxwell-Stefan model is a popular diffusion model originally developed to model diffusion of gases, which can be considered thermodynamically ideal mixtures, although its application has been extended to model diffusion in non-ideal liquid mixtures as well. A drawback of the model is that it requires the Maxwell-Stefan diffusion coefficients, which are not based on measurable quantities but they have to be estimated. As a result, numerous estimation methods, such as the Darken model, have been proposed to estimate these diffusion coefficients. However, the Darken model was derived, and is only well defined, for binary systems. This model has been extended to ternary systems according to two proposed forms, one by R. Krishna and J. M. van Baten, Ind. Eng. Chem. Res., 2005, 44, 6939-6947 and the other by X. Liu, T. J. H. Vlugt and A. Bardow, Ind. Eng. Chem. Res., 2011, 50, 10350-10358. In this paper, the two forms have been analysed against the ideal ternary system of methanol/butan-1-ol/propan-1-ol and using experimental values of self-diffusion coefficients. In particular, using pulsed gradient stimulated echo nuclear magnetic resonance (PGSTE-NMR) we have measured the self-diffusion coefficients in various methanol/butan-1-ol/propan-1-ol mixtures. The experimental values of self-diffusion coefficients were then used as the input data required for the Darken model. The predictions of the two proposed multicomponent forms of this model were then compared to experimental values of mutual diffusion coefficients for the ideal alcohol ternary system. This experimental-based approach showed that the Liu's model gives better predictions compared to that of Krishna and van Baten, although it was only accurate to within 26%. Nonetheless, the multicomponent Darken model in conjunction with self-diffusion measurements from PGSTE-NMR represents an attractive method for a rapid estimation of mutual diffusion in multicomponent systems, especially when compared to exhaustive

  8. Mesoscale inhomogeneities in an aqueous ternary system

    NASA Astrophysics Data System (ADS)

    Subramanian, Deepa; Hayward, Stephen; Altabet, Elia; Collings, Peter; Anisimov, Mikhail

    2012-02-01

    Aqueous solutions of certain low-molecular-weight organic compounds, such as alcohols, amines, or ethers, which are considered macroscopically homogeneous, show the presence of mysterious mesoscale inhomogeneities, order of a hundred nm in size. We have performed static and dynamic light scattering experiments in an aqueous ternary system consisting of tertiary butyl alcohol and propylene oxide. Tertiary butyl alcohol is completely soluble in water and in propylene oxide, and forms strong hydrogen bonds with water molecules. Based on results of the study, we hypothesize that the mesoscale inhomogeneities are akin to a micro phase separation, resulting from a competition between water molecules and propylene oxide molecules, wanting to be adjacent to amphiphilic tertiary butyl alcohol molecules. Coupling between two competing order parameters, super-lattice binary-alloy-like (``antiferromagnetic'' type) and demixing (``ferromagnetic'' type) may explain the formation of these inhomogeneities. Long-term stability investigation of this supramolecular structure has revealed that these inhomogeneities are exceptionally long-lived non-equilibrium structures that persist for weeks or even months.

  9. Ternary compounds and isothermal section in Lu-Fe-Ga ternary system at 773 K

    NASA Astrophysics Data System (ADS)

    Liu, Fusheng; Ao, Weiqin; Pan, Laicai; Wang, Qibao; Yan, Jialing; Li, Junqin

    2013-06-01

    The isothermal section of the Lu-Fe-Ga ternary system at 773 K was investigated and constructed based on X-ray powder diffraction analysis. Thirteen binary compounds, Lu2Fe17, Lu6Fe23, LuFe2, LuGa3, LuGa2, Lu3Ga5, LuGa, Lu3Ga2, Lu5Ga3, Fe3Ga, Fe6Ga5, Fe3Ga4, FeGa3, nine ternary solid solutions, T1-LuFe2-1.43Ga0-0.57, T2-LuFe1.34-0.92Ga0.68-1.08, T3-LuFe0.52-0.26Ga1.48-1.74, T5-LuFe2.04-1.72Ga0.96-1.28, T6-Lu6Fe23-21.4Ga0-1.6, T7-Lu2Fe17-14.5Ga0-3.5, T8-Lu2Fe12.9-8.1Ga4.1-8.9, T9-LuFe6.8-5.5Ga5.2-6.5, T10-LuFe5.2-4.5Ga6.8-7.5, and two ternary compounds, T4-LuFe2.35Ga0.65 and T11-Lu2FeGa8 have been confirmed. The structures of the five new ternary compounds or solid solution T2, T3, T4, T5 and T8 are determined by Rietveld refinement method.

  10. Electron probe microanalysis in the ternary Gd B C system

    NASA Astrophysics Data System (ADS)

    Ruiz, Domingo; Garland, Maria Teresa; Saillard, Jean-Yves; Halet, Jean-François; Bohn, Marcel; Bauer, Josef

    2002-09-01

    EPMA exploration of the Gd-B-C system in the region "Gd-GdB 2-GdBC" and in the neighborhood of the recently described Gd 4B 3C 4 compound led to the identification of 9 new ternary phases, which allows to clear up the phase diagram of this ternary system. A structural description of the bonding between the non-metal atoms in most of the identified compounds is proposed, on the basis of simple electron counting rules and using the planar repeat units or the finite linear anions which have been shown to exist in the structurally characterized rare-earth borocarbide compounds.

  11. Solidification of ternary systems with a nonlinear phase diagram

    NASA Astrophysics Data System (ADS)

    Alexandrov, D. V.; Dubovoi, G. Yu.; Malygin, A. P.; Nizovtseva, I. G.; Toropova, L. V.

    2017-02-01

    The directional solidification of a ternary system with an extended phase transition region is theoretically studied. A mathematical model is developed to describe quasi-stationary solidification, and its analytical solution is constructed with allowance for a nonlinear liquidus line equation. A deviation of the liquidus equation from a linear function is shown to result in a substantial change in the solidification parameters.

  12. Applications of ternary systems in specific cosmetic formulations.

    PubMed

    Comelles, F; Megias, V; Sánchez, J; Parra, J L; Coll, J; Balaguer, F; Pelejero, C

    1989-02-01

    Synopsis The study of ternary systems leads to the understanding of the physico-chemical aspect and allows the contribution of the different components to a cosmetic formulation to be developed. The present investigation was centred in the zone of transparent get belonging to a previously studied ternary system containing a broad variety of different structural compositions. The possibility of including an active sunscreen as well as the ability to increase the water content of the gel was studied. The microscopical study of the compositions with polarized light allowed us to assign the corresponding different structures. A correlation between these structures and their physico-chemical properties, with special emphasis to rheology, has been established.

  13. A Ternary Phase Diagram for a Less Hazardous System

    NASA Astrophysics Data System (ADS)

    Udale, Barbara A.; Wells, John D.

    1995-12-01

    The ternary phase diagram for the partially miscible liquid system n-propanol-n-heptane-water can be determined readily in an undergraduate laboratory experiment. The coexistence curve is obtained from titration results. Tie lines are then estimated from the compositions of pairs of phases in equilibrium, the propanol concentrations being determined by gas chromatography. The reagents are less hazardous than those of the classic acetic acid-chloroform-water system, and the gas chromatographic analysis has more interest for students than the acid-base titrations of the older experiment.

  14. Thermodynamic Modeling of the Al-Cr-Mn Ternary System

    NASA Astrophysics Data System (ADS)

    Cui, Senlin; Jung, In-Ho

    2017-03-01

    The phase diagram information available in the literature on the Al-Cr-Mn system was comprehensively evaluated and optimized for the first time to obtain a set of Gibbs energies of all the solid and liquid phases in the Al-Cr-Mn system. The Modified Quasi-chemical Model (MQM) was utilized to describe the Gibbs energy of the liquid phase of the Al-Cr-Mn system. The Compound Energy Formalism (CEF) was used to model the solid solution phases. A revision of the Al-Mn system was simultaneously conducted to consider the γ_H (Al8Mn5) phase. The liquid Cr-Mn phase was also remodeled using the Modified Quasi-chemical Model (MQM) to obtain a consistent description of the ternary Al-Cr-Mn liquid phase. Accurate description of the phase diagram of the entire Al-Cr-Mn system was obtained from the thermodynamic models with optimized parameters in the present study, and the model parameters can be used to predict the thermodynamic properties of the ternary system.

  15. Cubic phases of ternary amphiphile-water systems.

    PubMed

    Fraser, Scott; Separovic, Frances; Polyzos, Anastasios

    2009-12-01

    The reversed cubic phases (Q(II)) are a class of self-assembled amphiphile-water structures that are rich in diversity and structural complexity. These nanostructured liquid crystalline materials are generating much interest owing to their unique surface morphology, biological relevance and potential technological and medical applications. The structure of Q(II) phases in binary amphiphile-water systems is affected by the molecular structure of surfactant, water content, temperature and pressure. The presence of additives also plays an important role. The structure and phase behaviour of ternary Q(II) phases, which are comprised of two miscible amphiphiles and water, significantly differ from the binary system alone. The modulation of the phase behaviour through the addition of a second amphiphile offers an opportunity to control the size and shape of the nanostructures using a 'bottom-up' approach. In this mini-review, we discuss the structure of reversed cubic phases of amphiphile-water systems and highlight the modulation of cubic-phase structure in ternary-phase systems. We also extend this review to bulk cubic phases and the corresponding nanoscale dispersions, cubic-phase nanoparticles.

  16. Using a Ternary Diagram to Display a System's Evolving Energy Distribution

    ERIC Educational Resources Information Center

    Brazzle, Bob; Tapp, Anne

    2016-01-01

    A ternary diagram is a graphical representation used for systems with three components. They are familiar to mineralogists (who typically use them to categorize varieties of solid solution minerals such as feldspar) but are not yet widely used in the physics community. Last year the lead author began using ternary diagrams in his introductory…

  17. Using a Ternary Diagram to Display a System's Evolving Energy Distribution

    ERIC Educational Resources Information Center

    Brazzle, Bob; Tapp, Anne

    2016-01-01

    A ternary diagram is a graphical representation used for systems with three components. They are familiar to mineralogists (who typically use them to categorize varieties of solid solution minerals such as feldspar) but are not yet widely used in the physics community. Last year the lead author began using ternary diagrams in his introductory…

  18. Normal freezing of ideal ternary systems of the pseudobinary type

    NASA Technical Reports Server (NTRS)

    Li, C. H.

    1972-01-01

    Perfect liquid mixing but no solid diffusion is assumed in normal freezing. In addition, the molar compositions of the freezing solid and remaining liquid, respectively, follow the solidus and liquidus curves of the constitutional diagram. For the linear case, in which both the liquidus and solidus are perfectly straight lines, the normal freezing equation giving the fraction solidified at each melt temperature and the solute concentration profile in the frozen solid was determined as early as 1902, and has since been repeatedly published. Corresponding equations for quadratic, cubic or higher-degree liquidus and solidus lines have also been obtained. The equation of normal freezing for ideal ternary liquid solutions solidified into ideal solid solutions of the pseudobinary type is given. Sample computations with the use of this new equation were made and are given for the Ga-Al-As system.

  19. Ternary system Er-Ni-In at T=870 K

    SciTech Connect

    Dzevenko, M.; Tyvanchuk, Yu.; Bratash, L.; Zaremba, V.; Havela, L.; Kalychak, Ya.

    2011-10-15

    Isothermal section of the Er-Ni-In system at T=870 K was constructed by means of X-ray powder diffraction and EDX-analyses. Nine ternary compounds, namely ErNi{sub 9}In{sub 2} (YNi{sub 9}In{sub 2}-type), Er{sub 1-1.22}Ni{sub 4}In{sub 1-0.78} (MgCu{sub 4}Sn-type), Er{sub 10}Ni{sub 9.07}In{sub 20} (Ho{sub 10}Ni{sub 9}In{sub 20}-type), ErNi{sub 1-0.60}In{sub 1-1.40} (ZrNiAl-type), Er{sub 2}Ni{sub 2}In (Mn{sub 2}AlB{sub 2}-type), Er{sub 2}Ni{sub 1.78}In (Mo{sub 2}FeB{sub 2}-type), Er{sub 5}Ni{sub 2}In{sub 4} (Lu{sub 5}Ni{sub 2}In{sub 4}-type), Er{sub 5}Ni{sub 2}In (Mo{sub 5}SiB{sub 2}-type), and Er{sub 13.53}Ni{sub 3.14}In{sub 3.33} (Lu{sub 14}Co{sub 2}In{sub 3}-type), exist in the Er-Ni-In system at this temperature. The substitution of Ni for In was observed for ErNi{sub 1-0.60}In{sub 1-1.40} and In for Er in the case of related compounds ErNi{sub 2} and ErNi{sub 4}In. Er can enter NiIn (CoSn-type) leading to including-substitution type of compound Er{sub 0-0.12}NiIn{sub 1-0.89}. Basic magnetic properties of the Er{sub 0.04}NiIn{sub 0.97}, ErNi{sub 2}, Er{sub 0.9}Ni{sub 2}In{sub 0.1}, and ErNi{sub 4}In phases were inspected. Electrical-resistivity studies were performed on the ErNiIn, ErNi{sub 0.9}In{sub 1.1}, and ErNi{sub 4}In phases. - Graphical Abstract: Phase relations in the ternary system Er-Ni-In have been established for the isothermal section at T=870 K based on X-ray phase and EDX-analyses. Nine ternary compounds were observed. Highlights: > Isothermal section of Er-Ni-In system at T=870 K was constructed. > Nine ternary compounds were detected. > Basic magnetic properties of Er{sub 0.04}NiIn{sub 0.97} and ErNi{sub 4}In phases were inspected.

  20. Solid-Phase Equilibria for Metal-Silicon-Oxygen Ternary Systems. II. Sc, Y, and La

    DTIC Science & Technology

    1991-02-28

    Organization: Regents of the University of California TECHNICAL REPORT No. 9 SOLID- PHASE EQUILIBRIA FOR METAL-SILICON-OXYGEN TERNARY SYSTEMS: 11: Sc, Y, AND La...34’ SOLID- PHASE EQUILIBRIA FOR METAL-SILICON-OXYGEN TERNARY SYSTEMS: 11: Sc, Y, AND 1a 13 0911OtiA AUTHORCS) Haojie Yuan and R. Stanley Williams lI" TV...0660te tCLhSSWI=) Solid phase equilibria for metal-silicon-oxygen ternary systems I1: Sc, Y and La Haojie Yuan and R. Stanley Williams Department of

  1. Balancing Accuracy and Computational Efficiency for Ternary Gas Hydrate Systems

    NASA Astrophysics Data System (ADS)

    White, M. D.

    2011-12-01

    Geologic accumulations of natural gas hydrates hold vast organic carbon reserves, which have the potential of meeting global energy needs for decades. Estimates of vast amounts of global natural gas hydrate deposits make them an attractive unconventional energy resource. As with other unconventional energy resources, the challenge is to economically produce the natural gas fuel. The gas hydrate challenge is principally technical. Meeting that challenge will require innovation, but more importantly, scientific research to understand the resource and its characteristics in porous media. Producing natural gas from gas hydrate deposits requires releasing CH4 from solid gas hydrate. The conventional way to release CH4 is to dissociate the hydrate by changing the pressure and temperature conditions to those where the hydrate is unstable. The guest-molecule exchange technology releases CH4 by replacing it with a more thermodynamically stable molecule (e.g., CO2, N2). This technology has three advantageous: 1) it sequesters greenhouse gas, 2) it releases energy via an exothermic reaction, and 3) it retains the hydraulic and mechanical stability of the hydrate reservoir. Numerical simulation of the production of gas hydrates from geologic deposits requires accounting for coupled processes: multifluid flow, mobile and immobile phase appearances and disappearances, heat transfer, and multicomponent thermodynamics. The ternary gas hydrate system comprises five components (i.e., H2O, CH4, CO2, N2, and salt) and the potential for six phases (i.e., aqueous, liquid CO2, gas, hydrate, ice, and precipitated salt). The equation of state for ternary hydrate systems has three requirements: 1) phase occurrence, 2) phase composition, and 3) phase properties. Numerical simulation of the production of geologic accumulations of gas hydrates have historically suffered from relatively slow execution times, compared with other multifluid, porous media systems, due to strong nonlinearities and

  2. Surface tension isotherms of the dioxane-acetone-water and glycerol-ethanol-water ternary systems

    NASA Astrophysics Data System (ADS)

    Dzhambulatov, R. S.; Dadashev, R. Kh.; Elimkhanov, D. Z.; Dadashev, I. N.

    2016-10-01

    The results of the experimental and theoretical studies of the concentration dependence of surface tension of aqueous solutions of the 1,4-dioxane-acetone-water and glycerol-ethanol-water ternary systems were given. The studies were performed by the hanging-drop method on a DSA100 tensiometer. The maximum error of surface tension was 1%. The theoretical models for calculating the surface tension of the ternary systems of organic solutions were analyzed.

  3. Electromotive Force Measurements in the Ternary System Bi-In-Zn

    NASA Astrophysics Data System (ADS)

    Knott, Sabine; Li, Zuoan; Wang, C.-H.; Mikula, Adolf

    2010-12-01

    The thermodynamic properties of the ternary Bi-In-Zn system were determined with the electromotive force (EMF) method using a liquid electrolyte. Four different cross sections with constant In/Bi ratios of 1:2, 1:1, 2:1, and 9:1 were applied to measure the thermodynamic properties of the ternary system in the temperature range between the liquidus temperature of the alloys and 973 K (700 °C). Zinc was added in steps of 5 at. pct from 5 to 90 pct. The partial free energies of Zn in liquid Bi-In-Zn alloys were determined as a function of concentration and temperature. The integral Gibbs free energy and the integral enthalpy of the ternary system at 873 K (600 °C) were calculated by Gibbs-Duhem integration. The ternary interaction parameters were evaluated using the Redlich-Kister-Muggianu polynomials.

  4. TERNARY PHASE EQUILIBRIA IN TRANSITION METAL-BORON-CARBON-SILICON SYSTEMS. PART II. TERNARY SYSTEMS. VOLUME XVI. V-NB-C SYSTEM,

    DTIC Science & Technology

    Phase equilibria in the ternary system vanadium-niobium-carbon from 800C through the melting ranges of the cubic monocarbide solid solutions were...established on the basis of X-ray, melting point and metallographic studies. The phase equilibria above 1400C are presented in a three-dimensional...temperature-composition constitutional diagram, since the phase equilibria below 1400C were not thoroughly investigated due to kinetic problems. Vanadium

  5. Ternary versus binary material systems for gradient index optics

    NASA Astrophysics Data System (ADS)

    Beadie, G.; Mait, J.; Flynn, R. A.; Milojkovic, P.

    2017-05-01

    Previous work developed a first-order theory for picking optimal pairs of materials for gradient index (GRIN) achromatic singlets. This work extends that concept to include the addition of a third material to a GRIN blend, to improve performance further. Several ternary-based GRIN lens designs are compared to binary versions. Implications for material development in gradient index optics are discussed.

  6. Ternary Phases (Heusler) in the System Ti-Co-Sn

    NASA Astrophysics Data System (ADS)

    Kosinskiy, Andrey; Karlsen, Ole Bjørn; Sørby, Magnus H.; Prytz, Øystein

    2016-12-01

    Some of the Heusler-phases ( XY 2 Z and XYZ) are known to have large homogeneity ranges which can be useful for tuning material properties. In this work, we have revised the isothermal section of the Ti-Co-Sn system at 973 K (700 °C). A total of 29 ternary compositions, mostly in the regions TiCo2- x Sn for 0 ≤ x ≤ 1 and Ti1+ y Co2Sn1- y for 0 ≤ y ≤ 1, were prepared by arc-melting, then ball-milled and annealed. The resulting annealed powder samples were studied by applying the Rietveld method to X-ray and neutron powder diffraction data. Half-Heusler TiCoSn was not observed. The Heusler phase observed in TiCo2- x Sn has compositions ranging from TiCo1.52Sn to TiCo2Sn and has the half-Heusler structure where the excess of Co is located on the semi-filled tetrahedral site 4 d (¾, ¾, ¾) in the space group F-43 m. At 1273 K (1000 °C), this solid solubility is expanded from TiCo2Sn to TiCo with full solid solubility where Ti is gradually replacing Sn (Ti1+ y Co2Sn1- y for 0 ≤ y ≤ 1), while at 973 K (700 °C) there is a small solubility gap for 0.0 ≤ y ≤ 0.2.

  7. Solid dispersion of pharmaceutical ternary systems I: Phase diagram of aspirin-acetaminophen-urea system.

    PubMed

    el-Banna, H M

    1978-08-01

    The phase diagram of an aspirin-acetaminophen-urea system was constructed. The data obtained by the thermomicroscopic method showed that the binary systems of aspirin-acetaminophen, aspirin-urea, and acetaminophen-urea are simple eutectic mixtures with negligible formation of solid solutions or molecular compounds. The equilateral triangular phase diagram of the ternary system revealed that it forms, upon solidification, solid dispersions of the mechanical mixture type. The ternary eutectic corresponded to a composition of 60% aspirin, 20% acetaminophen, and 20% urea at 72 degrees. The method of calculating the composition finally solidified melts, lying within any area of the phase diagram, is presented. Use of the phase diagram in selecting the optimum ratio of components to enhance dissolution rates of these drugs may be possible.

  8. Proposed thermodynamic method to predict the glass formation of the ternary transition metal systems.

    PubMed

    Wang, T L; Li, J H; Liu, B X

    2009-04-14

    By considering the energetic competition between the crystalline solid solution and glass phase, a thermodynamic method is proposed to predict/determine the glass forming range of a ternary metal system and in terms of the dynamics, the parameter gamma(ABC)* is further defined to search for a proper alloy with superior glass forming ability in the system. 10 more ternary/binary metal systems, e.g. the Cu-Zr-Ti and Cu-Hf-Ti systems, were studied and the predicted alloys of superior glass forming ability match well with those reported from experimental observations.

  9. Using a Ternary Diagram to Display a System's Evolving Energy Distribution

    NASA Astrophysics Data System (ADS)

    Brazzle, Bob; Tapp, Anne

    2016-04-01

    A ternary diagram is a graphical representation used for systems with three components. They are familiar to mineralogists (who typically use them to categorize varieties of solid solution minerals such as feldspar) but are not yet widely used in the physics community. Last year the lead author began using ternary diagrams in his introductory (calculus-based) physics course in a novel context—tracking the distribution of energy in a system as it transforms among three categories (e.g., gravitational, kinetic, and thermal) or transfers among three objects (e.g., inductor, capacitor, and resistor). The ternary diagram has some significant advantages over other graphical representations of energy distributions: an entire scenario can appear in a single plot, even when using very small time steps. This also means that the plot can be used to compare relative rates of energy change during various processes. Our goal for this paper is to introduce the ternary diagram and discuss these advantages in hopes that this will stimulate broader use of ternary diagrams and further research into their educational utility.

  10. Solid-State Phase Equilibria and Intermetallic Compounds of the Si-V-Zr Ternary System

    NASA Astrophysics Data System (ADS)

    Pan, Yanfang; Ye, Haimei; Chen, Xiaoxian; Jiang, Wenping; Yang, Wenchao; Zhan, Yongzhong

    2016-12-01

    Phase relations in the Si-V-Zr ternary system at 973 K (700 °C) were experimentally investigated using X-ray powder diffraction and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy. The isothermal section at 973 K (700 °C) is governed by seventeen three-phase regions, thirty-two two-phase regions, and sixteen single-phase regions. Ten binary compounds and one ternary compound (SiVZr) were confirmed. There are two new ternary compounds found in this work for the first time. One of them (Si4V3Zr2) was found in the stoichiometric composition around V 38 pct, Si 50 pct, and Zr 12 pct. The existence of another one (V17Si12Zr3) was observed while analyzing the XRD results of large quantities of equilibrated samples in the region around 54 at. pct V, 33 at. pct Si, and 13 at. pct Zr.

  11. Liquidus Projections of Bi-Se-Ga and Bi-Se-Te Ternary Systems

    NASA Astrophysics Data System (ADS)

    Lin, Po-han; Chen, Sinn-wen; Hwang, Jenn-dong; Chu, Hsu-shen

    2016-12-01

    This study determines the liquidus projections of both Bi-Se-Ga and Bi-Se-Te ternary systems which are constituent ternary systems of promising Bi-Se-Te-Ga thermoelectric materials. Ternary Bi-Se-Ga and Bi-Se-Te alloys are prepared. Their primary solidification phases are experimentally determined, and thermal analysis experiments are carried out. The liquidus projections are determined based on the ternary experimental results and phase diagrams of constituent binary systems. The Bi-Se-Ga system includes seven primary solidification phases, Bi, Ga, GaSe, Ga2Se3, Se, Bi2Se3, and (Bi2)n(Bi2Se3)m. In the Bi-Se-Te system, there are five primary solidification phases, Bi, (Bi2)n(Bi2Te3)m, Bi2(Se,Te)3, (Se,Te), and (Bi2)n(Bi2Se3)m. Both the (Bi2)n(Bi2Te3)m and (Bi2)n(Bi2Se3)m phases are not a single phase, but a collection of series undetermined phases. Large miscibility gaps are observed in the Bi-Se-Ga system. The temperatures of the invariant reactions, Liquid + Bi + GaSe = Ga and Liquid + Ga2Se3 = Bi + GaSe, are at 495 K (222 °C) and 533 K (260 °C), respectively.

  12. Protein-mediated efficient synergistic "antenna effect" in a ternary system in D₂O medium.

    PubMed

    Ghorai, Shyamal Kr; Samanta, Swarna Kamal; Mukherjee, Manini; Ghosh, Sanjib

    2012-08-16

    A ternary system consisting of a protein, catechin (either + or - epimer), and Tb(III) in suitable aqueous buffer medium at physiological pH (= 6.8) has been shown to exhibit highly efficient "antenna effect". Steady state and time-resolved emission studies of each component in the binary complexes (protein with Tb(III) and (+)- or (-)-catechin with Tb(III)) and the ternary systems along with the molecular docking studies reveal that the efficient sensitization could be ascribed to the effective shielding of microenvironment of Tb(III) from O-H oscillator and increased Tb-C (+/-) interaction in the ternary systems in aqueous medium. The ternary system exhibits protein-mediated efficient antenna effect in D(2)O medium due to synergistic ET from both the lowest ππ* triplet state of Trp residue in protein and that of catechin apart from protection of the Tb(III) environment from matrix vibration. The simple system consisting of (+)- or (-)-catechin and Tb(III) in D(2)O buffer at pH 6.8 has been prescribed to be a useful biosensor.

  13. Characterization of Ternary Protein Systems In Vivo with Tricolor Heterospecies Partition Analysis.

    PubMed

    Hur, Kwang-Ho; Chen, Yan; Mueller, Joachim D

    2016-03-08

    Tools and assays that characterize protein-protein interactions are of fundamental importance to biology, because protein assemblies play a critical role in the control and regulation of nearly every cellular process. The availability of fluorescent proteins has facilitated the direct and real-time observation of protein-protein interactions inside living cells, but existing methods are mostly limited to binary interactions between two proteins. Because of the scarcity of techniques capable of identifying ternary interactions, we developed tricolor heterospecies partition analysis. The technique is based on brightness analysis of fluorescence fluctuations from three fluorescent proteins that serve as protein labels. We identified three fluorescent proteins suitable for tricolor brightness experiments. In addition, we developed the theory of identifying interactions in a ternary protein system using tricolor heterospecies partition analysis. The theory was verified by experiments on well-characterized protein systems. A graphical representation of the heterospecies partition data was introduced to visualize interactions in ternary protein systems. Lastly, we performed fluorescence fluctuation experiments on cells expressing a coactivator and two nuclear receptors and applied heterospecies partition analysis to explore the interactions of this ternary protein system. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  14. Phase Equilibria of the Fe-Ni-Sn Ternary System at 270°C

    NASA Astrophysics Data System (ADS)

    Huang, Tzu-Ting; Lin, Shih-Wei; Chen, Chih-Ming; Chen, Pei Yu; Yen, Yee-Wen

    2016-12-01

    The Fe-42 wt.% Ni alloy, also known as a 42 invar alloy (Alloy 42), is used as a lead-frame material because its thermal expansion coefficient is much closer to Si substrate than Cu or Ni substrates. In order to enhance the wettability between the substrate and solder, the Sn layer was commonly electroplated onto the Alloy 42 surface. A clear understanding of the phase equilibria of the Fe-Ni-Sn ternary system is necessary to ensure solder-joint reliability between Sn and Fe-Ni alloys. To determine the isothermal section of the Fe-Ni-Sn ternary system at 270°C, 26 Fe-Ni-Sn alloys with different compositions were prepared. The experimental results confirmed the presence of the Fe3Ni and FeNi phases at 270°C. Meanwhile, it observed that the isothermal section of the Fe-Ni-Sn ternary system was composed of 11 single-phase regions, 19 two-phase regions and nine tie-triangles. Moreover, no ternary compounds were found in the Fe-Ni-Sn system at 270°C.

  15. Phase equilibria, formation, crystal and electronic structure of ternary compounds in Ti-Ni-Sn and Ti-Ni-Sb ternary systems

    NASA Astrophysics Data System (ADS)

    Romaka, V. V.; Rogl, P.; Romaka, L.; Stadnyk, Yu.; Melnychenko, N.; Grytsiv, A.; Falmbigl, M.; Skryabina, N.

    2013-01-01

    The phase equilibria of the Ti-Ni-Sn and Ti-Ni-Sb ternary systems have been studied in the whole concentration range by means of X-ray and EPM analyses at 1073 K and 873 K, respectively. Four ternary intermetallic compounds TiNiSn (MgAgAs-type), TiNi2-xSn (MnCu2Al-type), Ti2Ni2Sn (U2Pt2Sn-type), and Ti5NiSn3 (Hf5CuSn3-type) are formed in Ti-Ni-Sn system at 1073 K. The TiNi2Sn stannide is characterized by homogeneity in the range of 50-47 at% of Ni. The Ti-Ni-Sb ternary system at 873 K is characterized by formation of three ternary intermetallic compounds, Ti0.8NiSb (MgAgAs-type), Ti5Ni0.45Sb2.55 (W5Si3-type), and Ti5NiSb3 (Hf5CuSn3-type). The solubility of Ni in Ti0.8NiSb decreases number of vacancies in Ti site up to Ti0.91Ni1.1Sb composition.

  16. Phase Equilibria of Sn-Sb-Ag Ternary System (II): Calculation

    NASA Astrophysics Data System (ADS)

    Gierlotka, Wojcieh; Huang, Yu-Chih; Chen, Sinn-Wen

    2008-12-01

    Knowledge of the phase equilibria of the Sn-Sb-Ag ternary system is of fundamental importance in Sn-Sb-based solder applications. Thermodynamic models of the ternary Sn-Sb-Ag system and the binary Sb-Ag and Sn-Ag systems are developed using the calculation of phase diagrams (CALPHAD) method. The calculated 250 °C isothermal section, liquidus projection, and thermodynamic properties are in good agreement with the experimental results. There are two continuous solid solutions formed between the ɛ-Ag3Sn and ɛ-Ag3Sb, and ζ-Ag17Sb3 and ζ-Ag5Sn phases, but there is no ternary compound. There are three class II ternary invariant reactions, L + Sb ↔ ɛ + β-SnSb, L + β-SnSb ↔ Sn3Sb2 + ɛ, and L + Sn3Sb2 ↔ Sn + ɛ. Their reaction temperatures are 379 °C, 313 °C, and 231 °C, respectively.

  17. Phase equilibria in the ternary In–Ni–Sn system at 700 °C

    PubMed Central

    Schmetterer, C.; Zemanova, A.; Flandorfer, H.; Kroupa, A.; Ipser, H.

    2013-01-01

    The phase equilibria of the ternary system In–Ni–Sn were investigated experimentally at 700 °C using X-ray diffraction (XRD) and scanning electron microscopy (SEM) including electron micro probe analysis (EMPA) and energy dispersive X-ray spectroscopy (EDX). A corresponding isothermal section was established based on these results. This particular temperature was chosen because it allowed obtaining reliable results within reasonable time. The existence of the ternary phase InNi6Sn5 was confirmed whereas the ternary compound In2NiSn, reported earlier in literature, was found to be part of a large solid solution field based on binary InNi. The ternary solubility of the binary phases was established, and continuous solid solutions were found between the isostructural phases Ni3Sn LT and InNi3 as well as between Ni3Sn2 HT and InNi2. In addition, this isothermal section could be well reproduced by CALPHAD modelling. The resulting calculated isotherm at 700 °C is presented, too, and compared with the experimental results. PMID:27087756

  18. Phase equilibria in the ternary In-Ni-Sn system at 700 °C.

    PubMed

    Schmetterer, C; Zemanova, A; Flandorfer, H; Kroupa, A; Ipser, H

    2013-04-01

    The phase equilibria of the ternary system In-Ni-Sn were investigated experimentally at 700 °C using X-ray diffraction (XRD) and scanning electron microscopy (SEM) including electron micro probe analysis (EMPA) and energy dispersive X-ray spectroscopy (EDX). A corresponding isothermal section was established based on these results. This particular temperature was chosen because it allowed obtaining reliable results within reasonable time. The existence of the ternary phase InNi6Sn5 was confirmed whereas the ternary compound In2NiSn, reported earlier in literature, was found to be part of a large solid solution field based on binary InNi. The ternary solubility of the binary phases was established, and continuous solid solutions were found between the isostructural phases Ni3Sn LT and InNi3 as well as between Ni3Sn2 HT and InNi2. In addition, this isothermal section could be well reproduced by CALPHAD modelling. The resulting calculated isotherm at 700 °C is presented, too, and compared with the experimental results.

  19. Thermodynamic analysis of glass-forming ability in a Ca-Mg-Zn ternary alloy system

    SciTech Connect

    Gorsse, S.; Orveillon, G.; Senkov, O. N.; Miracle, D. B.

    2006-06-01

    A thermodynamic analysis of the onset driving force for crystallization of super-cooled liquid has been conducted to explain strong composition dependency of the glass forming ability in the Ca-Mg-Zn ternary alloy system observed experimentally. In addition to the onset driving force, other energetic and kinetic factors are discussed to explain the observed glass stabilities. The universality of this method is discussed, thus establishing an analytic approach for determining the most stable glass in a given alloy system.

  20. Ternary Solid Phase Equilibria in the Systems (Ag,In,Au)-(Cd,He)-Te

    DTIC Science & Technology

    1988-07-22

    thermochemnical data. In closed thermodynamic systems Ag,In, and Au were shown to be stable with respect to stoichiometric CdTe and Ag, In reactive towards...compositions within Codes Avail and/or 2lit Specilal the six ternary systems. Thermodynamic calculations were performed using the data collected in... Thermodynamic Properties of the Elements, (Amer.Chem.Soc., Washington, D.C., 1956) 11) John H. Pugh, Masters Thesis, UCLA, 1986-unpublished. 12) W.G

  1. Phase equilibria, formation, crystal and electronic structure of ternary compounds in Ti-Ni-Sn and Ti-Ni-Sb ternary systems

    SciTech Connect

    Romaka, V.V.; Rogl, P.; Romaka, L.; Stadnyk, Yu.; Melnychenko, N.; Grytsiv, A.; Falmbigl, M.; Skryabina, N.

    2013-01-15

    The phase equilibria of the Ti-Ni-Sn and Ti-Ni-Sb ternary systems have been studied in the whole concentration range by means of X-ray and EPM analyses at 1073 K and 873 K, respectively. Four ternary intermetallic compounds TiNiSn (MgAgAs-type), TiNi{sub 2-x}Sn (MnCu{sub 2}Al-type), Ti{sub 2}Ni{sub 2}Sn (U{sub 2}Pt{sub 2}Sn-type), and Ti{sub 5}NiSn{sub 3} (Hf{sub 5}CuSn{sub 3}-type) are formed in Ti-Ni-Sn system at 1073 K. The TiNi{sub 2}Sn stannide is characterized by homogeneity in the range of 50-47 at% of Ni. The Ti-Ni-Sb ternary system at 873 K is characterized by formation of three ternary intermetallic compounds, Ti{sub 0.8}NiSb (MgAgAs-type), Ti{sub 5}Ni{sub 0.45}Sb{sub 2.55} (W{sub 5}Si{sub 3}-type), and Ti{sub 5}NiSb{sub 3} (Hf{sub 5}CuSn{sub 3}-type). The solubility of Ni in Ti{sub 0.8}NiSb decreases number of vacancies in Ti site up to Ti{sub 0.91}Ni{sub 1.1}Sb composition. - Graphical abstract: Isothermal section of the Ti-Ni-Sn phase diagram and DOS distribution in hypothetical TiNi{sub 1+x}Sn solid solution. Highlights: Black-Right-Pointing-Pointer Ti-Ni-Sn phase diagram was constructed at 1073 K. Black-Right-Pointing-Pointer Four ternary compounds are formed: TiNiSn, TiNi{sub 2-x}Sn, Ti{sub 2}Ni{sub 2}Sn, and Ti{sub 5}NiSn{sub 3}. Black-Right-Pointing-Pointer Three ternary compounds exist in Ti-Ni-Sb system at 873 K. Black-Right-Pointing-Pointer The TiNi{sub 2}Sb compound is absent.

  2. Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - I. A ternary Bragg-Williams ordering model

    USGS Publications Warehouse

    McSwiggen, P.L.

    1993-01-01

    The minerals of the ternary carbonate system CaCO3 - MgCO3 - FeCO3 represent a complex series of solid solutions and ordering states. An understanding of those complexities requires a solution model that can both duplicate the subsolidus phase relationships and generate correct values for the activities. Such a solution model must account for the changes in the total energy of the system resulting from a change in the ordering state of the individual constituents. Various ordering models have been applied to binary carbonate systems, but no attempts have previously been made to model the ordering in the ternary system. This study derives a new set of equations that allow for the equilibrium degree of order to be calculated for a system involving three cations mixing on two sites, as in the case of the ternary carbonates. The method is based on the Bragg-Williams approach. From the degree of order, the mole fractions of the three cations in each of the two sites can be determined. Once the site occupancies have been established, a Margules-type mixing model can be used to determine the free energy of mixing in the solid solution and therefore the activities of the various components. ?? 1993 Springer-Verlag.

  3. Thermal analysis of tertiary butyl alcohol/sucrose/water ternary system.

    PubMed

    Zuo, Jian-Guo; Hua, Tse-Chao; Liu, Bao-Lin; Zhou, Guo-Yan

    2005-01-01

    The purpose of this work is to investigate the freezing properties of tertiary butyl alcohol (TBA)/sucrose/water ternary system. Differential scanning calorimetry (DSC) is employed to determine the glass transition temperature of the maximally freeze-concentrated solution Tg' and the crystallization (or devitrification) temperature Tr. DSC measurements show that the presence of sucrose hinders the crystallization of TBA during cooling. The residual TBA in the glassy state will cause a decrease in Tg' and will crystallize during heating. An increase in the cooling rate causes a decrease in Tg'. For 10% TBA/10% sucrose/water ternary system, the critical heating rate is approximately 250 degrees C/min. Annealing treatment at temperatures below Tg' causes the crystallization of TBA, which indicates that TBA molecules still have appreciable mobility even at temperatures below Tg'. When the ratio of TBA to sucrose is less than 0.2, TBA cannot crystallize during cooling.

  4. The isothermal section of the Zrsbnd Crsbnd Cu ternary system at 580 °C

    NASA Astrophysics Data System (ADS)

    Tang, Junkai; Liu, Yuqin; Shen, Jianyun

    2016-10-01

    The 580 °C isothermal section of the Zrsbnd Crsbnd Cu ternary system was determined by means of X-ray diffraction, scanning electron microscopy and electron probe microanalysis. This isothermal section contained 10 single-phase regions, 18 two-phase regions and 9 three-phase regions. No ternary compound was found at 580 °C in the system. The solubility of Cu in the ZrCr2 cubic Laves C15 phase and the solubility of Cr and Cu in the terminal α-Zr solid solution phase were determined. The site occupation of element Cu in the ZrCr2 cubic Laves C15 phase was determined by Rietveld refinement. The Cu prefers to occupy the position of Cr. The CuZr phase, which is not stable at 580 °C in the binary Cusbnd Zr system, was confirmed to exist at this temperature in the Zrsbnd Crsbnd Cu ternary system. This is probably due to that the dissolving of Cr in the CuZr phase increases its thermodynamic stability.

  5. Activity Coefficient Derivatives of Ternary Systems Based on Scatchard's Neutral Electrolyte description

    SciTech Connect

    Miller, D G

    2007-05-16

    Activity coefficient derivatives with respect to molality are presented for the Scatchard Neutral Electrolyte description of a ternary common-ion electrolyte system. These quantities are needed for the calculation of 'diffusion Onsager coefficients' and in turn for tests of the Onsager Reciprocal Relations in diffusion. The usually-omitted b{sub 23} term is included. The direct SNE binary approximations and a further approximation are discussed. Binary evaluation strategies other than constant ionic strength are considered.

  6. A Ternary Catalytic System for the Room Temperature Suzuki-Miyaura Reaction in Water

    PubMed Central

    Silva, Aires da Conceição; Senra, Jaqueline Dias; de Souza, Andréa Luzia Ferreira; Brum Malta, Luiz Fernando

    2013-01-01

    The formation of Pd(0) in the absence of any classical reducing agent in a medium containing Mg2+/Al3+ layered double hydroxide (LDH) and N,N-dimethylformamide was evidenced. XRD analysis showed the presence of crystalline phases of palladium in the Pd/LDH composite. Suzuki-Miyaura reactions in aqueous medium were carried out at room temperature, and good yields were obtained with bromoarenes and iodoarenes using the ternary system LDH-Pd-CD (cyclodextrin) as catalyst. PMID:24288484

  7. First principles total energy study of NbCr{sub 2} + V Laves phase ternary system

    SciTech Connect

    Ormeci, A.; Chen, S.P.; Wills, J.M.; Albers, R.C.

    1999-04-01

    The C15 NbCr{sub 2} + V Laves phase ternary system is studied by using a first-principles, self-consistent, full-potential total energy method. Equilibrium lattice parameters, cohesive energies, density of states and formation energies of substitutional defects are calculated. Results of all these calculations show that in the C15 NbCr{sub 2} + V compounds, V atoms substitute Cr atoms only.

  8. Composition dependences of thermodynamical properties associated with Pb-free ternary, quaternary, and quinary solder systems

    NASA Astrophysics Data System (ADS)

    Dogan, A.; Arslan, H.

    2016-05-01

    In the present study, Chou's General Solution Model (GSM) has been used to predict the enthalpy and partial enthalpies of mixing of the liquid Ag-In-Sn ternary, Ag-In-Sn-Zn quaternary, and Ag-Au-In-Sn-Zn quinary systems. These are of technical importance to optimize lead-free solder alloys, in selected cross-sections: x In/ x Sn = 0.5/0.5 (ternary), Au-In0.1-Sn0.8-Zn0.1, Ag-In0.1-Sn0.8-Zn0.1 (quaternary), and t = x Au/ x In = 1, x In = x Sn = x Zn (quinary) at 1173, 773, and 773 K, respectively. Moreover, the activity of In content in the ternary alloy system Ag-In-Sn has been calculated and its result is compared with that determined from the experiment, while the activities of Ag contents associated with the alloys mentioned above have been calculated. The other traditional models such as of Colinet, Kohler, Muggianu, Toop, and Hillert are also included in calculations. Comparing those calculated from the proposed GSM with those determined from experimental measurements, it is seen that this model becomes considerably realistic in computerization for estimating thermodynamic properties in multicomponent systems.

  9. Solid-liquid equilibria in the ternary system NaBr-KBr-H2O at 398 K

    NASA Astrophysics Data System (ADS)

    Cui, Rui-Zhi; Zhang, Ting-Ting; Wang, Wei; Sang, Shi-Hua

    2017-09-01

    The solubilities of the ternary system NaBr-KBr-H2O were investigated by isothermal method at 398 K. On the basis of the experimental data, the phase diagram was plotted. In the phase diagram of ternary system NaBr-KBr-H2O at 398 K, no complex salt or solid solution was found. It belongs to simple co-saturation type. There are only one invariant point, two univariant curves, and two crystallization fields corresponding to NaBr and KBr. Using the equilibrium solubilities data of the ternary system at 398 K, mixing ioninteraction parameter ΨNa,K,Br of Pitzer's equation was fitted by multiple linear regression method. Based on the Pitzer model and its extended Harvie-Weare (HW) model, the solubilities of phase equilibrium in the ternary system NaBr-KBr-H2O at 398 K were calculated. The phase diagram of the ternary system was plotted. The results show that calculated values have a good agreement with measured experimental data. It can demonstrate the accuracy of the experimental data, and it also shows that reasonable parameters of the Pitzer model can be used in ternary system NaBr-KBr-H2O at 398 K.

  10. Rapid structural mapping of ternary metallic alloy systems using the combinatorial approach and cluster analysis.

    PubMed

    Long, C J; Hattrick-Simpers, J; Murakami, M; Srivastava, R C; Takeuchi, I; Karen, V L; Li, X

    2007-07-01

    We are developing a procedure for the quick identification of structural phases in thin film composition spread experiments which map large fractions of compositional phase diagrams of ternary metallic alloy systems. An in-house scanning x-ray microdiffractometer is used to obtain x-ray spectra from 273 different compositions on a single composition spread library. A cluster analysis software is then used to sort the spectra into groups in order to rapidly discover the distribution of phases on the ternary diagram. The most representative pattern of each group is then compared to a database of known structures to identify known phases. Using this method, the arduous analysis and classification of hundreds of spectra is reduced to a much shorter analysis of only a few spectra.

  11. Phase diagram of the Al-Er-Mo ternary system at 873 K

    NASA Astrophysics Data System (ADS)

    Pan, Yanfang; Yang, Wenchao; Tang, Chenghuang; Lan, Yanni; Zhan, Yong Zhong

    2015-11-01

    The phase relationship in the Al-Er-Mo ternary system at 873 K has been investigated based on the equilibrated method mainly by means of X-ray powder diffraction and scanning electron microscopy. The existence of 10 binary compounds and two ternary compounds has been confirmed. The results present that the isothermal section at 873 K is governed by 15 single-phase regions, 29 two-phase regions and 15 three-phase regions. By using the phase-disappearing method, Al8Mo3 has a narrow homogeneity range (from 72 to 73 at% Al), while the homogeneity range of AlMo3 is from 21% to 28.5% at% Al. Also, the maximum solubility of Al in Mo is about 16 at%.

  12. A study of the interactions of ternary surfactant systems at the water-air interface.

    PubMed

    Szymczyk, Katarzyna; Jańczuk, Bronislaw

    2010-02-16

    Surface tension measurements were carried out for the systems containing ternary mixtures of cetyltrimethylammonium bromide (CTAB) and p-(1,1,3,3-tetramethylbutyl)phenoxypoly(ethylene glycols), Triton X-100 (TX100) and Triton X-165 (TX165). The aqueous solution of ternary surfactant mixtures were prepared by adding the third surfactant to the binary mixture of the surfactants where the synergetic effect in the reduction of the surface tension of water were determined to compare the influence of the third surfactants on the adsorption of this binary mixture at the water-air interface. The obtained results and calculations indicate that the synergetic effect in the reduction of the surface tension of water was deepened after adding the third surfactant to the binary mixture at the composition at which this effect was observed. The best synergetic effect in the gamma(LV) reduction was determined on the basis of the values of the molecular interaction parameter for aqueous solutions of ternary mixtures of CTAB+TX165 (alpha CTAB = 0.2) (gamma(LV) = 50 mN/m, C = 4.3 x 10(-5) M) +TX100 (C=10(8)-10(-2) M).

  13. Phase Equilibria of Ternary and Quaternary Systems Containing Diethyl Carbonate with Water.

    PubMed

    Chen, Yao; Wen, Caiyu; Zhou, Xiaoming; Zeng, Jun

    2014-01-01

    In this study liquid phase equilibrium compositions were measured at 298.15 K under atmospheric pressure for (water + propan-1-ol + diethyl carbonate (DEC) + benzene or cyclohexane or heptane) quaternary systems and (water + DEC + propan-1-ol or benzene or cyclohexane) ternary systems. Good correlation of the experimental LLE data was seen for the measured systems by both modified and extended UNIQUAC models. The solubility of DEC in aqueous and organic phases is shown by equilibrium distribution coefficients calculated from the LLE data.

  14. Ice Melting in the Ammonium Sulfate/Malonic Acid/Water Ternary System

    NASA Astrophysics Data System (ADS)

    Beyer, K. D.; Schroeder, J.

    2008-12-01

    The low temperature phase diagram of ammonium sulfate/malonic acid/water has been investigated using differential scanning calorimetry (DSC) and FTIR of thin films. It is seen that the minimum ice melting point lowers from approximately 254 K in the individual binary systems (malonic acid/water, ammonium sulfate/water) to 242 K in the ternary system. In addition, we have utilized a new technique to measure deliquescence relative humidities at low temperatures for this and other atmospherically relevant aqueous systems. The Humidity-controlled Thermogravimetric Analyser (HTGA) will be described and sample results discussed.

  15. Spatial inhomogeneity in crystalline materials and saddle-type congruent melting points in ternary systems

    NASA Astrophysics Data System (ADS)

    Fedorov, P. P.; Buchinskaya, Irina I.

    2012-01-01

    Solidification of multicomponent melts to solid solutions is considered in terms of thermodynamic topological analysis. The use of phase portraits of systems for finding congruent melting points (invariant points) is discussed. Methods for predicting the existence of invariant points in ternary systems are considered. An example analysis is presented for two series of fluoride systems (CaF2-SrF2-RF3 and SrF2-BaF2-RF3, where R are rare-earth elements). The stability of melt crystallization in the vicinity of congruent melting singular points of solid solutions is discussed. The bibliography includes 104 references.

  16. Preparation of meloxicam-β-cyclodextrin-polyethylene glycol 6000 ternary system: characterization, in vitro and in vivo bioavailability.

    PubMed

    Radia, Ourezki; Rogalska, Ewa; Moulay-Hassane, Guermouche

    2012-01-01

    Ternary complexes of meloxicam (ML), a poorly water-soluble anti-inflammatory drug, with β-cyclodextrin (βCD) and polyethylene glycol (PEG) 6000 were prepared from an equimolar (ML-βCD) and 10% of PEG. Characterization of the ternary complex was carried out by differential scanning calorimetry and X-ray diffractometry. The solubility of ML increased as a function of increasing the concentration of βCD and PEG 6000. Ternary system increased significantly ML solubility in water. Ternary complexes improved drug release compared with ML and ML-βCD. The oral bioavailability of ML-βCD-PEG was investigated by administration to rat and compared with ML and ML-βCD. The results confirmed that the oral bioavailability of ML was significantly improved by complexation with βCD in the presence of PEG.

  17. An Appraisal of the Ternary System BaO-CaO-Al2O3.

    DTIC Science & Technology

    1980-10-01

    Sulla Zona Piu Basica del Sistema Ossido di Bario-Allumina," Ann. Chim. (Rome) 61, 822-31 (1971). 8. P. -Appendino, "Research On The Ternary Calcium...Oxide - Barium Oxide - Alumina System," in Italian, "Ricerche Sul Sistema Ternario Calce-Ossido di Bario-Allumina," text in Italian and English...System," in Italian, "Ricerche sul Sistema Calce-Ossido di Bario - Allumina," Ann. Chim. 52, 785-94 (1962). 12. A.A. ?aklatov and E.P. Ostapchenko

  18. Ternary particles for effective vaccine delivery to the pulmonary system

    NASA Astrophysics Data System (ADS)

    Terry, Treniece La'shay

    Progress in the fields of molecular biology and genomics has provided great insight into the pathogenesis of disease and the defense mechanisms of the immune system. This knowledge has lead to the classification of an array of abnormal genes, for which, treatment relies on cellular expression of proteins. The utility of DNA-based vaccines hold great promise for the treatment of genetically based and infectious diseases, which ranges from hemophilia, cystic fibrosis, and HIV. Synthetic delivery systems consisting of cationic polymers, such as polyethylenimine (PEI), are capable of condensing DNA into compact structures, maximizing cellular uptake of DNA and yielding high levels of protein expression. To date, short term expression is a major obstacle in the development of gene therapies and has halted their expansion in clinical applications. This study intends to develop a sustained release vaccine delivery system using PLA-PEG block copolymers encapsulating PEI:DNA polyplexes. To enhance the effectiveness of such DNA-based vaccines, resident antigen presenting cells, macrophages and dendritic cells, will be targeted within the alveoli regions of the lungs. Porous microspheres will be engineered with aerodynamic properties capable of achieving deep lung deposition. A fabrication technique using concentric nozzles will be developed to produce porous microspheres. It was observed that modifications in the dispersed to continuous phase ratios have the largest influence on particle size distributions, release rates and encapsulation efficiency which ranged form 80--95% with fourteen days of release. Amphiphilic block copolymers were also used to fabricate porous microspheres. The confirmation of PEG within the biodegradable polymer backbone was found to have a tremendous impact on the microsphere morphology and encapsulation efficiency which varied from 50--90%. Porous microspheres were capable of providing sustained gene expression when tested in vitro using the

  19. Bergman Clusters, Multiple Bonds, and Defect Planes: Synthetic Outcomes of Chemical Frustration in Ternary Intermetallic Systems

    NASA Astrophysics Data System (ADS)

    Hadler, Amelia Beth

    Intermetallics crystallize in a variety of complex structures, many of which show unusual bonding or intriguing properties. Understanding what factors drive this structural chemistry would be a valuable step towards designing new intermetallics with specific structures or properties. One pathway towards understanding and predicting the structures of complex intermetallics is chemical frustration, a design tool which harnesses competition between incompatible bonding or packing modes to induce complexity in ternary intermetallic systems. The research outlined in this thesis focuses on developing chemical frustration through exploratory synthesis in ternary systems designed to induce frustration between the tetrahedral close packing of many intermetallics and the simple cubic packing seen for ionic salts or elemental metals. Syntheses in three systems yielded six new ternary intermetallics, four of which crystallize in novel structure types. Three were discovered in the Ca-Cu-Cd system: Ca5Cu2Cd and Ca2Cu 2Cd9, which adopt ternary variants of binary structures, and Ca10Cu2Cd27, which crystallizes in a new structure built from Bergman clusters. All three structures can be traced to electronic packing frustration induced by the similar electronegativities but different metallic radii of Cu and Cd. The Gd-Fe-C system yielded the new carbometalate Gd13Fe 10C13 and an oxycarbide derivative. These phases crystallize in structures built from Gd tricapped trigonal prisms interpenetrated by an Fe-C network. Theoretical analyses reveal that Fe-Fe and Fe-C multiple bonding is found throughout this network. A theoretical investigation of similar carbides uncovers additional metal-metal, metal-carbon, and carbon-carbon multiple bonding. This unusual bonding stabilizes the carbides by satisfying preferred electron counts for their transition metal sites. One new phase, Mg4.5Pd5Ge1.5, was found in the Mg-Pd-Ge system. Its structure is closely related to the CsCl-type structure of

  20. Synthesis and crystal structure investigations of ternary oxides in the Na-Pu-O system

    NASA Astrophysics Data System (ADS)

    Bykov, D. M.; Raison, P. E.; Konings, R. J. M.; Apostolidis, C.; Orlova, M.

    2015-02-01

    Ternary oxides of sodium and plutonium in oxidation states from +4 to +7 have been synthesized by solid state reactions at elevated temperatures in pure argon or oxygen atmospheres. Crystal structures of the obtained phases have been investigated by the Rietveld method using conventional X-ray powder diffraction technique. The structural analogs were found among the families of complex oxides of alkali elements and cerium, ruthenium, antimony, uranium/neptunium and osmium. The new results were compared to earlier literature data for the Na-Pu-O system.

  1. Compositional trends of radiation-induced effects in ternary systems of chalcogenide glasses

    NASA Astrophysics Data System (ADS)

    Kovalskiy, A.

    2003-01-01

    The effect of gamma-irradiation on the optical transmittance spectra of pseudobinary stoichiometric and non-stoichiometric cuts of ternary systems of chalcogenide glasses was studied. The application of chemical-bond approach is proposed to explain the features of compositional dependencies of radiation-induced effects in these materials. It is shown that free volume concept must be taken into consideration at the presence of different radiation-sensitive structural units. The creation processes of coordination defects connected with the formation of free volume and coupled with the capability of the constituent atoms to passivation are the main factors determining the magnitude of the radiation-induced effects in chalcogenide glasses.

  2. New real ternary and pseudoternary phases in the Li-Au-In system

    SciTech Connect

    Dmytriv, G.S.; Pavlyuk, V.V.; Pauly, H.; Eckert, J.; Ehrenberg, H.

    2011-05-15

    Two real ternary lithium gold indides LiAu{sub 2}In and Li{sub 280}Au{sub 22}In{sub 130} (Li{sub 0.65}Au{sub 0.05}In{sub 0.30}) were found in the Li-Au-In system. They are isostructural to the respective Ag-alloys. LiAu{sub 2}In crystallizes in the MnCu{sub 2}Al-type structure (Fm-3m, Heusler phase, a=6.4982(8) A, based on single crystal XRD-data) and Li{sub 280}Au{sub 22}In{sub 130} in the Li{sub 278}Ag{sub 40}In{sub 114}-type structure (F-43m, a=19.9970(2) A, based on powder XRD-data). The analogy of the two ternary systems Li-Au-In and Li-Ag-In is additionally reaffirmed by the wide homogeneity range of the pseudoternary solid solution with NaTl-type structure (Zintl phase),which expands not only in the direction of the quasibinary cut Li(Au{sub x}In{sub 1-x}) with 0{<=}x{<=}0.5, but also into the directions of both higher and lower Li-concentrations. -- Graphical abstract: Two real ternary compounds (1: Heusler phase, 2: n=6 variant of a cubic nxnxn W-type superstructure) together with one pseudoternary compound (3: Zintl phase with its broad homogeneity range). Display Omitted Highlights: {yields} 'Real' ternary phases were found in the Li-Au-In systems: LiAu{sub 2}In and Li{sub 280}Au{sub 22}In{sub 130}. {yields} The homogeneity range of 'pseudoternary' Li(Au{sub x}In{sub 1-x}) extends to the binary phase x=0. {yields} The three-element sets, both Li, Au, In and Li, Ag, In, are compound formers*. (*in the definition of Villars et al., J. Alloys Compd. 317-318, 2001, 26).

  3. Enantiomeric 3-chloromandelic acid system: binary melting point phase diagram, ternary solubility phase diagrams and polymorphism.

    PubMed

    Le Minh, Tam; von Langermann, Jan; Lorenz, Heike; Seidel-Morgenstern, Andreas

    2010-09-01

    A systematic study of binary melting point and ternary solubility phase diagrams of the enantiomeric 3-chloromandelic acid (3-ClMA) system was performed under consideration of polymorphism. The melting point phase diagram was measured by means of thermal analysis, that is, using heat-flux differential scanning calorimetry (DSC). The results reveal that 3-ClMA belongs to the racemic compound-forming systems. Polymorphism was found for both the enantiomer and the racemate as confirmed by X-ray powder diffraction analysis. The ternary solubility phase diagram of 3-ClMA in water was determined between 5 and 50 degrees C by the classical isothermal technique. The solubilities of the pure enantiomers are extremely temperature-dependent. The solid-liquid equilibria of racemic 3-ClMA are not trivial due to the existence of polymorphism. The eutectic composition in the chiral system changes as a function of temperature. Further, solubility data in the alternative solvent toluene are also presented.

  4. Modification of both d33 and TC in a potassium-sodium niobate ternary system.

    PubMed

    Wu, Bo; Wu, Jiagang; Xiao, Dingquan; Zhu, Jianguo

    2015-12-28

    In this work, we simultaneously achieved a giant d33 and a high TC in a lead-free piezoelectric ternary system of (1-x-y)K0.48Na0.52NbO3-xBiFeO3-yBi0.5Na0.5ZrO3 {(1-x-y)KNN-xBF-yBNZ}. Owing to the rhombohedral-orthorhombic-tetragonal (R-O-T) phase coexistence and the enhanced dielectric and ferroelectric properties, the ceramics with a composition of (x = 0.006, y = 0.04) show a giant d33 of ∼428 pC N(-1) together with a TC of ∼318 °C, thereby proving that the design of ternary systems is an effective way to achieve both high d33 and high TC in KNN-based materials. In addition, a good thermal stability for piezoelectricity was also observed in these ceramics (e.g., d33 > 390 pC N(-1), T ≤ 300 °C). This is the first time such a good comprehensive performance in potassium-sodium niobate materials has been obtained. As a result, we believe that this type of material system with both giant d33 and high TC is a promising candidate for high-temperature piezoelectric devices.

  5. Controlling the physics and chemistry of binary and ternary praseodymium and cerium oxide systems.

    PubMed

    Niu, Gang; Zoellner, Marvin Hartwig; Schroeder, Thomas; Schaefer, Andreas; Jhang, Jin-Hao; Zielasek, Volkmar; Bäumer, Marcus; Wilkens, Henrik; Wollschläger, Joachim; Olbrich, Reinhard; Lammers, Christian; Reichling, Michael

    2015-10-14

    Rare earth praseodymium and cerium oxides have attracted intense research interest in the last few decades, due to their intriguing chemical and physical characteristics. An understanding of the correlation between structure and properties, in particular the surface chemistry, is urgently required for their application in microelectronics, catalysis, optics and other fields. Such an understanding is, however, hampered by the complexity of rare earth oxide materials and experimental methods for their characterisation. Here, we report recent progress in studying high-quality, single crystalline, praseodymium and cerium oxide films as well as ternary alloys grown on Si(111) substrates. Using these well-defined systems and based on a systematic multi-technique surface science approach, the corresponding physical and chemical properties, such as the surface structure, the surface morphology, the bulk-surface interaction and the oxygen storage/release capability, are explored in detail. We show that specifically the crystalline structure and the oxygen stoichiometry of the oxide thin films can be well controlled by the film preparation method. This work leads to a comprehensive understanding of the properties of rare earth oxides and highlights the applications of these versatile materials. Furthermore, methanol adsorption studies are performed on binary and ternary rare earth oxide thin films, demonstrating the feasibility of employing such systems for model catalytic studies. Specifically for ceria systems, we find considerable stability against normal environmental conditions so that they can be considered as a "materials bridge" between surface science models and real catalysts.

  6. The ternary system K2SO4MgSO4CaSO4

    USGS Publications Warehouse

    Rowe, J.J.; Morey, G.W.; Silber, C.C.

    1967-01-01

    Melting and subsolidus relations in the system K2SO4MgSO4CaSO4 were studied using heating-cooling curves, differential thermal analysis, optics, X-ray diffraction at room and high temperatures and by quenching techniques. Previous investigators were unable to study the binary MgSO4CaSO4 system and the adjacent area in the ternary system because of the decomposition of MgSO4 and CaSO4 at high temperatures. This problem was partly overcome by a novel sealed-tube quenching method, by hydrothermal synthesis, and by long-time heating in the solidus. As a result of this study, we found: (1) a new compound, CaSO4??3MgSO4 (m.p. 1201??C) with a field extending into the ternary system; (2) a high temperature form of MgSO4 with a sluggishly reversible inversion. An X-ray diffraction pattern for this polymorphic form is given; (3) the inversion of ??-CaSO4 (anhydrite) to ??-CaSO4 at 1195??C, in agreement with grahmann; (1) (4) the melting point of MgSO4 is 1136??C and that of CaSO4 is 1462??C (using sealed tube methods to prevent decomposition of the sulphates); (5) calcium langbeinite (K2SO4??2CaSO4) is the only compound in the K2SO4CaSO4 binary system. This resolved discrepancies in the results of previous investigators; (6) a continuous solid solution series between congruently melting K2SOP4??2MgSO4 (langbeinite) and incongruently melting K2SO4??2CaSO4 (calcium langbeinite); (7) the liquidus in the ternary system consists of primary phase fields of K2SO4, MgSO4, CaSO4, langbeinite-calcium langbeinite solid solution, and CaSO4??3MgSO4. The CaSO4 field extends over a large portion of the system. Previously reported fields for the compounds (K2SO4??MgSO4??nCaSO4), K2SO4??3CaSO4 and K2SO4??CaSO4 were not found; (8) a minimum in the ternary system at: 740??C, 25% MgSO4, 6% CaSO4, 69% K2SO4; and ternary eutectics at 882??C, 49% MgSO4, 19% CaSO4, 32% K2SO4; and 880??, 67??5% MgSO4, 5% CaSO4, 27??5% K2SO4. ?? 1967.

  7. Study of Unstirred Ternary Non-Ionic Solutions Transport in a Double-Membrane System

    NASA Astrophysics Data System (ADS)

    Ślęzak, A.; Grzegorczyn, S.

    1999-12-01

    Non-equilibrium thermodynamic model equations describing transport properties of non-ionic and heterogeneous n-component solutions have been studied in a double-membrane system. The system is composed of two complexes: boundary layer/membrane/boundary layer. Definitions of hydraulic permeability ( p), reflection (σ¯ *) and diffusive permeability (Ω¯) coefficients of the double-membrane system and relations between the coefficients of the double-membrane system ( p, σ¯ *, Ω¯) and the respective quantities of the single membranes of the system (L p, σ*, Ω) are given. The validity of the model has been checked in the case of binary and ternary solutions, using a membrane cell with horizontally mounted membranes. The diffusive permeability and reflection coefficients were determined as functions of solution concentration and gravitational configuration.

  8. Three-phase equilibria in the binary system ethylene + eicosane and the ternary system propane + ethylene + eicosane

    SciTech Connect

    Gregorowicz, J.; Loos, T.W. de; Arons, J. . Lab. of Applied Thermodyanamics and Phase Equilibria)

    1993-07-01

    The solid eicosane-liquid-vapor (SLV) phase behavior in the binary system ethylene + eicosane was investigated. It was found that the SLV curve ends at a critical end point where liquid and vapor are critical in the presence of pure solid eicosane. In this binary system liquid-liquid-vapor (LLV) equilibria are metastable with respect to solid formation. Addition of propane to mixtures of ethylene and eicosane revealed stable LLV equlibria. P-T sections for seven ternary mixtures with different propane and eicosane concentrations were determined according to the synthetic method. On the basis of the results obtained, a rough estimate of the ternary tricritical point and the metastable binary LLV curve is performed.

  9. Phase equilibria of the Cu-Sn-Ti ternary system at 823K

    NASA Astrophysics Data System (ADS)

    Zhou, Guo-jun; Zhou, Yong; Luo, Yun

    2017-02-01

    The isothermal section in the Cu-Sn enrich part of the Cu-Sn-Ti ternary system at 823K was determined by using solid-solid-liquid diffusion triple approach. One ternary compound CuSnTi was found, and 12 three-phase fields were detected. The following 10 three-phase regions are well established: CuTi2+CuTi+Sn5Ti6, Sn5Ti6+Sn3Ti2+ CuSnTi, Liquid+Sn3Ti2+CuSnTi, Liquid+CuSnTi+Cu3Sn, CuTi+Cu4Ti3+Sn5Ti6, CuSnTi+Cu4Ti3+Sn5Ti6, CuSnTi+Cu3Sn+Cu41Sn11, CuSnTi+Cu41Sn11+Bcc_a2, CuSnTi+Cu4Ti+Cu, and CuSnTi+Bcc_a2+Cu. Phase relations in the Ti-enrich corner of this system require further investigation.

  10. Ternary hybrid systems of P3HT-CdSe-WS₂ nanotubes for photovoltaic applications.

    PubMed

    Bruno, A; Borriello, C; Haque, S A; Minarini, C; Di Luccio, T

    2014-09-07

    Hybrid heterojunctions of conjugated polymers and inorganic nanomaterials are a promising combination for obtaining high performance solar cells (SC). In this work we have explored new possible uses of the WS2 nanotubes (NTs) both as the only acceptor material blended with a polymer and in ternary systems mixed with a polymer and quantum dots (QDs). In particular we have spectroscopically investigated binary blends of poly(3-hexylthiophene) (P3HT) and WS2 NTs, P3HT and CdSe QDs, and ternary blends of P3HT, CdSe QDs and WS2 NTs. We report fluorescence quenching effects of the QD signal in the P3HT-CdSe-WS2 system with the increase of NT concentration. Static and time-resolved fluorescence studies reveal efficient resonant energy transfer from the QDs to the NTs upon photoexcitation. The evidence of energetic interaction between WS2 NTs and QDs opens new fields of application of WS2 NTs and holds very promising potential for improving charge transfer phenomena in the active layer of hybrid solar cells.

  11. New real ternary and pseudoternary phases in the Li-Au-In system

    NASA Astrophysics Data System (ADS)

    Dmytriv, G. S.; Pavlyuk, V. V.; Pauly, H.; Eckert, J.; Ehrenberg, H.

    2011-05-01

    Two real ternary lithium gold indides LiAu 2In and Li 280Au 22In 130 (Li 0.65Au 0.05In 0.30) were found in the Li-Au-In system. They are isostructural to the respective Ag-alloys. LiAu 2In crystallizes in the MnCu 2Al-type structure ( Fm-3 m, Heusler phase, a=6.4982(8) Å, based on single crystal XRD-data) and Li 280Au 22In 130 in the Li 278Ag 40In 114-type structure ( F-43 m, a=19.9970(2) Å, based on powder XRD-data). The analogy of the two ternary systems Li-Au-In and Li-Ag-In is additionally reaffirmed by the wide homogeneity range of the pseudoternary solid solution with NaTl-type structure (Zintl phase),which expands not only in the direction of the quasibinary cut Li(Au xIn 1- x) with 0≤ x≤0.5, but also into the directions of both higher and lower Li-concentrations.

  12. Ternary system of dihydroartemisinin with hydroxypropyl-β-cyclodextrin and lecithin: simultaneous enhancement of drug solubility and stability in aqueous solutions.

    PubMed

    Wang, Dan; Li, Haiyan; Gu, Jingkai; Guo, Tao; Yang, Shuo; Guo, Zhen; Zhang, Xueju; Zhu, Weifeng; Zhang, Jiwen

    2013-09-01

    The purpose of this study was to simultaneously improve the solubility and stability of dihydroartemisinin (DHA) in aqueous solutions by a ternary cyclodextrin system comprised of DHA, hydroxypropyl-β-cyclodextrin (HP-β-CD) and a third auxiliary substance. Solubility and phase solubility studies were carried out to evaluate the solubilizing efficiency of HP-β-CD in association with various auxiliary substances. Then, the solid binary (DHA-HP-β-CD or DHA-lecithin) and ternary systems were prepared and characterized by Fourier transform infrared (FT-IR), differential scanning calorimetry (DSC) and power X-ray diffraction (PXRD). The effect of the ternary system on the solubility, dissolution and stability of DHA in aqueous solutions was also investigated. As a result, the soybean lecithin was found to be the most promising third component in terms of solubility enhancement. For the solid characterization, the disappearance of the drug crystallinity indicated the formation of new solid phases, implicating the formation of the ternary system. The dissolution rate of the solid ternary system was much faster than that of the drug alone and binary systems. Importantly, compared with binary systems, the ternary system showed a significant improvement in the stability of DHA in Hank's balanced salt solutions (pH 7.4). The solubility and stability of DHA in aqueous solutions were simultaneously enhanced by the ternary system, which might be attributed to the possible formation of a ternary complex. For the ternary interactions, results of molecular docking studies further indicated that the lecithin covered the top of the wide rim of HP-β-CD and surrounded around the peroxide bridging of DHA, providing the possibility for the ternary complex formation. In summary, the ternary system prepared in our study, with simultaneous enhancement of DHA solubility and stability in aqueous solutions, might have an important pharmaceutical potential in the development of a better

  13. Experimental measurements of vapor-liquid equilibria of the H2O + CO2 + CH4 ternary system

    USGS Publications Warehouse

    Qin, J.; Rosenbauer, R.J.; Duan, Zhenhao

    2008-01-01

    Reported are the experimental measurements on vapor-liquid equilibria in the H2O + CO2 + CH4 ternary system at temperatures from (324 to 375) K and pressures from (10 to 50) MPa. The results indicate that the CH4 solubility in the ternary mixture is about 10 % to 40 % more than that calculated by interpolation from the Henry's law constants of the binary system, H2O + CH4, and the solubility of CO2 is 6 % to 20 % more than what is calculated by the interpolation from the Henry's law constants of the binary mixture, H 2O + CO2. ?? 2008 American Chemical Society.

  14. Study of a ternary blend system for bulk heterojunction thin film solar cells

    NASA Astrophysics Data System (ADS)

    Ahmad, Zubair; Touati, Farid; Shakoor, R. A.; Al-Thani, N. J.

    2016-08-01

    In this research, we report a bulk heterojunction (BHJ) solar cell consisting of a ternary blend system. Poly(3-hexylthiophene) P3HT is used as a donor and [6,6]-phenyl C61-butyric acid methylester (PCBM) plays the role of acceptor whereas vanadyl 2,9,16,23-tetraphenoxy-29H, 31H-phthalocyanine (VOPcPhO) is selected as an ambipolar transport material. The materials are selected and assembled in such a fashion that the generated charge carriers could efficiently be transported rightwards within the blend. The organic BHJ solar cells consist of ITO/PEDOT:PSS/ternary BHJ blend/Al structure. The power conversion efficiencies of the ITO/ PEDOT:PSS/P3HT:PCBM/Al and ITO/PEDOT:PSS/ P3HT:PCBM:VOPcPhO/Al solar cells are found to be 2.3% and 3.4%, respectively. This publication was made possible by PDRA (Grant No. PDRA1-0117-14109) from the Qatar National Research Fund (a member of Qatar Foundation). The findings achieved herein are solely the responsibility of the authors.

  15. Optimized design of recycle chromatography to isolate intermediate retained solutes in ternary mixtures: Langmuir isotherm systems.

    PubMed

    Lee, Ju Weon; Wankat, Phillip C

    2009-10-09

    Batch chromatography with a recycle stream is a popular and simple technique to separate a single target component in a complex mixture with moderate operating conditions. Design of recycle chromatography depends on the retention behaviors of the mixture components. In this work, four nucleosides were considered as solutes. Feed concentration and recycle methods were optimized to isolate only the intermediate retained solute in ternary and pseudo-ternary mixtures. Two recycle methods introduced in our previous work for linear isotherms, the desorbent and feed recycle methods, were compared in terms of productivity and desorbent to feed ratio, D/F, with various feed concentrations for competitive Langmuir isotherm systems. The simulation results show that the target (intermediate retained solute) was separated with over 99.76% purity and 99.88% yield. Productivity of the feed recycle method was increased by up to 162% and D/F was decreased by up to 59% compared to the desorbent recycle method. For the separation of nucleosides, recycle chromatography was compared to eight column simulated moving bed (SMB) cascades with a recycle stream and D/F of the SMB cascades was 58% lower than D/F of recycle chromatography at the same productivity. However, recycle chromatography is much simpler.

  16. PHASE EQUILIBRIA INVESTIGATION OF BINARY, TERNARY, AND HIGHER ORDER SYSTEMS. PART 9. CALCULATION OF THERMODYNAMIC QUANTITIES FROM PHASE DIAGRAMS

    DTIC Science & Technology

    The thermodynamic fundamentals relating phase equilibria in binary and ternary systems to the thermodynamic properties of the phases are reviewed and...system demonstrate the application of the equations for extracting thermodynamic data from phase diagrams and also for the prediction of phase equilibria .

  17. Ostwald ripening growth rate for nonideal systems with significant mutual solubility-II. Ternary systems. Application to liquid phase sintering of W-Ni-Cr

    SciTech Connect

    Chaix, J.M.; Allibert, C.H.

    1986-08-01

    Equilibrium equations are developed to describe local interface curvature effects for a two phase nonideal ternary system. Unlike the binary case, the additional degree of freedom does not permit a unique determination of Ostwald ripening conditions from equilibrium considerations. *The LSW theory is extended to include nonideal solution behavior and solid solubility in a ternary system. Theroetical predictions are compared with experimental data and explain the growth rate dependance on composition.

  18. Novel siRNA delivery system using a ternary polymer complex with strong silencing effect and no cytotoxicity.

    PubMed

    Kodama, Yukinobu; Shiokawa, Yumi; Nakamura, Tadahiro; Kurosaki, Tomoaki; Aki, Keisei; Nakagawa, Hiroo; Muro, Takahiro; Kitahara, Takashi; Higuchi, Norihide; Sasaki, Hitoshi

    2014-01-01

    We developed a novel small interfering RNA (siRNA) delivery system using a ternary complex with polyethyleneimine (PEI) and γ-polyglutamic acid (γ-PGA), which showed silencing effect and no cytotoxicity. The binary complexes of siRNA with PEI were approximately 73-102 nm in particle size and 45-52 mV in ζ-potential. The silencing effect of siRNA/PEI complexes increased with an increase of PEI, and siRNA/PEI complexes with a charge ratio greater than 16 showed significant luciferase knockdown in a mouse colon carcinoma cell line regularly expressing luciferase (Colon26/Luc cells). However, strong cytotoxicity and blood agglutination were observed in the siRNA/Lipofectamine complex and siRNA/PEI16 complex. Recharging cationic complexes with an anionic compound was reported to be a promising method for overcoming these toxicities. We therefore prepared ternary complexes of siRNA with PEI (charge ratio 16) by the addition of γ-PGA to reduce cytotoxicity and deliver siRNA. As expected, the cytotoxicity of the ternary complexes decreased with an increase of γ-PGA content, which decreased the ζ-potential of the complexes. A strong silencing effect comparable to siRNA/Lipofectamine complex was discovered in ternary complexes including γ-PGA with an anionic surface charge. The high incorporation of ternary complexes into Colon26/Luc cells was confirmed with fluorescence microcopy. Having achieved knockdown of an exogenously transfected gene, the ability of the complex to mediate knockdown of an endogenous housekeeping gene, glyceraldehyde 3-phosphate dehydrogenase (GAPDH), was assessed in B16-F10 cells. The ternary complex (siRNA/PEI16/γ-PGA12 complex) exhibited a significant GAPDH knockdown effect. Thus, we developed a useful siRNA delivery system.

  19. Chemical equilibria in the binary and ternary uranyl(VI)-hydroxide-peroxide systems.

    PubMed

    Zanonato, Pier Luigi; Di Bernardo, Plinio; Grenthe, Ingmar

    2012-03-28

    The composition and equilibrium constants of the complexes formed in the binary U(VI)-hydroxide and the ternary U(VI)-hydroxide-peroxide systems have been studied using potentiometric and spectrophotometric data at 25 °C in a 0.100 M tetramethylammonium nitrate medium. The data for the binary U(VI) hydroxide complexes were in good agreement with previous studies. In the ternary system two complexes were identified, [UO(2)(OH)(O(2))](-) and [(UO(2))(2)(OH)(O(2))(2)](-). Under our experimental conditions the former is predominant over a broad p[H(+)] region from 9.5 to 11.5, while the second is found in significant amounts at p[H(+)] < 10.5. The formation of the ternary peroxide complexes results in a strong increase in the molar absorptivity of the test solutions. The absorption spectrum for [(UO(2))(2)(OH)(O(2))(2)](-) was resolved into two components with peaks at 353 and 308 nm with molar absorptivity of 16200 and 20300 M(-1) cm(-1), respectively, suggesting that the electronic transitions are dipole allowed. The molar absorptivity of [(UO(2))(OH)(O(2))](-) at the same wave lengths are significantly lower, but still about one to two orders of magnitude larger than the values for UO(2)(2+)(aq) and the binary uranyl(VI) hydroxide complexes. It is of interest to note that [(UO(2))(OH)(O(2))](-) might be the building block in cluster compounds such as [UO(2)(OH)(O(2))](60)(60-) studied by Burns et al. (P. C. Burns, K. A. Kubatko, G. Sigmon, B. J. Fryer, J. E. Gagnon, M. R. Antonio and L. Soderholm, Angew. Chem. 2005, 117, 2173-2177). Speciation calculations using the known equilibrium constants for the U(vi) hydroxide and peroxide complexes show that the latter are important in alkaline solutions even at very low total concentrations of peroxide, suggesting that they may be involved when the uranium minerals Studtite and meta-Studtite are formed by α-radiolysis of water. Radiolysis will be much larger in repositories for spent nuclear fuel where hydrogen peroxide

  20. On the Growth of Ternary System HNO3/H2SO4/H2O Aerosol Particles in the Stratosphere

    NASA Technical Reports Server (NTRS)

    Hamill, Patrick; Tabazadeh, A.; Kinne, S.; Toon, O. B.; Turco, R. P.

    1996-01-01

    We present a study of the growth of ternary solution (nitric acid, sulfuric acid and water) droplets in the stratosphere. The growth mechanism is hetero-molecular condensation in which the particle is assumed to be in equilibrium with environmental water vapor. Model results are in reasonable agreement with the averaged extinction ratio obtained by the SAM II satellite system.

  1. A high-density ternary barcode detection system employing a stable fixed-period delay method

    NASA Astrophysics Data System (ADS)

    Wakaumi, Hiroo

    2011-09-01

    A fixed-period delay method is proposed to increase the detection range and detection stability of a ternary barcode detection system. The system combines an envelope differential detection technique containing nonlinear filtering and a fixed-period delay to detect the barcode over a longer range and at higher scanning speeds while being simple and capable of handling a large amount of information. The system was demonstrated with its miniaturized circuit, and it was established that the detection range of the system for a minimum bar width W = 0.25 mm was 1.8 times that of the conventional count-latch envelope differential technique because of the stable delay achieved by a shift register and the noise suppression by a nonlinear filter. In addition, the system operated at a maximum scanning speed of 8.3 times that of conventional charge-coupled device cameras under the practical detection range for W = 0.3 mm. This system is expected to facilitate the real-time identification of goods on production lines and in automated warehouses.

  2. A Computationally Efficient Equation of State for Ternary Gas Hydrate Systems

    NASA Astrophysics Data System (ADS)

    White, M. D.

    2012-12-01

    The potential energy resource of natural gas hydrates held in geologic accumulations, using lower volumetric estimates, is sufficient to meet the world demand for natural gas for nearly eight decades, at current rates of increase. As with other unconventional energy resources, the challenge is to economically produce the natural gas fuel. The gas hydrate challenge is principally technical. Meeting that challenge will require innovation, but more importantly, scientific research to understand the resource and its characteristics in porous media. The thermodynamic complexity of gas hydrate systems makes numerical simulation a particularly attractive research tool for understanding production strategies and experimental observations. Simply stated, producing natural gas from gas hydrate deposits requires releasing CH4 from solid gas hydrate. The conventional way to release CH4 is to dissociate the hydrate by changing the pressure and temperature conditions to those where the hydrate is unstable. Alternatively, the guest-molecule exchange technology releases CH4 by replacing it with more thermodynamically stable molecules (e.g., CO2, N2). This technology has three advantageous: 1) it sequesters greenhouse gas, 2) it potentially releases energy via an exothermic reaction, and 3) it retains the hydraulic and mechanical stability of the hydrate reservoir. Numerical simulation of the production of gas hydrates from geologic deposits requires accounting for coupled processes: multifluid flow, mobile and immobile phase appearances and disappearances, heat transfer, and multicomponent thermodynamics. The ternary gas hydrate system comprises five components (i.e., H2O, CH4, CO2, N2, and salt) and the potential for six phases (i.e., aqueous, nonaqueous liquid, gas, hydrate, ice, and precipitated salt). The equation of state for ternary hydrate systems has three requirements: 1) phase occurrence, 2) phase composition, and 3) phase properties. Numerical simulations that predict

  3. Inclusion complex formation of ternary system: Fluoroscein-p-sulfonato calix[4]arene-Cu(2+) by cooperative binding.

    PubMed

    Gawhale, Sharadchandra; Jadhav, Ankita; Rathod, Nilesh; Malkhede, Dipalee; Chaudhari, Gajanan

    2015-09-05

    The aqueous solution of fluorescein-para sulfonato calix[4]arene-metal ion complex has been studied based on absorption, fluorescence, (1)H NMR and FTIR spectroscopic results. It was found that the fluorescence intensity quenched regularly upon addition of pSCX4 and metal ion. The quenching constants and binding constants were determined for pSCX4-FL and pSCX4-FL-Cu(2+) systems. 1:1 stoichiometry is obtained for pSCX4-Cu(2+) system by continuous variation method. The NMR and IR results indicates the interaction among FL, pSCX4 and Cu(2+). The combined results demonstrate the cooperative binding to design the complex for ternary system. The life time for binary and ternary system has been studied. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Statistical thermodynamics of liquid-liquid phase separation in ternary systems during complex coacervation

    NASA Astrophysics Data System (ADS)

    Pawar, Nisha; Bohidar, H. B.

    2010-09-01

    Liquid-liquid phase separation leading to complex coacervation in a ternary system (oppositely charged polyion and macroion in a solvent) is discussed within the framework of a statistical thermodynamics model. The polyion and the macroion in the ternary system interact to form soluble aggregates (complexes) in the solvent, which undergoes liquid-liquid phase separation. Four necessary conditions are shown to drive the phase separation: (i) (σ23)3r/Φ23c≥((64)/(9α2))(χ23Φ3)2 , (ii) r≥[(64(χ23Φ3)2)/(9α2σ233)]1/2 , (iii) χ23≥((2χ231-1))/(Φ23cΦ3) , and (iv) (σ23)2/I≥(8)/(3α)(2χ231-1) (where σ23 is the surface charge on the complex formed due to binding of the polyelectrolyte and macroion, Φ23c is the critical volume fraction of the complex, χ23 is the Flory interaction parameter between polyelectrolyte and macroion, χ231 is the same between solvent and the complex, Φ3 is the volume fraction of the macroions, I is the ionic strength of the solution, α is electrostatic interaction parameter and r is typically of the order of molecular weight of the polyions). It has been shown that coacervation always requires a hydrated medium. In the case of a colloidal macroion and polyelectrolyte coacervation, molecular weight of polyelectrolyte must satisfy the condition r≥103Da to exhibit liquid-liquid phase separation. This model has been successfully applied to study the coacervation phenomenon observed in aqueous Laponite (macroion)-gelatin (polyion) system where it was found that the coacervate volume fraction, δΦ23˜χ2312 (where δΦ23 is the volume fraction of coacervates formed during phase separation). The free energy and entropy of this process have been evaluated, and a free-energy landscape has been drawn for this system that maps the pathway leading to phase separation.

  5. Ternary fission of a heavy nuclear system within a three-center shell model

    NASA Astrophysics Data System (ADS)

    Karpov, A. V.

    2016-12-01

    Background: Since more than 40 years of theoretical and experimental studies of true ternary fission, one is still quite far from its understanding. The true ternary fission channel, being strongly suppressed by the macroscopic properties of the potential energy, may, however, be present with a significant probability due to shell effects. Purpose: Development of a model for the multidimensional potential energy suitable for analysis of the nucleus-nucleus collisions with the possibility of ternary exit channel. Study of the potential possibility of fission of actinides into three heavy fragments. Method: The asymmetric three-center shell model of deformed nucleus is developed in this paper. The model can be applied for analysis of ternary as well as binary fission processes. Results: The potential energy surfaces for few ternary combinations in the fission channel are calculated for the 252Cf nucleus. Their properties are discussed. Conclusions: The potential energy structures are compared with the experimental observations. It was found that the potential energy has pronounced valleys favorable for ternary fission with formation of doubly magic tin as one of the fragments and two other lighter fragments. The positions of the found fission valleys are in a good agreement with the experimental data.

  6. Analysis of the phase solubility diagram of a phenacetin/competitor/beta-cyclodextrin ternary system, involving competitive inclusion complexation.

    PubMed

    Ono, N; Hirayama, F; Arima, H; Uekama, K

    2001-01-01

    The competitive inclusion complexations in the ternary phenacetin/competitors/beta-cyclodextrin (beta-CyD) systems were investigated by the solubility method, where m-bromobenzoic acid (m-BBA) and o-toluic acid (o-TA) were used as competitors. The solubility changes of the drug and competitors as a function of beta-CyD concentration in the ternary systems were formulated using their stability constants and intrinsic solubilities. The decrease in solubility of phenacetin by the addition of competitors could be quantitatively simulated by the formulation, when both drug and competitor give A(L) type solubility diagrams. On the other hand, when one of the guests gives a B(S) type solubility diagram, its solubility change was clearly reflected in that of the another guest, i.e., phenacetin gave an A(L) type solubility diagram in the binary phenacetin/beta-CyD system and o-TA gave a B(S) type diagram in the binary o-TA/beta-CyD system, but in the ternary phenacetin/o-TA/beta-CyD system, a new plateau region appeared in the original A(L) type diagram of phenacetin. This was explained by the solubilization theory of Higuchi and Connors. The solubility analysis of the ternary drug/competitor/CyD systems may be particularly useful for determination of the stability constant of a drug whose physicochemical and spectroscopic analyses are difficult, because they can be calculated by monitoring the solubility change of a competitor, without monitoring that of a drug. Furthermore, the present results suggest that attention should be paid to the type of the phase solubility diagram, as well as the magnitude of the stability constant and the solubility of the complex, for a rational formulation design of CyD complexes.

  7. Critical review of carbon monoxide pressure measurements in the uranium carbon oxygen ternary system

    NASA Astrophysics Data System (ADS)

    Gossé, S.; Guéneau, C.; Chatillon, C.; Chatain, S.

    2006-06-01

    For high temperature reactors (HTR), the high level of fuel operating temperature in normal and accidental conditions requires to predict the possible chemical interactions between the fuel components. Among the concerns of the TRISO fuel particle thermomechanical behavior, it is necessary to better understand the carbon monoxide formation due to chemical interactions at the UO2 kernel and graphite buffer's interface. In a first step, the thermodynamic properties of the U-C-O system have to be assessed. The experimental data from literature on the equilibrium CO gas pressure measurements in the UO2-UC2-C ternary section of the U-C-O system are critically reviewed. Discrepancies between the different determinations can be explained - (i) by the different gaseous flow regimes in the experiments and - (ii) by the location of the measuring pressure gauge away from the reaction site. Experimental values are corrected - (i) from the gaseous flow type (molecular, transition or viscous) defined by the Knudsen number and - (ii) from the thermomolecular effect due to the temperature gradient inside the experimental vessels. Taking account of the selected and corrected values improves greatly the consistency of the original set of measurements.

  8. Direct solid surface fluorescence spectroscopy of standard chemicals and humic acid in ternary system.

    PubMed

    Mounier, S; Nicolodelli, G; Redon, R; Milori, D M B P

    2017-04-15

    The front face fluorescence spectroscopy is often used to quantify chemicals in well-known matrices as it is a rapid and powerful technique, with no sample preparation. However it was not used to investigate extracted organic matter like humic substances. This work aims to fully investigate for the first time front face fluorescence spectroscopy response of a ternary system including boric acid, tryptophan and humic substances, and two binaries system containing quinine sulfate or humic substance in boric acid. Pure chemicals, boric acid, tryptophan, quinine sulfate and humic acid were mixed together in solid pellet at different contents from 0 to 100% in mass. The measurement of excitation emission matrix of fluorescence (3D fluorescence) and laser induced fluorescence were then done in the front face mode. Fluorescence matrices were decomposed using the CP/PARAFAC tools after scattering treatments. Results show that for 3D fluorescence there is no specific component for tryptophan and quinine sulfate, and that humic substances lead to a strong extinction effect for mixture containing quinine sulfate. Laser induced fluorescence gives a very good but non-specific related response for both quinine sulfate and tryptophan. No humic substances fluorescence response was found, but extinction effect is observed as for 3D fluorescence. This effect is stronger for quinine sulfate than for tryptophan. These responses were modeled using a simple absorbance versus emission model.

  9. Direct solid surface fluorescence spectroscopy of standard chemicals and humic acid in ternary system

    NASA Astrophysics Data System (ADS)

    Mounier, S.; Nicolodelli, G.; Redon, R.; Milori, D. M. B. P.

    2017-04-01

    The front face fluorescence spectroscopy is often used to quantify chemicals in well-known matrices as it is a rapid and powerful technique, with no sample preparation. However it was not used to investigate extracted organic matter like humic substances. This work aims to fully investigate for the first time front face fluorescence spectroscopy response of a ternary system including boric acid, tryptophan and humic substances, and two binaries system containing quinine sulfate or humic substance in boric acid. Pure chemicals, boric acid, tryptophan, quinine sulfate and humic acid were mixed together in solid pellet at different contents from 0 to 100% in mass. The measurement of excitation emission matrix of fluorescence (3D fluorescence) and laser induced fluorescence were then done in the front face mode. Fluorescence matrices were decomposed using the CP/PARAFAC tools after scattering treatments. Results show that for 3D fluorescence there is no specific component for tryptophan and quinine sulfate, and that humic substances lead to a strong extinction effect for mixture containing quinine sulfate. Laser induced fluorescence gives a very good but non-specific related response for both quinine sulfate and tryptophan. No humic substances fluorescence response was found, but extinction effect is observed as for 3D fluorescence. This effect is stronger for quinine sulfate than for tryptophan. These responses were modeled using a simple absorbance versus emission model.

  10. Pourbaix diagrams for the ternary system of iron-chromium-nickel

    SciTech Connect

    Beverskog, B.; Puigdomenech, I.

    1999-11-01

    Pourbaix diagrams (potential-pH diagrams) for the ternary system of Fe-Cr-Ni at 25 C to 300 C were calculated. Extrapolation of thermochemical data to elevated temperatures was performed with the revised model of Helgeson-Kirkham-Flowers, which also allows uncharged aqueous complexes to be handled. The large stability of the bimetallic spinel oxides (trevorite [NiFe{sub 2}O{sub 4}], chromite [FeCr{sub 2}O{sub 4}], and nichromite [NiCr{sub 2}O{sub 4}]) is shown by their predominance areas on top of those for the single metal Pourbaix diagrams. NiFe{sub 2}O{sub 4} had the largest stability area of the spinels, and it covered the entire potential range for the stability of water at intermediate pH. FeCr{sub 2}O{sub 4} had the smallest stability area and was the least stable of the bimetallic spinels. Results were discussed in connection with the different chemistries used in nuclear power reactors of the boiling water type.

  11. Effects of temperature and pressure on phase transitions in a ternary microemulsion system

    NASA Astrophysics Data System (ADS)

    Nagao, Michihiro; Seto, Hideki; Takeda, Takayoshi; Kawabata, Youhei

    2001-12-01

    Temperature variation experiments of small angle neutron scattering (SANS) and neutron spin echo (NSE) were carried out in order to compare effects of temperature and pressure on a structural formation in a ternary microemulsion system composed of AOT (Aerosol-OT; dioctyl sulfosuccinate sodium salt), D2O, and n-decane. From SANS measurements, a phase transition from one-phase dense water-in-oil droplet to two-phase coexistence with a lamellar and a disordered structure was observed with increasing temperature, similar to the case of pressure variation. Another phase transition was observed at a higher temperature above the lamellar phase, although such a subsequent phase transition has not been observed at higher pressure. The characteristic features of structural phase transitions by temperature and by pressure were compared by introducing a reduced temperature and pressure. The dynamical property observed from the NSE measurement was different between the high-temperature phase and the high-pressure phase. These results indicate that the mechanism of the phase transition induced by temperature is different from that by pressure.

  12. Gas-phase ion chemistry in the ternary silane-propyne-phosphine system.

    PubMed

    Operti, Lorenza; Rabezzana, Roberto; Turco, Francesca; Vaglio, Gian Angelo

    2004-06-01

    The gas-phase ion chemistry of propyne-phosphine and silane-propyne-phosphine mixtures was studied by ion trap mass spectrometry. For the binary mixture, the effect of different partial pressures of the reagents on the yield of C and P-containing ions was evaluated. Reaction sequences and rate constants were determined and reaction efficiencies were calculated from comparison of experimental and collisional rate constants. In the ternary silane-propyne-phosphine systems, the reaction pathways leading to formation of Si(m)C(n)P(p)H(q) (+) ions were determined and the rate constants of the most important steps were measured. For some ion species, selected by double isolation procedures (MS/MS), the low ion abundances prevented determination of the reaction rate constants. Si, C and P-containing ions are mainly produced in reactions of Si(m)P(p)H(q) (+) ions with propyne, while the reactivity of the Si(m)C(n)H(q) (+) ions towards PH(3) and of the C(n)P(p)H(q) (+) ions towards SiH(4) is very low. The formation of hydrogenated Si--C--P ions is interesting for their possible role as precursors of amorphous silicon carbides doped with phosphorus, obtained in a single step, by deposition from properly activated silane-propyne-phosphine mixtures. Copyright 2004 John Wiley & Sons, Ltd.

  13. Use of the ternary phase diagram of a mixed cationic/glucopyranoside surfactant system to predict mesostructured silica synthesis.

    PubMed

    Xing, Rong; Rankin, Stephen E

    2007-12-15

    Mixed surfactant systems have the potential to impart controlled combinations of functionality and pore structure to mesoporous metal oxides. Here, we combine a functional glucopyranoside surfactant with a cationic surfactant that readily forms liquid crystalline mesophases. The phase diagram for the ternary system CTAB/H(2)O/n-octyl-beta-D-glucopyranoside (C(8)G(1)) at 50 degrees C is measured using polarized optical microscopy. At this temperature, the binary C(8)G(1)/H(2)O system forms disordered micellar solutions up to 72 wt% C(8)G(1), and there is no hexagonal phase. With the addition of CTAB, we identify a large area of hexagonal phase, as well as cubic, lamellar and solid surfactant phases. The ternary phase diagram is used to predict the synthesis of thick mesoporous silica films via a direct liquid crystal templating technique. By changing the relative concentration of mixed surfactants as well as inorganic precursor species, surfactant/silica mesostructured thick films can be synthesized with variable glucopyranoside content, and with 2D hexagonal, cubic and lamellar structures. The domains over which different mesophases are prepared correspond well with those of the ternary phase diagram if the hydrophilic inorganic species is assumed to act as an equivalent volume of water.

  14. The systems Sr-Zn-{l_brace}Si,Ge{r_brace}: Phase equilibria and crystal structure of ternary phases

    SciTech Connect

    Romaka, V.V.; Falmbigl, M.; Grytsiv, A.; Rogl, P.

    2012-02-15

    Phase relations have been established by electron probe microanalysis (EPMA) and X-ray powder diffraction (XPD) for the Sr-poor part of the ternary systems Sr-Zn-Si at 800 Degree-Sign C and Sr-Zn-Ge at 700 Degree-Sign C. In the Sr-Zn-Si system one new ternary compound SrZn{sub 2+x}Si{sub 2-x} (0{<=}x{<=}0.45) with CeAl{sub 2}Ga{sub 2} structure and a statistical mixture of Zn/Si in the 4e site was found. Neither a type-I nor a type-IX clathrate phase was encountered. This system is characterized by formation of two further phases, i.e. SrZn{sub 1-x}Si{sub 1+x} with ZrBeSi-type (0.16{<=}x{<=}0.22) and SrZn{sub 1-x}Si{sub 1+x} with AlB{sub 2}-type (0.35{<=}x{<=}0.65) with a random distribution of Zn/Si atoms in the 2c site. For the Sr-Zn-Ge system, the homogeneity regions of the isotypic phases SrZn{sub 1-x}Ge{sub 1+x} with ZrBeSi-type (0{<=}x{<=}0.17) and AlB{sub 2}-type (0.32{<=}x{<=}0.56), respectively, have been determined. Whereas the germanide SrZn{sub 2+x}Ge{sub 2-x} (CeAl{sub 2}Ga{sub 2}-type) is characterized by a homogeneity region (0{<=}x{<=}0.5), the clathrate type-I phase Sr{sub 8}Zn{sub 8}Ge{sub 38} shows a point composition. - Graphical abstract: Phase equilibria of ternary compounds in the Sr-Zn-Si-system at 800 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Phase equilibria in the Sr-Zn-Si-system are established at 800 Degree-Sign C. Black-Right-Pointing-Pointer Phase equilibria in the Sr-Zn-Ge-system are established at 700 Degree-Sign C. Black-Right-Pointing-Pointer Crystal structures of the ternary compounds were confirmed by X-ray powder diffraction. Black-Right-Pointing-Pointer All ternary compounds except the clathrate-I in the Ge-system are characterized by a homogeneity region.

  15. Composition optimization and stability testing of a parenteral antifungal solution based on a ternary solvent system.

    PubMed

    Kovács, Kristóf; Antal, István; Stampf, György; Klebovich, Imre; Ludányi, Krisztina

    2010-03-01

    An intravenous solution is a dosage forms intended for administration into the bloodstream. This route is the most rapid and the most bioavailable method of getting drugs into systemic circulation, and therefore it is also the most liable to cause adverse effects. In order to reduce the possibility of side effects and to ensure adequate clinical dosage of the formulation, the primarily formulated composition should be optimized. It is also important that the composition should retain its therapeutic effectiveness and safety throughout the shelf-life of the product. This paper focuses on the optimization and stability testing of a parenteral solution containing miconazole and ketoconazole solubilized with a ternary solvent system as model drugs. Optimization of the solvent system was performed based on assessing the risk/benefit ratio of the composition and its properties upon dilution. Stability tests were conducted based on the EMEA (European Medicines Agency) "guideline on stability testing: stability testing of existing active substances and related finished products". Experiments show that both the amount of co-solvent and surface active agent of the solvent system could substantially be reduced, while still maintaining adequate solubilizing power. It is also shown that the choice of various containers affects the stability of the compositions. It was concluded that by assessing the risk/benefit ratio of solubilizing power versus toxicity, the concentration of excipients could be considerably decreased while still showing a powerful solubilizing effect. It was also shown that a pharmaceutically acceptable shelf-life could be assigned to the composition, indicating good long-term stability.

  16. The studies of enhanced fluorescence in the two novel ternary rare-earth complex systems.

    PubMed

    Sun, Xiao-Jun; Li, Wen-Xian; Chai, Wen-Juan; Ren, Tie; Shi, Xiao-Yan

    2010-03-01

    Two novel ternary rare-earth complexes SmL(5).L'.(ClO(4))(2).7H(2)O and EuL(5).L'.(ClO(4))(2).6H(2)O (the first ligand L = C(6)H(5)COCH(2)SOCH(2)COC(6)H(5), the second ligand L' = C(6)H(4)OHCOO(-)) were synthesized and characterized by element analysis, molar conductivity, coordination titration analysis, IR, TG-DSC, (1)HNMR and UV spectra. The detailed luminescence studies on the rare-earth complexes showed that the ternary rare-earth complexes presented stronger fluorescence intensities, longer lifetimes, and higher fluorescence quantum efficiencies than the binary rare-earth materials. After the introduction of the second ligand salicylic acid group, the relative emission intensities and fluorescence lifetimes of the ternary complexes LnL(5).L'.(ClO(4))(2).nH(2)O (Ln = Sm, Eu; n=7, 6) enhanced more obviously than the binary complexes LnL(5).(ClO(4))(3).2H(2)O. This indicated that the presence of both organic ligand bis(benzoylmethyl) sulfoxide and the second ligand salicylic acid could sensitize fluorescence intensities of rare-earth ions, and the introduction of salicylic acid group was a benefit for the fluorescence properties of the ternary rare-earth complexes. The fluorescence spectra, fluorescence lifetime and phosphorescence spectra were also discussed.

  17. Cyclodextrin based ternary system of modafinil: Effect of trimethyl chitosan and polyvinylpyrrolidone as complexing agents.

    PubMed

    Patel, Parth; Agrawal, Y K; Sarvaiya, Jayrajsinh

    2016-03-01

    Modafinil is an approved drug for the treatment of narcolepsy and have a strong market presence in many countries. The drug is widely consumed for off-label uses and currently listed as a restricted drug. Modafinil has very low water solubility. To enhance the aqueous solubility of modafinil by the formation of a ternary complex with Hydroxypropyl-β-cyclodextrin and two hydrophilic polymers was the main objective of the present study. Pyrrolidone (PVP K30) and a water soluble chitosan derivative, trimethyl chitosan (TMC) were studied by solution state and solid state characterization methods for their discriminatory efficiency in solubility enhancement of modafinil. Phase solubility study depicted the highest complexation efficiency (2.22) of cyclodextrin derivative in the presence of TMC compared to the same in the presence of PVP K30 (0.08) and in the absence of any polymer (0.92). FT-IR analysis of binary and ternary complex expressed comparable contribution of both polymers in formation of inclusion complex. The thermal behaviour of binary and ternary complex, involving individual polymers disclosed the influence of TMC on polymorphism of the drug. DSC study revealed efficiency of TMC to prevent conversion of metastable polymorphic form to stable polymorphic form. Ternary complex, involving TMC enhanced water solubility of the drug 1.5 times more compared to the binary complex of the drug whereas PVP K30 reduced the Solubility.

  18. Status and prospects for ternary organic photovoltaics

    NASA Astrophysics Data System (ADS)

    Lu, Luyao; Kelly, Mary Allison; You, Wei; Yu, Luping

    2015-08-01

    In the past few years, ternary organic solar cells (OSCs) featuring multiple donor or acceptor materials in the active layer have emerged as a promising structure to simultaneously improve all solar cell parameters compared with traditional binary OSCs. Power conversion efficiencies around 10% have been achieved for conjugated polymers in a ternary structure, showing the great potential of ternary systems. In this review, we summarize progress in developing ternary OSCs and discuss many of the designs, chemistries and mechanisms that have been investigated. We conclude by highlighting the challenges and future directions for further development in the field of ternary blend OSCs.

  19. Pseudo-ternary phase diagrams in the system water/sodium chloride/heptane/1-butanol/sodium dodecyl sulphate

    SciTech Connect

    Gilje, E.; Maledal, T. )

    1992-01-01

    An entirely empirical model for estimating the pseudo-components in quarternary microemulsion systems has been adopted. Data for the system water/NaCl/ heptane/1-butanol/sodium dodecyl sulphate (SDS) are used in the empirical model. In this paper calculated phase volumes and interfacial tensions are compared with experimental data. Further, a calculated pseudo-ternary phase diagram is compared with the data obtained from an experimental phase diagram where the pseudo-components are determined from the model. The results show a good agreement between calculated and experimental data.

  20. Materials in the Li-Mo-O ternary system of interest for use in rechargeable lithium batteries

    NASA Astrophysics Data System (ADS)

    Huang, Chen-Kuo

    The thermodynamic and kinetic properties of lithium molybdenum oxide bronzes, which are of interest as possible positive electrode materials for use in rechargeable lithium batteries were characterized in this study. Within the Li-Mo-O ternary system, the phases Li4Mo5O12, Li2MoO3, and Li6Mo2O7 were investigated. Based upon theoretical considerations related to electrode potentials, capacities, and weight, lithium cells using these bronze materials as positive electrode reactants, should have a relatively high specific energy. Electrochemical techniques were used in order to determine the potentials and capacities of Li4Mo5O12, Li2MoO3, and Li6Mo2O7 in lithium-based cells. Equilibrium open-circuit voltages were recorded at selected compositions. An alternative method, voltage-relazation, was used in both the Li-Mo-O and the Li-Pb systems. The chemical diffusion coefficients of lithium in selected phases were measured using the Galvanostatic Intermittent Titration Technique (GITT). Powder X-ray diffraction patterns of the products formed during discharge were recorded and compared to those of the parent materials. Room temperature electrochemical experiments were conducted using cells of the following type: Li / 1M LiAsF6 in PC / LixMoOy. Powder X-ray diffraction results for the various phases formed during reaction with lithium showed that the parent framework remains largely unchanged during lithium insertion. The principles underlying the difference between the dynamic and equilibrium behavior of Li-Mo-O and related systems that can undergo both insertion and reconstitution reactions were investigated. As a result, the room temperature metastable ternary phase diagram was constructed and compared to the high temperature equilibrium ternary phase diagram.

  1. Structural studies of the metal-rich region in the ternary Ta-Nb-S system

    SciTech Connect

    Yao, Xiaoqiang.

    1991-10-07

    Six new solid solution type compounds have been prepared using high temperature techniques and characterized by means of single crystal x-ray techniques during a study of the metal-rich region of the ternary Ta-Nb-S system. The structures of Nb{sub x}Ta{sub 11-x}S{sub 4} are reminiscent of niobium-rich sulfides, rather than of tantalum-rich sulfides. The coordinations of sulfur are capped trigonal prismatic while the metal coordinations are capped distorted cubic prismatic for Nb{sub x}Ta{sub 11-x}S{sub 4}, and capped distorted cubic prismatic and pentagonal prismatic for Nb{sub 12-x}Ta{sub x}S{sub 4}. The structures of Nb{sub x}Ta{sub 5-x}S{sub 2} contain homoatomic layers sequenced S-M3-M2-M1-M2-M3-S (M is mixed Nb, Ta) generating six-layer sheets, respectively. Weak S-S interactions at 3.26 and 3.19{Angstrom} between sheets contrast with the M-M binding within and between the sheets in these two novel layered compounds. The former are presumably responsible for the observed graphitic slippage of the samples. Nb{sub 21-x}Ta{sub x}S{sub 8} and Nb{sub x}Ta{sub 2-x}S are isostructural with Nb{sub 21}S{sub 8} and Ta{sub 2}S, respectively. Extended Hueckel band calculations were carried out for two layered compounds, Nb{sub x}Ta{sub 5-x}S{sub 2} (x {approx} 1.72) and Nb{sub x}ta{sub 2-x}S (x {approx} 0.95). Based upon band calculations metallic properties can be expected for these two layered compounds. The relative preference of the metal sites for the two metal elements (Ta, Nb) in two layered compounds is explained by the results of the band calculations. 17 figs., 31 tabs., 80 refs.

  2. Identification and quantification of components in ternary vapor mixtures using a microelectromechanical-system-based electronic nose

    NASA Astrophysics Data System (ADS)

    Zhao, Weichang; Pinnaduwage, Lal A.; Leis, John W.; Gehl, Anthony C.; Allman, Steve L.; Shepp, Allan; Mahmud, Ken K.

    2008-05-01

    We report the experimental details on the successful application of the electronic nose approach to identify and quantify components in ternary vapor mixtures. Preliminary results have recently been presented [L. A. Pinnaduwage et al., Appl. Phys. Lett. 91, 044105 (2007)]. Our microelectromechanical-system-based electronic nose is composed of a microcantilever sensor array with seven individual sensors used for vapor detection and an artificial neural network for pattern recognition. A set of custom vapor generators generated reproducible vapor mixtures in different compositions for training and testing of the neural network. The sensor array was selected to be capable of generating different response patterns to mixtures with different component proportions. Therefore, once the electronic nose was trained by using the response patterns to various compositions of the mixture, it was able to predict the composition of "unknown" mixtures. We have studied two vapor systems: one included the nerve gas simulant dimethylmethyl phosphonate at ppb concentrations and water and ethanol at ppm concentrations; the other system included acetone, water, and ethanol all of which were at ppm concentrations. In both systems, individual, binary, and ternary mixtures were analyzed with good reproducibility.

  3. Atomistic modeling to investigate the favored composition for metallic glass formation in the Ca-Mg-Ni ternary system.

    PubMed

    Zhao, S; Li, J H; An, S M; Li, S N; Liu, B X

    2017-05-17

    A realistic interatomic potential was first constructed for the Ca-Mg-Ni system and then applied to Monte Carlo simulations to predict the favored composition for metallic glass formation in the ternary system. The simulations not only predict a hexagonal composition region, within which the Ca-Mg-Ni metallic glass formation is energetically favored, but also pinpoint an optimized sub-region within which the amorphization driving force, i.e. the energy difference between the solid solution and disordered phase, is larger than that outside. The simulations further reveal that the physical origin of glass formation is the solid solution collapsing when the solute atom exceeds the critical solid solubility. Further structural analysis indicates that the pentagonal bi-pyramids dominate in the optimized sub-region. The large atomic size difference between Ca, Mg and Ni extends the short-range landscape and facilitates the development of a hybridized packing model in the medium-range, and eventually enhancing the glass formation in the system. The predictions are well supported by the experimental observations reported so far, and could be of help for designing the ternary glass formation.

  4. Binary and Ternary Catalytic Systems for Olefin Metathesis Based on MoCl5/SiO2

    NASA Astrophysics Data System (ADS)

    Bykov, Victor I.; Belyaev, Boris A.; Butenko, Tamara A.; Finkelshtein, Eugene Sh.

    Kinetics of α-olefin metathesis in the presence of binary (MoCl5/ SiO2-Me4Sn) and ternary catalytic systems (MoCl5/SiO2-Me4Sn-ECl4, E = Si or Ge) was studied. Specifically, kinetics and reactivity of 1-decene, 1-octene, and 1-hexene in the metathesis reaction at 27°C and 50°C in the presence of MoCl5/ SiO2-SnMe4 were examined and evaluated in detail. It was shown that experimental data comply well with the simple kinetic equation for the rate of formation of symmetrical olefins with allowance for the reverse reaction and catalyst deactivation: r = left( {k_1 \\cdot c_α - k_{ - 1} \\cdot c_s } right) \\cdot e^{ - k_d \\cdot tilde n_{tot} } . The coefficients for this equation were determined, and it was shown that these α-olefins had practically the same reactivity. It was found that reactivation in the course of metathesis took place due to the addition of a third component (silicon tetrachloride or germanium tetrachloride in combination with tetramethyltin) to a partially deactivated catalyst. The number of active centers was determined (5-6% of the amount of Mo) and the mechanisms of formation, deactivation, and reactivation were proposed for the binary and ternary catalytic systems. The role of individual components of the catalytic systems was revealed.

  5. Peculiarities of thermoelectric half-Heusler phase formation in Gd-Ni-Sb and Lu-Ni-Sb ternary systems

    NASA Astrophysics Data System (ADS)

    Romaka, V. V.; Romaka, L.; Horyn, A.; Rogl, P.; Stadnyk, Yu; Melnychenko, N.; Orlovskyy, M.; Krayovskyy, V.

    2016-07-01

    The phase equilibria in the Gd-Ni-Sb and Lu-Ni-Sb ternary systems were studied at 873 K by X-ray and metallographic analyses in the whole concentration range. The interaction of the elements in the Gd-Ni-Sb system results the formation of five ternary compounds at investigated temperature: Gd5Ni2Sb (Mo5SiB2-type), Gd5NiSb2 (Yb5Sb3-type), GdNiSb (MgAgAs-type), Gd3Ni6Sb5 (Y3Ni6Sb5-type), and GdNi0.72Sb2 (HfCuSi2-type). At investigated temperature the Lu-Ni-Sb system is characterized by formation of the LuNiSb (MgAgAs-type), Lu5Ni2Sb (Mo5SiB2-type), and Lu5Ni0.56Sb2.44 (Yb5Sb3-type) compounds. The disordering in the crystal structure of half-Heusler GdNiSb and LuNiSb was revealed by EPMA and studied by means of Rietveld refinement and DFT modeling. The performed electronic structure calculations are in good agreement with electrical transport property studies.

  6. Synthesis, structure, and characterization of new ternary and quaternary chalcogenides from supercritical amine systems

    NASA Astrophysics Data System (ADS)

    Jerome, James Emmett, III

    The use of supercritical amine systems, particularly ethylenediamine (Tsb{c}=320sp° C,\\ Psb{c}=62.8 atm), has proven quite useful as reaction media in the synthesis of new ternary and quaternary compounds containing S or Se. The following new, dimensional materials have been produced by this methodology: Nasb2CuSbSsb3; KCusb2AsSsb3; KCusb4(AsSsb3)S; KCusb2SbSsb3,\\ RbCusb2AsSsb3,\\ RbCusb2SbSsb3; RbAgsb2AsSsb3; RbAgsb2SbSsb3,\\ CsCusb2AsSsb3; CsCusb2SbSsb3; Asb2Agsb3Sbsb3Ssb7 (where A = K, Rb, and Cs); KAgSbsb2Ssb4; CsAgSbsb4Ssb7; Rbsb2Cusb2Sbsb2Ssb5,\\ Cssb2Cusb2Sbsb2Ssb5,\\ Tlsb2Cusb2Assb2Ssb5; Cssb2Agsb2Sbsb2Sesb5; TlCusb2SbSsb3; Tlsb3Agsb3(SbSsb3)sb2; Cssb2Cusb6Assb2Ssb7; Rbsb9Cusb6(Assb4Ssb9)(Assb2Ssb5)sb2; and KSbsb2Sesb4. KCusb4(AsSsb3)S,\\ CsAgSbsb4Ssb7,\\ Asb2Agsb3Sbsb3Sesb7 (where A = K, Rb, Cs), TlCusb2SbSsb3 and Rbsb9Cusb6(Assb4Ssb9)(Assb2Ssb5)sb2 have channeled structures. Tlsb3Agsb3(SbSsb3)sb2 has a true three-dimensional structure and the ternary, KSbsb2Sesb4, has a structure composed of infinite Sbsb2Sesb4sp{1-} chains. The structures of the remaining quaternary compounds listed above are all two-dimensional, composed of anionic infinite layers separated by cations. All of these compounds can be described as synthetic sulfosalt (or 'seleno-') structures that fit the classic mineralogical definition. These materials were characterized by single crystal and powder X-ray diffraction, differential scanning calorimetry, solid state diffuse reflectance, SEM/EDAX, bond valence sum calculations, and Far-IR spectroscopy (where possible). They are all examples of wide band gap semiconductors with Esb{g} values ranging from 1.40 eV for Tlsb2Cusb2Assb2Ssb5 to 3.63 eV for RbCusb2AsSsb3. Additionally, molecular compounds were also produced by using supercritical amine media and include the isostructural series of Cssb3SbSesb4,\\ Rbsb3SbSesb4,\\ Rbsb3AsSesb4,\\ Cusb3AsSesb4,\\ Ksb3AsSesb4, and the pseudo-columnar compound Cssb2Sbsb6Sesb{10}. The five

  7. Ternary complexes in analytical chemistry.

    PubMed

    Babko, A K

    1968-08-01

    Reactions between a complex AB and a third component C do not always proceed by a displacement mechanism governed by the energy difference of the chemical bonds A-B and A-C. The third component often becomes part of the complex, forming a mixed co-ordination sphere or ternary complex. The properties of this ternary complex ABC are not additive functions of the properties of AB and AC. Such reactions are important in many methods in analytical chemistry, particularly in photometric analysis, extractive separation, masking, etc. The general properties of the four basic types of ternary complex are reviewed and examples given. The four types comprise the systems (a) metal ion, electronegative ligand, organic base, (b) one metal ion, two different electronegative ligands, (c) ternary heteropoly acids, and (d) two different metal ions, one ligand.

  8. Relative fragmentation in ternary systems within the temperature-dependent relativistic mean-field approach

    NASA Astrophysics Data System (ADS)

    Kannan, M. T. Senthil; Kumar, Bharat; Balasubramaniam, M.; Agrawal, B. K.; Patra, S. K.

    2017-06-01

    For the first time, we apply the temperature-dependent relativistic mean-field (TRMF) model to study the ternary fragmentation of heavy nuclei using the level density approach. The relative fragmentation probability of a particular fragment is obtained by evaluating the convolution integrals that employ the excitation energy and the level density parameter for a given temperature calculated within the TRMF formalism. To illustrate, we have considered the ternary fragmentations in 252Cf, 242Pu, and 236U with a fixed third fragment A3=48Ca , 20O, and 16O, respectively. The relative fragmentation probabilities are studied for the temperatures T =1 , 2, and 3 MeV. For the comparison, the relative fragmentation probabilities are also calculated from the single-particle energies of the finite range droplet model (FRDM). In general, the larger phase space for the ternary fragmentation is observed indicating that such fragmentations are most probable ones. For T =2 and 3 MeV, Sn +Ni +Ca is the most probable combination for the nucleus 252Cf. However, for the nuclei 242Pu and 236U, the maximum fragmentation probabilities at T =2 MeV differ from those at T =3 MeV. For T =3 MeV, the closed shell (Z =8 ) light-mass fragment with its corresponding partners has larger scission point probabilities. But, at T =2 MeV, Si, P, and S are favorable fragments with the corresponding partners. It is noticed that the symmetric binary fragmentation along with the fixed third fragment for 242Pu and 236U is also favored at T =1 MeV.

  9. Bulk single crystal ternary substrates for a thermophotovoltaic energy conversion system

    DOEpatents

    Charache, Greg W.; Baldasaro, Paul F.; Nichols, Greg J.

    1998-01-01

    A thermophotovoltaic energy conversion device and a method for making the device. The device includes a substrate formed from a bulk single crystal material having a bandgap (E.sub.g) of 0.4 eVternary or quaternary III-V semiconductor active layers.

  10. Bulk single crystal ternary substrates for a thermophotovoltaic energy conversion system

    DOEpatents

    Charache, G.W.; Baldasaro, P.F.; Nichols, G.J.

    1998-06-23

    A thermophotovoltaic energy conversion device and a method for making the device are disclosed. The device includes a substrate formed from a bulk single crystal material having a bandgap (E{sub g}) of 0.4 eV < E{sub g} < 0.7 eV and an emitter fabricated on the substrate formed from one of a p-type or an n-type material. Another thermophotovoltaic energy conversion device includes a host substrate formed from a bulk single crystal material and lattice-matched ternary or quaternary III-V semiconductor active layers. 12 figs.

  11. Densities, refractive indices, and excess molar volumes of the ternary systems water + methanol + 1-octanol and water + ethanol + 1-octanol and their binary mixtures at 298. 15 K

    SciTech Connect

    Arce, A.; Blanco, A.; Soto, A.; Vidal, I. )

    1993-04-01

    The densities, refractive indices, and excess molar volumes of the ternary systems water + methanol + 1-octanol and water + ethanol + 1-octanol have been determined at 298.15 K. These physical properties are easily measured, and the authors' tabulated data thus allow indirect determination of the composition of arbitrary mixtures. The authors have found no directly comparable data in the literature, though data are available for the binary mixtures formed by these components and for other ternary mixtures containing these binary systems. The excess volumes have been correlated using Redlich-Kister functions.

  12. Ternary Oxides in the TiO2-ZnO System as Efficient Electron-Transport Layers for Perovskite Solar Cells with Efficiency over 15.

    PubMed

    Yin, Xiong; Xu, Zhongzhong; Guo, Yanjun; Xu, Peng; He, Meng

    2016-11-02

    Perovskite solar cells, which utilize organometal-halide perovskites as light-harvesting materials, have attracted great attention due to their high power conversion efficiency (PCE) and potentially low cost in fabrication. A compact layer of TiO2 or ZnO is generally applied as electron-transport layer (ETL) in a typical perovskite solar cell. In this study, we explored ternary oxides in the TiO2-ZnO system to find new materials for the ETL. Compact layers of titanium zinc oxides were readily prepared on the conducting substrate via spray pyrolysis method. The optical band gap, valence band maximum and conduction band minimum of the ternary oxides varied significantly with the ratio of Ti to Zn, surprisingly, in a nonmonotonic way. When a zinc-rich ternary oxide was applied as ETL for the device, a PCE of 15.10% was achieved, comparable to that of the device using conventional TiO2 ETL. Interestingly, the perovskite layer deposited on the zinc-rich ternary oxide is stable, in sharp contrast with that fabricated on a ZnO layer, which will turn into PbI2 readily when heated. These results indicate that potentially new materials with better performance can be found for ETL of perovskite solar cells in ternary oxides, which deserve more exploration.

  13. The phase diagram for the ternary system propylene glycol-sodium chloride-water and their application to platelet cryopreservation.

    PubMed

    Liu, Jing-Han; Gao, Dayong; He, Li-Qun; Moey, Lip Kean; Hua, Kegang; Liu, Zuo-Bin

    2003-02-01

    In order to acquire freezing model of the cryopretective solution (NaCl-propylene glycol-water ternary system) for platelet, the melting points (T(f)) of this cryopretective solutions with different solute concentration and different ratio of PG mass to NaCl mass were measured by using a differential scanning calorimeter (DSC), and these experimental data were fitting by computer. An empirical equation was derived which characterized the Tf as a function of the solute concentration and the ratio of PG mass to NaCl mass inside this solution. It was concluded that the equilibrium freezing model for human platelets in this system could be used to instruct platelet cryopreserving techniques.

  14. Ternary systems based on PVDF, BaTiO{sub 3} and MWCNTs: Fabrication, characterization, electromagnetic simulation

    SciTech Connect

    Cacciotti, Ilaria; Valentini, Manlio; Nanni, Francesca

    2015-03-10

    In this work, ternary bulk systems based on polyvinylidene fluoride (PVDF), synthesised barium titanate (BaTiO{sub 3}, BT) nanopowder and multi walled carbon nanotubes (MWCNTs) were fabricated by film stacking technique, starting from solvent cast films. The main purpose was to investigate the influence of BT and MWCNTs addition to the polymeric matrix on its microstructural and dielectrical properties. In order to achieve it, different BT concentrations, ranging between the 60 and 75 %wt, were tested, whereas a MWCNTs content of 2 %wt was maintained constant. The morphology was studied by observation at scanning electron microscopy (SEM), the microstructure and crystalline phases investigated by X-Ray diffraction (XRD) and Fourier transform infrared (FT-IR) spectroscopy, and the electromagnetic properties measured in the microwave region (8-12 GHz). The electromagnetic response of the investigated bulk systems was also simulated as function of the sample thickness.

  15. One-pot solvothermal preparation and enhanced photocatalytic activity of metallic silver and graphene co-doped BiVO4 ternary systems

    NASA Astrophysics Data System (ADS)

    Xu, Lei; Wei, Yongge; Guo, Wan; Guo, Yihang; Guo, Yingna

    2015-03-01

    A series of metallic silver and graphene (GR) co-doped monoclinic BiVO4 ternary systems (Ag/GR/BiVO4) are demonstrated by a single-step solvothermal method. The phase and chemical structure, morphology, textural and optical absorption properties of the Ag/GR/BiVO4 ternary systems are well characterized, and then their simulated sunlight and visible-light photocatalytic activity were evaluated by the degradation of a typical dye pollutant, rhodamine B (RhB). For comparison, binary systems of Ag/BiVO4 and GR/BiVO4 as well as solitary BiVO4 are also tested under the same conditions. Meanwhile, the separation and transportation of the photogenerated carriers in the simulated sunlight-irradiating Ag/GR/BiVO4 ternary systems are studied by photoelectrochemistry experiments, and the active species generated during the process of photodegradation are investigated by free radical and hole scavenging experiments. On the basis of the above results, mechanism of photocatalytic degradation of RhB over the Ag/GR/BiVO4 ternary system is revealed. Finally, the reusability of the catalyst was evaluated by five consecutive catalytic runs.

  16. Study of absorption and re-emission processes in a ternary liquid scintillation system

    NASA Astrophysics Data System (ADS)

    Xiao, Hua-Lin; Li, Xiao-Bo; Zheng, Dong; Cao, Jun; Wen, Liang-Jian; Wang, Nai-Yan

    2010-11-01

    Liquid scintillators are widely used as the neutrino target in neutrino experiments. The absorption and emission of different components of a ternary liquid scintillator (Linear Alkyl Benzene (LAB) as the solvent, 2,5-diphenyloxazole (PPO) as the fluor and p-bis-(o-methylstyryl)-benzene (bis-MSB) as wavelength shifter) are studied. It is shown that the absorption of this liquid scintillator is dominant by LAB and PPO at wavelengths less than 349 nm, and the absorption by bis-MSB becomes prevalent at the wavelength larger than 349 nm. The fluorescence quantum yields, which are the key parameters to model the absorption and re-emission processes in large liquid scintillation detectors, are measured.

  17. Excess molar enthalpies of ternary systems butan-1-ol or butan-2-ol + aniline + propanone and of binary systems butan-1-ol or butan-2-ol + propanone at the temperature 298.15 K

    SciTech Connect

    Nagata, Isamu; Tamura, Kazuhiro; Kataoka, Hideo; Ksiazczak, A.

    1996-05-01

    The excess molar enthalpies at the temperature 298.15 K for ternary systems butan-1-ol + aniline + propanone and butan-2-ol + aniline + propanone and their constituent binary systems butan-1-ol + propanone and butan-2-ol + propanone, measured with an isothermal dilution calorimeter, are reported. The experimental results have been analyzed and compared with a polynomial equation and the UNIQUAC-associated solution model with binary and ternary additional parameters.

  18. Competitive immobilization of Pb in an aqueous ternary-metals system by soluble phosphates with varying pH.

    PubMed

    Zhang, Zhuo; Ren, Jie; Wang, Mei; Song, Xinlai; Zhang, Chao; Chen, Jiayu; Li, Fasheng; Guo, Guanlin

    2016-09-01

    Chemical immobilization by phosphates has been widely and successfully applied to treat Pb in wastewater and contaminated soils. Pb in wastewaters and soils, however, always coexists with other heavy metals and their competitive reactions with phosphates have not been quantitatively and systematically studied. In this approach, immobilization of Pb, Zn, and Cd by mono-, di-, and tripotassium phosphate (KH2PO4, K2HPO4, and K3PO4) was observed in the single- and ternary-metals solutions. The immobilization rates of the three metals were determined by the residual concentration. The mineral composition and structure of the precipitates were characterized by powder X-ray diffraction (XRD) analysis and scanning electron microscopy (SEM). The results indicated that competitive reaction occurred in Pb-Zn-Cd ternary system, with immobilization rates decrease of <3.6%, <78%, and <89% for Pb, Zn and Cd (molar ratios of P: metal <1), respectively, compared to single metal system. The reaction of Pb with three phosphates exhibited intense competitiveness and the phosphates had a stronger affinity for Pb when Cl(-) was added. Pb-phosphate minerals formed by KH2PO4 with the better crystalline characteristics and largest size were very stable with a low dissolution rate (<0.02%) in the solution of pH 2.88, compared to K2HPO4 and K3PO4. This study demonstrated that Pb could be firstly and effectively immobilized by phosphates in multi-metal solutions containing Pb, Zn and Cd. Moreover, the research provided the insight of the importance of phosphate with low pH (e.g. KH2PO4) and the presence of Cl(-) for more efficient immobilization of Pb in the multi-metals pollution system. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Dynamics and control of recycle systems. 4. Ternary systems with one or two recycle streams

    SciTech Connect

    Tyreus, B.D. ); Luyben, W.L. . Department of Chemical Engineering)

    1993-06-01

    This paper is the fourth in a series of papers that explore the challenging problems associated with the dynamics and control of recycle systems. The reactions considered in previous papers were fairly simple. Only first-order reactions were considered, so there was only one fresh feed stream. In this paper, second-order kinetics are considered with two fresh-feed makeup streams. Two cases are considered: (1) instantaneous and complete one-pass conversion of one of the two components in the reactor so there is an excess of only one component that must be recycled and (2) incomplete conversion per pass so there are two recycle streams. It is shown that the generic liquid-recycle rule proposed by Luyben applies in both of these cases: snowballing is prevented by fixing the flow rate somewhere in the recycle system. An additional generic rule is proposed: fresh feed makeup of any component cannot be fixed unless the component undergoes complete single-pass conversion. In the complete one-pass conversion case, throughput can be set by fixing the flow rate of the limiting reactant. The makeup of the other reactant should be set by level control in the reflux drum of the distillation column. In the incomplete conversion case, two workable schemes were found: (1) Both recycle flow rates are fixed and both fresh-feed makeups are brought in on level control. Throughput is controlled by changing either the reactor temperature or the recycle flow rates. (2) One fresh-feed makeup controls reactor level and the other controls the composition in the reactor. Throughput is controlled by setting reactor temperature or reactor effluent flow rate.

  20. Liquid-liquid equilibrium measurement of ternary system containing β-caryophyllene in the water and 2-propanol mixture

    NASA Astrophysics Data System (ADS)

    Tetrisyanda, Rizky; Kuswandi, Wibawa, Gede

    2017-01-01

    To obtain a high purity of clove oil, it is needed to separate β-caryophyllene from the oil mixtures.The separation of this component could be obtained by solvent extraction. In this work, liquid-liquid equilibrium (LLE) data were measured for the ternary system of water β-caryophyllene (1) + 2-propanol (2) + water (3) at temperature 303.15 K, 313.15 K and 323.15K under atmospheric pressure. The experimental LLE data were correlated with the NRTL and UNIQUAC models. The reliability of these models is tested by comparison with experimental results. The varied temperatures studied in this work have significant influence to the two-phase area and the solubility of 2-propanol and β-caryophyllene in the aqueous phase.

  1. TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

    PubMed Central

    Oshchapovsky, Igor; Pavlyuk, Volodymyr; Fässler, Thomas F.; Hlukhyy, Viktor

    2010-01-01

    The title compound, terbium hexa­niobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an inter­growth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodeca­hedron) 6/mmm; Nb (distorted icosa­hedron) 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15) 6mm and m2; Sn (distorted icosa­hedron) m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels. PMID:21589205

  2. Combustion synthesis in the Ni-Al-Nb ternary system: A Time-Resolved X-ray Diffraction study

    NASA Astrophysics Data System (ADS)

    Sytschev, Alexander E.; Kovalev, Dmitry Yu.; Vrel, Dominique; Vadchenko, Sergey G.

    Combustion synthesis of intermetallics, using the thermal explosion mode, in the Ni-Al-Nb ternary system is presented, with a 40:40:20 atomic ratio. The kinetic pathway is determined using Time-Resolved X-ray Diffraction, with a time-step resolution of 1 s and demonstrated a first formation of the B2 NiAl structure followed by progressive dissolution of Nb to yield NiAlNb intermetallic Laves phase, representing 35 w% of the final product. SEM observations show a double dendritic (coarse and fine) microstructure, resulting from eutectic crystallization. Due to a high cooling rate, Nb dissolution is not complete at the surface, and yields slightly more complex microstructure, including the Ni2AlNb Geissler phase, the (Ni,Al)2Nb Laves phase, and (Ni, Al)7Nb6.

  3. Development of high reliability and high processability thermosets for electronic packaging applications based on ternary systems of benzoxazine, epoxy and phenolic resins

    NASA Astrophysics Data System (ADS)

    Rimdusit, Sarawut

    We have developed new polymeric systems based on the ternary mixture of benzoxazine, epoxy, and phenolic novolac resins. Low melt viscosity resins render void free specimens with minimal processing steps. The material properties show a wide range of desirable reliability and processability which are highly dependent on the composition of the monomers in the mixture. Fourier transform mechanical spectroscopy techniques (FTMS) are utilized as a powerful tool to study the sol-gel transition of covalently bonded polymeric networks. The gelation of the ternary mixture shows an Arrhenius-type behavior and the gel time can be well-predicted by the Arrhenius equation. The synergism in the glass transition temperature of these ternary systems is also reported. The molecular rigidity from benzoxazine and the improved crosslink density from epoxy contribute to the synergestic behavior. The mechanical relaxation spectra of the fully cured ternary systems in the temperature range of -140°C to 350°C show four types of relaxation transitions i.e. gamma, beta, alpha1, and alpha2-transitions. Thermal conductivity of the molding compounds based on these ternary mixtures exhibits a very high value of about 27 W/mk in aggregate-type boron nitride filler and the value of about 8.6 W/mk in flake-like crystal boron nitride filler comparing at the same filler loading of 68% by volume. The presence of epoxy resin in the ternary systems is found to provide improvement in a high temperature adhesion. The curing kinetics based on dynamic DSC results of this ternary system show nth order kinetics with an overall reaction order of 1.5 having activation energy of 111 kJ/mol whereas that of the gelation process is 75 kJ/mol. Thermal degradation process of this resin is deceleratory type with activation energy of 185 kJ/mol. A choice of a resin used for the study can provide maximum Tg of about 220°C in its fully cured specimen. The system has a potential use as high performance electronic

  4. Melting phase relations in MgO-FeO-SiO2 ternary system at high pressure

    NASA Astrophysics Data System (ADS)

    Morishita, A.; Nomura, R.; Hirose, K.

    2014-12-01

    Seismological observations show that the presence of a small fraction of partial melt at the base of the mantle. The knowledge of chemical composition of such partial melt is key to understand its buoyancy and stability in the lowermost mantle. Recent melting experiments performed in the deep lower mantle conditions demonstrated that 1) MgSiO3-rich perovskite (bridgemanite) is the first phase to crystallize from melts with a wide range of (Mg + Fe)/ Si ratios in the middle to deep lower mantle and 2) iron is preferentially partitioned into melt rather than solid [Nomura et al., 2011 Nature; Tateno et al., 2014 JGR], suggesting that melts evolves towards a FeO-rich / SiO2-poor composition upon crystallization. Here we carried out melting experiments under both shallow and deep lower mantle pressures using a laser-heated diamond-anvil cell (DAC), in order to determine melting phase equilibria in the MgO-FeO-SiO2 ternary system. Several different starting materials were used. After heating at high pressure, sample was recovered from a DAC, and then examined with dual beam scanning microprobe (FIB + FE-SEM) (Versa 3DTM, FEI) and field-emission-type electron probe microanalyzer (FE-EPMA) (JXA-8530F, JEOL). On the basis of X-ray maps and quantitative point-analyses, quenched partial melt with non-stoichiometric composition was found at the center of the sample (the hottest part) and surrounded by a liquidus phase. The partial melts were sometimes in direct contact with more than one solid phases such as bridgemanite + ferropericlase or bridgemanite + stishovite, which can tightly constrain the locations of cotectic lines. These results imply that eutectic melt is strongly enriched in FeO in the MgO-FeO-SiO2 ternary system in a wide range of lower mantle pressures.

  5. Gold nanoparticles interacting with β-cyclodextrin-phenylethylamine inclusion complex: a ternary system for photothermal drug release.

    PubMed

    Sierpe, Rodrigo; Lang, Erika; Jara, Paul; Guerrero, Ariel R; Chornik, Boris; Kogan, Marcelo J; Yutronic, Nicolás

    2015-07-22

    We report the synthesis of a 1:1 β-cyclodextrin-phenylethylamine (βCD-PhEA) inclusion complex (IC) and the adhesion of gold nanoparticles (AuNPs) onto microcrystals of this complex, which forms a ternary system. The formation of the IC was confirmed by powder X-ray diffraction and NMR analyses ((1)H and ROESY). The stability constant of the IC (760 M(-1)) was determined using the phase solubility method. The adhesion of AuNPs was obtained using the magnetron sputtering technique, and the presence of AuNPs was confirmed using UV-vis spectroscopy (surface plasmon resonance effect), which showed an absorbance at 533 nm. The powder X-ray diffractograms of βCD-PhEA were similar to those of the crystals decorated with AuNPs. A comparison of the one- and two-dimensional NMR spectra of the IC with and without AuNPs suggests partial displacement of the guest to the outside of the βCD due to attraction toward AuNPs, a characteristic tropism effect. The size, morphology, and distribution of the AuNPs were analyzed using TEM and SEM. The average size of the AuNPs was 14 nm. Changes in the IR and Raman spectra were attributed to the formation of the complex and to the specific interactions of this group with the AuNPs. Laser irradiation assays show that the ternary system βCD-PhEA-AuNPs in solution enables the release of the guest.

  6. Real-space mean-field approach to polymeric ternary systems

    NASA Astrophysics Data System (ADS)

    Komura, Shigeyuki; Kodama, Hiroya; Tamura, Keizo

    2002-12-01

    Phase separated structure of ternary blends of A and B homopolymers and symmetric AB diblock copolymer is investigated using a lattice (real-space) self-consistent field theory. This paper includes the detailed description of our published results [Kodama, Komura, and Tamura, Europhys. Lett. 53, 46 (2001)] as well as more extended calculations. We consider the symmetric case, namely, (i) both A and B homopolymers have the same degree of polymerization NA=NB; (ii) AB diblock copolymer of length NAB is symmetric; (iii) average volume fractions of A and B homopolymers are equal. We looked into the influence of relative chain lengths α=NA/NAB on the phase separated structure. Our numerical simulations are performed in the real space without assuming the symmetry of the structure a priori. For the fixed copolymer length and α<1, the typical length scale of the microphase separated structure become smaller for relatively shorter homopolymer chains (small α). In other words, the homopolymers becomes more efficient to swell the microphase separated structure for longer homopolymer chains (large α). Detailed free-energy analysis revealed that the stability of the lamellar phase is marginal for small block copolymer volume fraction. For α>1, on the other hand, three-phase coexistence either between the disorder, A-rich and B-rich phases or between the lamellar, A-rich and B-rich phases is observed.

  7. Melting point equations for the ternary system water/sodium chloride/ethylene glycol revisited.

    PubMed

    Benson, James D; Bagchi, Aniruddha; Han, Xu; Critser, John K; Woods, Erik J

    2010-12-01

    Partial phase diagrams are of considerable utility in the development of optimized cryobiological procedures. Recent theoretical predictions of the melting points of ternary solutions of interest to cryobiology have caused us to re-examine measurements that our group made for the ethylene-glycol-sodium chloride-water phase diagram. Here we revisit our previous experiments by measuring melting points at five ethylene-glycol to sodium chloride ratios (R values; R=5, 10, 15, 30, and 45) and five levels of concentration for each ratio. Melting points were averaged from three measurements and plotted as a function of total solute concentration for each R value studied. The new measurements differed from our original experimental values and agreed with predicted values from both theoretical models. Additionally, the data were fit to the polynomial described in our previous report and the resulting equation was obtained: T(m) = (38.3-2.145 x 10⁻¹ R)w + (81.19 - 2.909×10⁻¹ R)w², where w is the total solute mass fraction. This new equation provided good fits to the experimental data as well as published values and relates the determined polynomial constants to the R value of the corresponding isopleths of the three dimensional phase diagram, allowing the liquids curve for any R value to be obtained. Copyright © 2010 Elsevier Inc. All rights reserved.

  8. Measurement of Vapor-Liquid Equilibrium for the DME + Diisopropyl Ether Binary System and Correlation for the DME + CO2 + Diisopropyl Ether Ternary System

    NASA Astrophysics Data System (ADS)

    Wu, Xianghong; Du, Xiaojie; Zheng, Danxing

    2010-02-01

    Vapor-liquid equilibrium (VLE) data have been measured with a static-type VLE apparatus for the dimethyl ether (DME)-diisopropyl ether (DIPE) binary system at five temperatures within the range from 293.04 K to 352.70 K. An isothermal correlation for the experimental data has been carried out based on the Peng-Robinson equation of state. The regressed binary interaction parameters were used to estimate VLE for the DME-CO2-DIPE ternary system at 298.15 K. From the study, it is demonstrated that DIPE is an excellent absorbent for separation in the DME synthesis process from syngas.

  9. Transport properties and phase behaviour in binary and ternary ionic liquid electrolyte systems of interest in lithium batteries.

    PubMed

    Bayley, Paul M; Best, Adam S; MacFarlane, Douglas R; Forsyth, Maria

    2011-03-14

    A binary ionic liquid (IL) system based on a common cation, N-methyl-N-propylpyrrolidinium (C(3) mpyr(+)), and either bis(trifluoromethanesulfonyl)imide (NTf(2) (-)) or bis(fluorosulfonyl) imide (FSI(-) as the anion is explored over its entire composition range. Phase behavior, determined by DSC, shows the presence of a eutectic temperature at 247 K and composition around an anion ratio of 2:1 (FSI(-) :NTf(2)(-)) with the phase diagram for this system proposed (under the thermal conditions used). Importantly for electrochemical devices, the single phase melting transition at the eutectic is well below ambient temperatures (247 K). To investigate the effect of such anion mixing on the lithium ion speciation, conductivity and PFG-NMR diffusion measurements were performed in both the binary IL system as well as the Li-NTf(2) -containing ternary system. The addition of the lithium salt to the mixed IL system resulted in a decrease in conductivity, as is commonly observed in the single-component IL systems. For a fixed lithium salt composition, both conductivity and ion diffusion have linear behaviour as a function of the anion ratio, however, the rate of change of the diffusion coefficient seems greater in the presence of lithium. From the application point of view, the addition of the FSI(-) to the NTf(2)(-) IL results in a considerable increase in lithium ion diffusivity at room temperature and no evidence of additional complex ion behaviour.

  10. Ternary (liquid + liquid) equilibria of (diethyl carbonate + ethanol or 1-propanol + water) systems at 303.15 K under atmospheric pressure

    NASA Astrophysics Data System (ADS)

    Ginting, Rizqy Romadhona; Mustain, Asalil; Gunardi, Ignatius; Wibawa, Gede

    2017-01-01

    Ternary (liquid + liquid) equilibria data of diethyl carbonate (DEC) + ethanol or 1-propanol + water systems were accurately determined at 303.15 K using jacketed equilibrium cell under atmospheric pressure. The reliability of experimental tie-line data were checked by using Bachman-Brown correlation giving an r-squared value of 0.9933 and 0.9996, respectively. Both systems studied in this work exhibit Treybal's Type I ternary phase behavior. The experimental tie-line data were correlated well using the Non-Random Two Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) activity coefficient models giving root-mean-square deviation (RMSD) of 0.95 and 1.18% for DEC + ethanol + water system.,While DEC + 1-propanol + water system gives RMSD value of 0.30 and 0.37%, respectively. The effect of carbon chain length of alcohol to the phase boundary of both systems was observed and discussed in detail.

  11. Isothermal section of the phase diagram and crystal structures of the compounds in the ternary system Tm-Cu-Sb at 870 K

    NASA Astrophysics Data System (ADS)

    Fedyna, L. O.; Fedorchuk, A. O.; Mykhalichko, V. M.; Shpyrka, Z. M.; Fedyna, M. F.

    2017-07-01

    The isothermal section of the Tm-Cu-Sb phase diagram at 870 K was constructed using X-ray phase analysis. The existence of one ternary compound was confirmed - TmCu1-xGe2 (x = 0.109) (structure type HfCuSi2, space group P4/nmm, Pearson code tP8-0.22, a = 4.24170(2), c = 9.73942(9) Å). New ternary copper antimonides Tm3Cu20+xSb11-x (x = 2) (structure type Dy3Cu20+xSb11-x, space group F-43 m, Pearson code cF272, a = 16.55784(4) Å) and TmCu4-xSb2 (x = 1.065) (structure type ErFe4Ge2 (LTM), space group Pnnm, Pearson code oP14-2.13, a = 7.00565(6), b = 7.83582(6), c = 4.25051(3) Å) were found. The crystal structures of compounds were refined by full-profile Rietveld method using X-ray powder diffraction data. The solubility of the third component in all binary phases was found to be negligible. The crystal structures of known ternary antimonides were analyzed and relationship among the crystal structures of compounds in the ternary system Tm-Cu-Sb was illustrated.

  12. First-principles prediction of stabilities and instabilities of compounds and alloys in the ternary B-As-P system

    NASA Astrophysics Data System (ADS)

    Ektarawong, A.; Simak, S. I.; Alling, B.

    2017-07-01

    We examine the thermodynamic stability of compounds and alloys in the ternary B-As-P system theoretically using first-principles calculations. We demonstrate that the icosahedral B12As2 is the only stable compound in the binary B-As system, while the zinc-blende BAs is thermodynamically unstable with respect to B12As2 and the pure arsenic phase at 0 K, and increasingly so at higher temperature, suggesting that BAs may merely exist as a metastable phase. On the contrary, in the binary B-P system, both zinc-blende BP and icosahedral B12P2 are predicted to be stable. As for the binary As-P system, As1 -xPx disordered alloys are predicted at elevated temperature—for example, a disordered solid solution of up to ˜75 at.% As in black phosphorus as well as a small solubility of ˜1 at.% P in gray arsenic at T =750 K, together with the presence of miscibility gaps. The calculated large solubility of As in black phosphorus explains the experimental syntheses of black-phosphorus-type As1 -xPx alloys with tunable compositions, recently reported in the literature. We investigate the phase stabilities in the ternary B-As-P system and demonstrate a high tendency for a formation of alloys in the icosahedral B12(As1 -xPx )2 structure by intermixing of As and P atoms at the diatomic chain sites. The phase diagram displays noticeable mutual solubility of the icosahedral subpnictides in each other even at room temperature as well as a closure of a pseudobinary miscibility gap around 900 K. As for pseudobinary BAs1 -xPx alloys, only a tiny amount of BAs is predicted to be able to dissolve in BP to form the BAs1 -xPx disordered alloys at elevated temperature. For example, less than 5% of BAs can dissolve in BP at T =1000 K. The small solubility limit of BAs in BP is attributed to the thermodynamic instability of BAs with respect to B12As2 and As.

  13. Spectroscopic evidence for ternary surface complexes in the lead(II)-malonic acid-hematite system

    USGS Publications Warehouse

    Lenhart, J.J.; Bargar, J.R.; Davis, J.A.

    2001-01-01

    Using extended X-ray absorption fine structure (EXAFS) and attenuated total reflectance Fourier-transform infrared (ATR-FTIR) measurements, we examined the sorption of Pb(II) to hematite in the presence of malonic acid. Pb LIII-edge EXAFS measurements performed in the presence of malonate indicate the presence of both Fe and C neighbors, suggesting that a major fraction of surface-bound malonate is bonded to adsorbed Pb(II). In the absence of Pb(II), ATR-FTIR measurements of sorbed malonate suggest the formation of more than one malonate surface complex. The dissimilarity of the IR spectrum of malonate sorbed on hematite to those for aqueous malonate suggest at least one of the sorbed malonate species is directly coordinated to surface Fe atoms in an inner-sphere mode. In the presence of Pb, little change is seen in the IR spectrum for sorbed malonate, indicating that geometry of malonate as it coordinates to sorbed Pb(II) adions is similar to the geometry of malonate as it coordinates to Fe in the hematite surface. Fits of the raw EXAFS spectra collected from pH 4 to pH 8 result in average Pb-C distances of 2.98 to 3.14 A??, suggesting the presence of both four- and six-membered Pb-malonate rings. The IR results are consistent with this interpretation. Thus, our results suggest that malonate binds to sorbed Pb(II) adions, forming ternary metal-bridging surface complexes. ?? 2001 Academic Press.

  14. On the importance of thermodynamic investigations for the re-assessment of selected ternary Fe-base systems

    NASA Astrophysics Data System (ADS)

    Presoly, P.; Bernhard, C.

    2016-07-01

    Reliable thermodynamic data are essential for the design and the production of new alloying systems. Particularly, the knowledge of the high-temperature phase transformations (TLiquid, TSolid, TPerit, Tγ→δ) are important for the solidification and the further processing. Investigations of selected commercial Dual-Phase, TRIP and high-Mn TWIP steels by DTA/DSC measurements show that the experimental results differ significantly from the calculation results of thermodynamic databases with respect to the phase transformation temperature and sequence. Based on these findings, it is very important to identify the defective subsystems of complex alloys in order to optimise the thermodynamic databases. In order to verify a quaternary system, e.g. the Fe-C-Si-Mn system, it is important to check the corresponding ternary subsystems. This was performed by DSC measurements of selected model alloys. By doing so, it was found that in Si- and Mn-alloyed Dual-Phase steels the thermodynamic description of the Fe-Si-Mn system is currently inadequate. This is a very important result, since all new designed steel grades for the automotive industry are based on a Fe-C-Si-Mn matrix.

  15. New ternary praseodymium germanides

    SciTech Connect

    Fedyna, M.F.; Pecharskii, V.K.; Bodak, O.I.

    1987-09-01

    Using the powder method (DRON-2.0 diffractometer; Fe K/sub ..cap alpha../ radiation; theta/2theta recording method, sin theta/sub max//lambda = 5 nm/sup -1/), the crystal structure of the ternary compounds Pr/sub 1-x/(NiGe)/sub 13/ (x = 0.24), Pr/sub 3/Ni/sub 4/Ge/sub 4/, Pr/sub 1-x/(CoGe)/sub 13/ (x = 0.31), Pr/sub 2/Co/sub 3/Ge/sub 5/, and PrFe/sub 1-x/Ge/sub 3/ (x = 0.46) were determined. The germanides P/sub 1-x/(NiGe)/sub 13/ and Pr/sub 1-x/(NiGe)/sub 13/ belong to the structural type of CeNi/sub 8.5/Si/sub 4.5/ and the ternary compounds Pr/sub 3/Ni/sub 4/Ge/sub 4/, Pr/sub 2/Co/sub 3/Ge/sub 5/, and PrFe/sub 1-x/Ge/sub 3/ crystallize in the structural types of U/sub 3/Ni/sub 4/Si/sub 4/, U/sub 2/Co/sub 3/Si/sub 5/, and BaNiSn/sub 3/. During investigations of the equilibrium phase diagrams of the systems Pr-/Fe, Co, Ni/-Ge, new ternary compounds were discovered, viz., Pr/sub 1-x/(NiGe)/sub 13/ (X = 0.24), Pr/sub 3/Ni/sub 4/Ge/sub 4/, Pr/sub 1-x/(CoGe)/sub 13/ (x = 0.31), Pr/sub 2/Co/sub 3/Ge/sub 5/, PrFe/sub 1-x/Ge/sub 3/ (x = 0.46).

  16. Pulsed Field Gradient NMR Self-Diffusion Study in Distinct Phases of the Ternary System Water/n -Heptane/Igepal CA-520

    PubMed

    Fleischer; Gratz; Karger; Meyer; Quitzsch

    1997-06-01

    We report on self-diffusion measurements of all the components in distinct phases of the ternary system water/n -heptane/Igepal CA-520 with pulsed field gradient NMR. The phases are also investigated with electron microscopy. The observed self-diffusion coefficients are discussed in comparison with the structural data obtained from the micrographs. They intimately reflect the effect of the phase state and phase boundaries on the molecular transport in this system.

  17. Peculiarities of thermoelectric half-Heusler phase formation in Gd-Ni-Sb and Lu-Ni-Sb ternary systems

    SciTech Connect

    Romaka, V.V.; Romaka, L.; Horyn, A.; Rogl, P.; Stadnyk, Yu; Melnychenko, N.; Orlovskyy, M.; Krayovskyy, V.

    2016-07-15

    The phase equilibria in the Gd–Ni–Sb and Lu-Ni-Sb ternary systems were studied at 873 K by X-ray and metallographic analyses in the whole concentration range. The interaction of the elements in the Gd–Ni–Sb system results the formation of five ternary compounds at investigated temperature: Gd{sub 5}Ni{sub 2}Sb (Mo{sub 5}SiB{sub 2}-type), Gd{sub 5}NiSb{sub 2} (Yb{sub 5}Sb{sub 3}-type), GdNiSb (MgAgAs-type), Gd{sub 3}Ni{sub 6}Sb{sub 5} (Y{sub 3}Ni{sub 6}Sb{sub 5}-type), and GdNi{sub 0.72}Sb{sub 2} (HfCuSi{sub 2}-type). At investigated temperature the Lu-Ni-Sb system is characterized by formation of the LuNiSb (MgAgAs-type), Lu{sub 5}Ni{sub 2}Sb (Mo{sub 5}SiB{sub 2}-type), and Lu{sub 5}Ni{sub 0.56}Sb{sub 2.44} (Yb{sub 5}Sb{sub 3}-type) compounds. The disordering in the crystal structure of half-Heusler GdNiSb and LuNiSb was revealed by EPMA and studied by means of Rietveld refinement and DFT modeling. The performed electronic structure calculations are in good agreement with electrical transport property studies. - Graphical abstract: Crystal structure model and electron localization function of Lu{sub 5}Ni{sub 2}Sb. Display Omitted - Highlights: • Gd-Ni-Sb and Lu-Ni-Sb phase diagrams were constructed at 873 K. • GdNiSb and LuNiSb are characterized by disordered crystal structure. • Crystal structure optimization with DFT calculations confirmed crystal structure disorder in GdNiSb and LuNiSb.

  18. Studies of high temperature ternary phases in mixed-metal-rich early transition metal sulfide and phosphide systems

    SciTech Connect

    Marking, Gregory Allen

    1994-01-04

    Investigations of ternary mixed early transition metal-rich sulfide and phosphide systems resulted in the discovery of new structures and new phases. A new series of Zr and Hf - group V transition metal - sulfur K-phases was synthesized and crystallographically characterized. When the group V transition metal was Nb or Ta, the unit cell volume was larger than any previously reported K-phase. The presence of adventitious oxygen was determined in two K-phases through a combination of neutron scattering and X-ray diffraction experiments. A compound Hf10Ta3S3 was found to crystallize in a new-structure type similar to the known gamma brasses. This structure is unique in that it is the only reported "stuffed" gamma-brass type structure. The metal components, Hf and Ta, are larger in size and more electropositive than the metals found in normal gamma brasses (e.g. Cu and Zn) and because of the larger metallic radii, sulfur can be incorporated into the structure where it plays an integral role in stabilizing this phase relative to others. X-ray single-crystal, X-ray powder and neutron powder refinements were performed on this structure. A new structure was found in the ternary Nb-Zr-P system which has characteristics in common with many known early transition metal-rich sulfides, selenides, and phosphides. This structure has the simplest known interconnection of the basic building blocks known for this structural class. Anomalous scattering was a powerful tool for differentiating between Zr and Nb when using Mo Kα X-radiation. The compounds ZrNbP and HfNbP formed in the space group Prima with the simple Co2Si structure which is among the most common structures found for crystalline solid materials. Solid solution compounds in the Ta-Nb-P, Ta-Zr-P, Nb-Zr-P, Hf-Nb-P, and Hf-Zr-S systems were crystallographically characterized. The structural information corroborated ideas about bonding in metal-rich compounds.

  19. Fundamental properties of Ti6Si2B—a new ternary phase in the Ti-Si-B system

    NASA Astrophysics Data System (ADS)

    Wdowik, Urszula D.; Jagło, Grzegorz

    2017-07-01

    Density functional theory studies combined with the method of quasi-harmonic phonons have been undertaken to describe structural, bonding, elastic, vibrational and thermal properties of Ti6Si2B, which is a new ternary phase in the Ti-Si-B system. Analysis of the results is performed in relation to selected compounds from the Ti-Si and Ti-B systems as well as available experimental data. Titanium borosilicide exhibits covalent-type bonds of different strength as indicated by the calculated electron localization functions and the Bader charges. Its elastic and thermal properties are anisotropic due to higher out-of-plane than in-plane lattice compressibility and thermal expansivity. Polycrystalline Ti6Si2B is predicted to be a brittle material with quite high Vicker’s hardness. It is shown that on one hand Ti6Si2B shares many common features with titanium silicides and borides, but on the other hand its mechanical, vibrational and thermal properties are distinct from those of compounds forming the Ti-Si and Ti-B systems. Theoretical phonon and Raman spectra, which are simulated at conditions close to experimental ones, may serve as a guide for interpretation and refinement of experimental spectra as well as symmetry mode assignment. The present work can be considered as a prediction study, still awaiting an experimental verification.

  20. Direct phase coexistence molecular dynamics study of the phase equilibria of the ternary methane-carbon dioxide-water hydrate system.

    PubMed

    Michalis, Vasileios K; Tsimpanogiannis, Ioannis N; Stubos, Athanassios K; Economou, Ioannis G

    2016-09-14

    Molecular dynamics simulation is used to predict the phase equilibrium conditions of a ternary hydrate system. In particular, the direct phase coexistence methodology is implemented for the determination of the three-phase coexistence temperature of the methane-carbon dioxide-water hydrate system at elevated pressures. The TIP4P/ice, TraPPE-UA and OPLS-UA forcefields for water, carbon dioxide and methane respectively are used, in line with our previous studies of the phase equilibria of the corresponding binary hydrate systems. The solubility in the aqueous phase of the guest molecules of the respective binary and ternary systems is examined under hydrate-forming conditions, providing insight into the predictive capability of the methodology as well as the combination of these forcefields to accurately describe the phase behavior of the ternary system. The three-phase coexistence temperature is calculated at 400, 1000 and 2000 bar for two compositions of the methane-carbon dioxide mixture. The predicted values are compared with available calculations with satisfactory agreement. An estimation is also provided for the fraction of the guest molecules in the mixed hydrate phase under the conditions examined.

  1. Coexistence of several sillenite-like phases in pseudo-binary and pseudo-ternary systems based on Bi2O3

    NASA Astrophysics Data System (ADS)

    Dapčević, Aleksandra; Poleti, Dejan; Karanović, Ljiljana; Rogan, Jelena; Dražič, Goran

    2013-11-01

    A series of polycrystalline samples containing sillenite-like (doped γ-Bi2O3) phases were prepared by high-temperature reactions from α-Bi2O3 powder and different oxides in six pseudo-binary Bi2O3-MxOy (M = Mn, Ti, V) and six pseudo-ternary Bi2O3-M1xOy-M2xOy (M1 = Pb, Zn, Ti and M2 = Zn, Ti, Si) systems. The products were characterized by XRD, SEM/EDX, HRTEM, SAED and DTA techniques. It is shown that for pseudo-binary systems, the phase composition of specimens depends on dopant content, while, for pseudo-ternary systems, depends on dopants radii, as well. In pseudo-binary systems, single-phase sillenites are obtained if the dopant content is in accordance with formula Bi12M4+O20, for M = Mn and Ti, and Bi(M0.85+)O, for M = V. However, two coexisting sillenite-like phases, doped compound and nominally undoped solid solution, are found if a half of that dopant quantity is applied. In pseudo-ternary systems, the phase-pure double-doped sillenite specimens are identified if ionic radii of dopants differ less than 40%. Otherwise, two coexisting sillenites were obtained. The possibility to prepare the undoped γ-Bi2O3 phase was also discussed.

  2. Effect of ordered defects on the crystal structure of In-rich ternary compounds of the Cu In Se system

    NASA Astrophysics Data System (ADS)

    Wasim, S. M.; Rincón, C.; Marín, G.; Delgado, J. M.; Contreras, J.

    2004-02-01

    A comparative study of the unit cell parameters and volume of the chalcopyrite-related ordered defect compounds and other In-rich phases of the Cu-In-Se ternary system is made. These compounds fall on the tie-line of (Cu2Se)1 - x(In2Se3)x. It is found that the unit cell parameters and volume of the compounds that can be derived from the formula Cun - 3Inn + 1Se2n, where n = 4,5,6,7,8 and 9, decrease with an increase in the fraction of cation vacancies to the total number of cation positions, m, or interacting donor-acceptor defect pairs (In_Cu^{ 2+},\\ 2V_Cu^{-1}) per unit l in the chemical formula. The reduction in the unit cell dimensions is explained as due to the decrease in the effective cation radius caused by the increase in m or l. This behaviour is consistent with Vegard's law. However, the unit cell parameters of other In-rich phases such as CuIn4Se6 and CuIn4Se7 reported in the literature do not follow this trend. It must be noted that with indium having a 3+ oxidation state, the formation of these materials can only be explained if the valence of Cu atoms is 0 and 2+, respectively, different from the 1+ expected for the members of the Cu2Se-In2Se3 system.

  3. Dynamics of spacing adjustment and recovery mechanisms of ABAC-type growth pattern in ternary eutectic systems

    NASA Astrophysics Data System (ADS)

    Mohagheghi, Samira; Şerefoğlu, Melis

    2017-07-01

    In directionally solidified 2D samples at ternary eutectic compositions, the stable three-phase pattern is established to be lamellar structure with ABAC stacking, where A, B, and C are crystalline phases. Beyond the stability limits of the ABAC pattern, the system uses various spacing adjustment mechanisms to revert to the stable regime. In this study, the dynamics of spacing adjustment and recovery mechanisms of isotropic ABAC patterns were investigated using three-phase In-Bi-Sn alloy. Unidirectional solidification experiments were performed on 23.0 and 62.7 μm-thick samples, where solidification front was monitored in real-time from both sides of the sample using a particular microscopy system. At these thicknesses, the pattern was found to be 2D during steady-state growth, i.e. both top and bottom microstructures were the same. However, during spacing adjustment and recovery mechanisms, 3D features were observed. Dynamics of two major instabilities, lamellae branching and elimination, were quantified. After these instabilities, two key ABAC pattern recovery mechanisms, namely, phase invasion and phase exchange processes, were identified and analyzed. After elimination, ABAC pattern is recovered by either continuous eliminations of all phases or by phase exchange. After branching, the recovery mechanisms are established to be phase invasion and phase exchange.

  4. Analysis of "solution effects" injury. Equations for calculating phase diagram information for the ternary systems NaCl-dimethylsulfoxide-water and NaCl-glycerol-water.

    PubMed Central

    Fahy, G M

    1980-01-01

    Slowly frozen cells are said to be subject to solution effects injury. An understanding of the mechanism of solution effects injury depends upon an understanding of the compositional changes brought about in the extracellular solution during the freezing process. To facilitate analysis of the mechanisms of freezing injury during slow cooling, empirical equations have been developed which permit a description of these changes in composition for the NaCl-dimethylsulfoxide-water ternary system and for the NaCl-glycerol-water ternary system. The equations describe the region of the phase diagram in which compositional changes are brought about only as a result of the precipitation of ice. The present phase diagram equations may be rearranged to give expression for composition variables such as water content, salt concentration, unfrozen fraction of the solution, etc., which may be employed in the analysis of the relationship between solution composition and solution effects injury. PMID:7260303

  5. The micro-flow reaction system featured the liquid-liquid interface created with ternary mixed carrier solvents in a capillary tube.

    PubMed

    Masuhara, Yuji; Jinno, Naoya; Hashimoto, Masahiko; Tsukagoshi, Kazuhiko

    2012-01-01

    A micro-flow reaction system was developed in which liquid-liquid interface was created based on the tube radial distribution of ternary mixed carrier solvents. The system was constructed from double capillary tubes having different inner diameters (100 and 250 µm i.d.). The smaller tube was inserted into the larger one through a T-type joint. The reaction of a protein with a fluorescence derivatizing reagent was adopted as a model. A water-acetonitrile mixture (3:1 volume ratio) including bovine serum albumin (hydrophilic) was delivered into the large tube from the inside through the small tube and an acetonitrile-ethyl acetate mixture (7:4 volume ratio) containing fluorescamine (hydrophobic) as a derivatizing reagent was delivered from the outside through the joint. Solutions were mixed through the double capillary tubes to promote ternary mixed carrier solvents (water-acetonitrile-ethyl acetate; 1:2:1 volume ratio). The liquid-liquid interface was created based on the tube radial distribution of ternary solvents in the larger tube. The derivatization reaction was performed in the larger, or reaction, tube in the micro-flow system. The fluorescence intensity of the fluorescamine-derivatized bovine serum albumin obtained by the system, which specifically included the kinetic liquid-liquid interface in the tube, was greater than that obtained through a batch reaction using a homogeneous solution of water-acetonitrile (1:2 volume ratio).

  6. Experimental Investigation and Thermodynamic Assessment of Phase Equilibria in the PLLA/Dioxane/Water Ternary System for Applications in the Biomedical Field.

    PubMed

    Ruggiero, Flavia; Netti, Paolo Antonio; Torino, Enza

    2015-12-01

    Fundamental understanding of thermodynamic of phase separation plays a key role in tuning the desired features of biomedical devices. In particular, phase separation of ternary solution is of remarkable interest in processes to obtain biodegradable and biocompatible architectures applied as artificial devices to repair, replace, or support damaged tissues or organs. In these perspectives, thermally induced phase separation (TIPS) is the most widely used technique to obtained porous morphologies and, in addition, among different ternary systems, polylactic acid (PLLA)/dioxane/water has given promising results and has been largely studied. However, to increase the control of TIPS-based processes and architectures, an investigation of the basic energetic phenomena occurring during phase separation is still required. Here we propose an experimental investigation of the selected ternary system by using isothermal titration calorimetric approach at different solvent/antisolvent ratio and a thermodynamic explanation related to the polymer-solvents interactions in terms of energetic contribution to the phase separation process. Furthermore, relevant information about the phase diagrams and interaction parameters of the studied systems are furnished in terms of liquid-liquid miscibility gap. Indeed, polymer-solvents interactions are responsible for the mechanism of the phase separation process and, therefore, of the final features of the morphologies; the knowledge of such data is fundamental to control processes for the production of membranes, scaffolds and several nanostructures. The behavior of the polymer at different solvent/nonsolvent ratios is discussed in terms of solvation mechanism and a preliminary contribution to the understanding of the role of the hydrogen bonding in the interface phenomena is also reported. It is the first time that thermodynamic data of a ternary system are collected by mean of nano-isothermal titration calorimetry (nano-ITC). Supporting

  7. In₂S₃/carbon nanofibers/Au ternary synergetic system: hierarchical assembly and enhanced visible-light photocatalytic activity.

    PubMed

    Zhang, Xin; Shao, Changlu; Li, Xinghua; Lu, Na; Wang, Kexin; Miao, Fujun; Liu, Yichun

    2015-01-01

    In this paper, carbon nanofibers (CNFs) were successfully synthesized by electrospinning technique. Next, Au nanoparticles (NPs) were assembled on the electrospun CNFs through in situ reduction method. By using the obtained Au NPs modified CNFs (CNFs/Au) as hard template, the In2S3/CNFs/Au composites were synthesized through hydrothermal technique. The results showed that the super long one-dimensional (1D) CNFs (about 306 nm in average diameter) were well connected to form a nanofibrous network; and, the Au NPs with 18 nm in average diameter and In2S3 nanosheets with 5-10nm in thickness were uniformly grown onto the surface of CNFs. Photocatalytic studies revealed that the In2S3/CNFs/Au composites exhibited highest visible-light photocatalytic activities for the degradation of Rhodamine B (RB) compared with pure In2S3 and In2S3/CNFs. The enhanced photocatalytic activity might arise from the high separation efficiency of photogenerated electron-hole pairs based on the positive synergetic effect between In2S3, CNFs and Au components in this ternary photocatalytic system. Meanwhile, the In2S3/CNFs/Au composites with hierarchical structure possess a strong adsorption ability towards organic dyes, which also contributed to the enhancement of photocatalytic activity. Moreover, the In2S3/CNFs/Au composites could be recycled easily by sedimentation due to their nanofibrous network structure.

  8. Optimization and application of homogeneous liquid-liquid extraction in preconcentration of copper (II) in a ternary solvent system.

    PubMed

    Farajzadeh, Mir Ali; Bahram, Morteza; Zorita, Saioa; Mehr, Behzad Ghorbani

    2009-01-30

    In this study a homogeneous liquid-liquid extraction based on the Ph-dependent phase-separation process was investigated using a ternary solvent system (water-acetic acid-chloroform) for the preconcentration of Cu(2+) ions. 8-Hydroxy quinoline was used as the chelating agent prior to its extraction. Flame atomic absorption spectrophotometry using acetylene-air flame was used for the quantitation of analyte after preconcentration. The effect of various experimental parameters in extraction step was investigated using two optimization methods, one variable at a time and central composite design. The experimental design was done at five levels of operating parameters. Nearly the same optimized results were obtained using both methods: sample size, 5 mL; volume of NaOH 10 M, 2 mL; chloroform volume, 300 microL; 8-hydroxy quinoline concentration more than 0.01 M and salt amount did not affect the extraction significantly. Under the optimum conditions the calibration graph was linear over the range 10-2000 microg L(-1). The relative standard deviation was 7.6% for six repeated determinations (C = 500 microg L(-1)). Furthermore, the limit of detection (S/N=3) and limit of quantification (S/N=10) of the method were obtained as 1.74 and 6 microg L(-1), respectively.

  9. Achieving both giant d(33) and high T(c) in patassium-sodium niobate ternary system.

    PubMed

    Cheng, Xiaojing; Wu, Jiagang; Lou, Xiaojie; Wang, Xiangjian; Wang, Xiaopeng; Xiao, Dingquan; Zhu, Jianguo

    2014-01-22

    Both giant d33 and high TC have been obtained in a lead-free piezoelectric ternary system (0.995 - x)K0.48Na0.52NbO3-0.005BiScO3-xBi0.5(Na0.7K0.2Li0.1)0.5ZrO3. Thanks to the rhombohedral-tetragonal phase coexistence and the enhanced dielectric and ferroelectric properties, the ceramic with a composition of x = 0.04 shows a giant d33 of ∼366 pC/N together with TC of ∼335 °C, thereby paving the way for achieving both high d33 and high TC in KNN-based materials. In addition, such a ceramic has a good thermal stability of d33 (e.g., d33 > 319 pC/N, T ≤ 300 °C) and an enhanced stability of ferroelectric properties against temperature. The domain-wall energy barrier of ∼0.15 eV is derived from the temperature dependence of the back-switching polarization.

  10. Competitive adsorption of Pb2+, Cd2+ and Zn2+ ions onto Eichhornia crassipes in binary and ternary systems.

    PubMed

    Mahamadi, Courtie; Nharingo, Tichaona

    2010-02-01

    A batch sorption technique was used to study the biosorption of Pb(2+), Cd(2+) and Zn(2+) ions onto the vastly abundant water hyacinth weed, Eichhornia crassipes biomass in binary and ternary systems at a temperature of 30 degrees C and pH 4.84. Mutual interference effects were probed using equilibrium adsorption capacity ratios, q(e)(')/q(e), where the prime indicates the presence of one or two other metal ions. The combined action of the metals was found to be antagonistic, and the metal sorption followed the order Pb(2+)>Cd(2+)>Zn(2+). The behaviour of competitive biosorption for Pb-Cd and Pb-Zn combinations were successfully described by the Langmuir Competitive Model (CLM), whilst the model showed poor fitting to the Cd-Zn data. In conclusion, Pb(2+) ions could still be effectively removed from aqueous solution in the presence of both Cd(2+) and Zn(2+) ions, but removal of the Cd(2+) and Zn(2+) ions would be suppressed in the presence of Pb(2+).

  11. Gel/Space Ratio Evolution in Ternary Composite System Consisting of Portland Cement, Silica Fume, and Fly Ash.

    PubMed

    Wu, Mengxue; Li, Chen; Yao, Wu

    2017-01-11

    In cement-based pastes, the relationship between the complex phase assemblage and mechanical properties is usually described by the "gel/space ratio" descriptor. The gel/space ratio is defined as the volume ratio of the gel to the available space in the composite system, and it has been widely studied in the cement unary system. This work determines the gel/space ratio in the cement-silica fume-fly ash ternary system (C-SF-FA system) by measuring the reaction degrees of the cement, SF, and FA. The effects that the supplementary cementitious material (SCM) replacements exert on the evolution of the gel/space ratio are discussed both theoretically and practically. The relationship between the gel/space ratio and compressive strength is then explored, and the relationship disparities for different mix proportions are analyzed in detail. The results demonstrate that the SCM replacements promote the gel/space ratio evolution only when the SCM reaction degree is higher than a certain value, which is calculated and defined as the critical reaction degree (CRD). The effects of the SCM replacements can be predicted based on the CRD, and the theological predictions agree with the test results quite well. At low gel/space ratios, disparities in the relationship between the gel/space ratio and the compressive strength are caused by porosity, which has also been studied in cement unary systems. The ratio of cement-produced gel to SCM-produced gel ( G C to G S C M ratio) is introduced for use in analyzing high gel/space ratios, in which it plays a major role in creating relationship disparities.

  12. Gel/Space Ratio Evolution in Ternary Composite System Consisting of Portland Cement, Silica Fume, and Fly Ash

    PubMed Central

    Wu, Mengxue; Li, Chen; Yao, Wu

    2017-01-01

    In cement-based pastes, the relationship between the complex phase assemblage and mechanical properties is usually described by the “gel/space ratio” descriptor. The gel/space ratio is defined as the volume ratio of the gel to the available space in the composite system, and it has been widely studied in the cement unary system. This work determines the gel/space ratio in the cement-silica fume-fly ash ternary system (C-SF-FA system) by measuring the reaction degrees of the cement, SF, and FA. The effects that the supplementary cementitious material (SCM) replacements exert on the evolution of the gel/space ratio are discussed both theoretically and practically. The relationship between the gel/space ratio and compressive strength is then explored, and the relationship disparities for different mix proportions are analyzed in detail. The results demonstrate that the SCM replacements promote the gel/space ratio evolution only when the SCM reaction degree is higher than a certain value, which is calculated and defined as the critical reaction degree (CRD). The effects of the SCM replacements can be predicted based on the CRD, and the theological predictions agree with the test results quite well. At low gel/space ratios, disparities in the relationship between the gel/space ratio and the compressive strength are caused by porosity, which has also been studied in cement unary systems. The ratio of cement-produced gel to SCM-produced gel (GC to GSCM ratio) is introduced for use in analyzing high gel/space ratios, in which it plays a major role in creating relationship disparities. PMID:28772420

  13. TERNARY PHASE EQUILIBRIA IN TRANSITION METAL-BORON-CARBON-SILICON SYSTEMS. PART 4. THERMOCHEMICAL CALCULATIONS, VOLUME 3. COMPUTATIONAL APPROACH TO THE CALCULATION OF TERNARY PHASE DIAGRAMS

    DTIC Science & Technology

    The general conditional equations which govern the phase equilibria in three-component systems are presented. Using the general conditional equations...a general method has been developed to precalculate the phase equilibria in three-component systems from first principle using computer technique...The method developed has been applied to several model examples and the system Ta-Hf-C. The phase equilibria in three-component systems calculated

  14. Some Geometric Aspects of the Ternary Diagram.

    ERIC Educational Resources Information Center

    Philip, G. M.; Watson, D. F.

    1989-01-01

    Uses the process of normalization in the Cartesian coordinate system which entails radial projection onto a transect to compare different compositions of minerals. Warns that the ternary diagram should not be used as a framework for calculations. (MVL)

  15. Methane: An equation of state with application to the ternary system H 2O-CO 2-CH 4

    NASA Astrophysics Data System (ADS)

    Jacobs, Gary K.; Kerrick, Derrill M.

    1981-05-01

    The following hardsphere modified Redlich-Kwong (HSMRK) equation of state was obtained by least squares fitting to available P- V- T data for methane ( P in bars; T in Kelvins; v in cm 3 mol -1; b = 60.00 cm 3 mol -1; R = 83.14 cm 3barmol-1K-1): P RT(1 + y + y 2-y 3/v(1-y) 3) - c(T) + d(T)/v + e(T)/v 2/v(v + b)T 1/2y = b/4vc( T) = 13.403 × 10 6 + (9.28 × 10 4) T + 2.7 T2d( T) = 5.216 × 10 9 - (6.8 × 10 6) T + (3.28 × 10 3) T2e( T) = (-2.3322 × 10 11) + (6.738 × 10 8) T + (3.179 × 10 5) T2 For the P- T range of experimental data used in the fit (50 to 8600 bars and from 320 to 670 K), calculated volumes and fugacity coefficients for CH 4 relative to experimentally determined volumes and fugacity coefficients have average percent deviations of 0.279 and 1.373, respectively. The HSMRK equation, which predicts linear isochores over a wide P- T range, should yield reasonable estimates of fugacity coefficients for CH 4 to pressures and temperatures well outside the P- T range of available P- V- T data. Calculations for the system H2O- CO2- CH4, using the HSMRK equations for H 2O and CO 2 of Kerrick and Jacobs (1981) and the HSMRK equation for CH 4 of this study, indicate that compared to the binary H 2O-CO 2 system, small amounts of CH 4 in the ternary system H 2O-CO 2-CH 4 slightly increases the activity of H 2O, and significantly decreases the activity of CO 2.

  16. All-optical symmetric ternary logic gate

    NASA Astrophysics Data System (ADS)

    Chattopadhyay, Tanay

    2010-09-01

    Symmetric ternary number (radix=3) has three logical states (1¯, 0, 1). It is very much useful in carry free arithmetical operation. Beside this, the logical operation using this type of number system is also effective in high speed computation and communication in multi-valued logic. In this literature all-optical circuits for three basic symmetrical ternary logical operations (inversion, MIN and MAX) are proposed and described. Numerical simulation verifies the theoretical model. In this present scheme the different ternary logical states are represented by different polarized state of light. Terahertz optical asymmetric demultiplexer (TOAD) based interferometric switch has been used categorically in this manuscript.

  17. Ternary polyplex micelles with PEG shells and intermediate barrier to complexed DNA cores for efficient systemic gene delivery.

    PubMed

    Li, Junjie; Chen, Qixian; Zha, Zengshi; Li, Hui; Toh, Kazuko; Dirisala, Anjaneyulu; Matsumoto, Yu; Osada, Kensuke; Kataoka, Kazunori; Ge, Zhishen

    2015-07-10

    Simultaneous achievement of prolonged retention in blood circulation and efficient gene transfection activity in target tissues has always been a major challenge hindering in vivo applications of nonviral gene vectors via systemic administration. Herein, we constructed novel rod-shaped ternary polyplex micelles (TPMs) via complexation between the mixed block copolymers of poly(ethylene glycol)-b-poly{N'-[N-(2-aminoethyl)-2-aminoethyl]aspartamide} (PEG-b-PAsp(DET)) and poly(N-isopropylacrylamide)-b-PAsp(DET) (PNIPAM-b-PAsp(DET)) and plasmid DNA (pDNA) at room temperature, exhibiting distinct temperature-responsive formation of a hydrophobic intermediate layer between PEG shells and pDNA cores through facile temperature increase from room temperature to body temperature (~37 °C). As compared with binary polyplex micelles of PEG-b-PAsp(DET) (BPMs), TPMs were confirmed to condense pDNA into a more compact structure, which achieved enhanced tolerability to nuclease digestion and strong counter polyanion exchange. In vitro gene transfection results demonstrated TPMs exhibiting enhanced gene transfection efficiency due to efficient cellular uptake and endosomal escape. Moreover, in vivo performance evaluation after intravenous injection confirmed that TPMs achieved significantly prolonged blood circulation, high tumor accumulation, and promoted gene expression in tumor tissue. Moreover, TPMs loading therapeutic pDNA encoding an anti-angiogenic protein remarkably suppressed tumor growth following intravenous injection into H22 tumor-bearing mice. These results suggest TPMs with PEG shells and facilely engineered intermediate barrier to inner complexed pDNA have great potentials as systemic nonviral gene vectors for cancer gene therapy.

  18. Isothermal section of the La-Mg-Sn system at 500 °C and crystal structure of the new ternary stannide LaMgSn2

    NASA Astrophysics Data System (ADS)

    De Negri, S.; Solokha, P.; Minetti, R.; Skrobańska, M.; Saccone, A.

    2017-04-01

    The 500 °C isothermal section of the La-Mg-Sn ternary system was established by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDXS) and powder X-ray diffraction (XRPD) on more than fifty alloys synthesized by induction melting and annealed. A few boundary binary compounds were found to dissolve the third element, forming ternary solid solutions, among which La(MgxSn1-x)3 (0≤x≤0.14, cP4-AuCu3) is the most extended. The existence and crystal structure of three ternary compounds were confirmed, and their homogeneity ranges at 500 °C determined: La3Mg4-xSn2+x (0.12≤x≤0.40, hP9-Zr3Cu4Si2), LaMg3-xSn2 (0.33≤x≤0.78, hP34-LaMg3-xGe2) and LaMgSn (oP12-TiNiSi). The crystal structures of two novel ternary stoichiometric compounds, found during this work, were determined from powder X-ray diffraction pattern analysis and refined using the Rietveld method: La6Mg23Sn (Fm 3 bar m , cF120-Zr6Zn23Si, a =1.47107(1) nm) and LaMgSn2 (I 4 bar 2 m , tI32-LaMgSn2, a =0.83325(3) nm, c =1.24385(5) nm). The latter is the first representative of a new structure type and can be presented as composed by a complex Mg-Sn network hosting the bigger La atoms.

  19. Rational Development of Ternary Alloy Electrocatalysts

    SciTech Connect

    Wang, Chao; Li, Dongguo; Chi, Miaofang; Pearson, John; Rankin, Rees; Greeley, Jeff; Duan, Zhiyao; Wang, Guofeng; Van der Vliet, Dennis; More, Karren Leslie; Markovic, Nenad; Stamenkovic, Vojislav

    2012-01-01

    Improving the efficiency of electrocatalytic reduction of oxygen represents one of the main challenges for the development of renewable energy technologies. Here, we report the systematic evaluation of Pt-ternary alloys (Pt{sub 3}(MN){sub 1} with M, N = Fe, Co, or Ni) as electrocatalysts for the oxygen reduction reaction (ORR). We first studied the ternary systems on extended surfaces of polycrystalline thin films to establish the trend of electrocatalytic activities and then applied this knowledge to synthesize ternary alloy nanocatalysts by a solvothermal approach. This study demonstrates that the ternary alloy catalysts can be compelling systems for further advancement of ORR electrocatalysis, reaching higher catalytic activities than bimetallic Pt alloys and improvement factors of up to 4 versus monometallic Pt.

  20. Breakthrough studies with mono-, binary- and ternary-ion systems comprised of Fe(II), F(-) and As(III) using river sand packed columns for groundwater treatment.

    PubMed

    Ahamad, Kamal Uddin; Jawed, Mohammad

    2013-06-01

    Groundwater in Assam, India, contains excessive amounts of arsenic (As(III)), fluoride (F(-)) and iron (Fe(II)). The rural and semi-urban population of Assam uses indigenous iron filters fabricated using processed sand (PS) as one of the chief constituents to reduce Fe(II) concentration; however, no efforts have been made to reduce As(III) or F(-) concentrations before use. The present work is directed towards assessing the potential of PS for removal of these ions from mono-, binary- and ternary-ion systems through continuous mode column studies. Synthetic water samples containing fixed concentration of ions were prepared using deionized water. The observed order of breakthrough of ions was: As(III) followed by Fe(II) and F(-) followed by Fe(II) in the case of the binary ion systems of Fe(II) + As(III) and Fe(II) + F(-). The throughput volume for As(III) in the (Fe(II) + As(III)) system and for F(-) in the (Fe(II) + F(-)) system is termed the critical breakthrough throughput volume. In the ternary ion system (Fe(II) + As(III) + F(-)), the order of breakthrough of ions observed was F(-), then As(III) and then Fe(II) and hence the throughput volume F(-) is termed the critical breakthrough throughput volume. Results of column studies also indicate the impact on the uptake of the selected ion by the presence of the other ion present in the binary- and ternary-ion systems.

  1. Novel Stable Compounds in the C-H-O Ternary System at High Pressure

    PubMed Central

    Saleh, Gabriele; Oganov, Artem R.

    2016-01-01

    The chemistry of the elements is heavily altered by high pressure, with stabilization of many new and often unexpected compounds, the emergence of which can profoundly change models of planetary interiors, where high pressure reigns. The C-H-O system is one of the most important planet-forming systems, but its high-pressure chemistry is not well known. Here, using state-of-the-art variable-composition evolutionary searches combined with quantum-mechanical calculations, we explore the C-H-O system at pressures up to 400 GPa. Besides uncovering new stable polymorphs of high-pressure elements and known molecules, we predicted the formation of new compounds. A 2CH4:3H2 inclusion compound forms at low pressure and remains stable up to 215 GPa. Carbonic acid (H2CO3), highly unstable at ambient conditions, was predicted to form exothermically at mild pressure (about 1 GPa). As pressure rises, it polymerizes and, above 314 GPa, reacts with water to form orthocarbonic acid (H4CO4). This unexpected high-pressure chemistry is rationalized by analyzing charge density and electron localization function distributions, and implications for general chemistry and planetary science are also discussed. PMID:27580525

  2. Novel Stable Compounds in the C-H-O Ternary System at High Pressure

    NASA Astrophysics Data System (ADS)

    Saleh, Gabriele; Oganov, Artem R.

    2016-09-01

    The chemistry of the elements is heavily altered by high pressure, with stabilization of many new and often unexpected compounds, the emergence of which can profoundly change models of planetary interiors, where high pressure reigns. The C-H-O system is one of the most important planet-forming systems, but its high-pressure chemistry is not well known. Here, using state-of-the-art variable-composition evolutionary searches combined with quantum-mechanical calculations, we explore the C-H-O system at pressures up to 400 GPa. Besides uncovering new stable polymorphs of high-pressure elements and known molecules, we predicted the formation of new compounds. A 2CH4:3H2 inclusion compound forms at low pressure and remains stable up to 215 GPa. Carbonic acid (H2CO3), highly unstable at ambient conditions, was predicted to form exothermically at mild pressure (about 1 GPa). As pressure rises, it polymerizes and, above 314 GPa, reacts with water to form orthocarbonic acid (H4CO4). This unexpected high-pressure chemistry is rationalized by analyzing charge density and electron localization function distributions, and implications for general chemistry and planetary science are also discussed.

  3. Syntheses and structural characterization of zirconium-tin and zirconium-lead binary and ternary systems

    SciTech Connect

    Kwon, Y.U.

    1991-01-28

    The binary zirconium-tin system was reinvestigated. The A15 phase appears to be a line phase with a Zr{sub 4}Sn composition. The Zr{sub 5}Sn{sub 3} (Mn{sub 5}Si{sub 3}-type) and Zr{sub 5}Sn{sub 4} (Ti{sub 5}Ga{sub 4}-type) compounds are line phases below 1000{degree}C, the latter being a self-interstitial phase of the former. ZrSn{sub 2} is the tin-richest phase. There is an one-phase region between these phases with partial self-interstitials at high temperatures. The zirconium-lead system behaves similarly: there are an A15 phase with a Zr{sub {approximately}5.8}Pb composition, Zr{sub 5}Pb{sub 3} (Mn{sub 5}Si{sub 3}-type) and Zr{sub 5}Pb{sub 4} (Ti{sub 5}Ga{sub 4-type}) compounds, and a high temperature solid solution between Zr{sub 5}Pb{sub >3.5} and Zr{sub 5}Pb{sub 4} from below 1000{degree}C; however, the ZrSn{sub 2} analogue is not formed. The Mn{sub 5}Si{sub 3}-type phases in these systems can accommodate third elements interstitially to form stoichiometric compounds Zr{sub 5}Sn{sub 3}Z (Z = B, C, N, O, Al, Si, P, S, Cu, Zn, Ga, Ge, and As and Se) and Zr{sub 5}Pb{sub 3}Z (Z = Al, Si, P, S, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Ag, Cd, In, Sn, Sb and Te) as well as their self-interstitial derivatives. The systems Zr-Sn-T, T = Fe, Co and Ni, did not produce stoichiometric interstitial phases Zr{sub 5}Sn{sub 3}T. Instead, the interstitial phases for these elements are formed only with excess tin that partially occupies the interstitial site together with a T element. Reducing the amount of tin in these systems yields two new phases; Zr{sub 5}Sn{sub 2+x}Fe{sub 1-x} (0 {le} {times} {le} 0.28) (W{sub 5}Si{sub 3}-type) and Zr{sub 6}Sn{sub 2}Fe (Zr{sub 6}Al{sub 2}Co-type) as characterized by X-ray single crystal analyses. A cobalt analogue for the latter was also synthesized.

  4. Chemical effects in ion mixing of a ternary system (metal-SiO2)

    NASA Technical Reports Server (NTRS)

    Banwell, T.; Nicolet, M.-A.; Sands, T.; Grunthaner, P. J.

    1987-01-01

    The mixing of Ti, Cr, and Ni thin films with SiO2 by low-temperature (- 196-25 C) irradiation with 290 keV Xe has been investigated. Comparison of the morphology of the intermixed region and the dose dependences of net metal transport into SiO2 reveals that long range motion and phase formation probably occur as separate and sequential processes. Kinetic limitations suppress chemical effects in these systems during the initial transport process. Chemical interactions influence the subsequent phase formation.

  5. Concentration fields of the ternary systems and trajectory of phases in T-x-y Diagrams

    NASA Astrophysics Data System (ADS)

    Lutsyk, V.; Zelenaya, A.

    2017-01-01

    The possibility of computer models of T-x-y diagrams for analysis two-, one- and zero-dimensional concentration fields are demonstrated using T-x-y diagram of systems CaO-SiO2-Al2O3 and MgO-SiO2-Al2O3. The characteristics of processes proceeding in the concentration fields can be analyzed with the help of diagrams of vertical mass balances, which show the increase or decrease of phases portions for each phase region. Calculation of crystallization paths was made.

  6. Comparative study on metal biosorption by two macroalgae in saline waters: single and ternary systems.

    PubMed

    Figueira, Paula; Henriques, Bruno; Teixeira, Ana; Lopes, Cláudia B; Reis, Ana T; Monteiro, Rui J R; Duarte, A C; Pardal, M A; Pereira, E

    2016-06-01

    The biosorption capability of two marine macroalgae (green Ulva lactuca and brown Fucus vesiculosus) was evaluated in the removal of toxic metals (Hg, Cd and Pb) from saline waters, under realistic conditions. Results showed that, independently of the contamination scenario tested, both macroalgae have a remarkable capacity to biosorb Hg and Pb. In single-contaminant systems, by using only c.a. 500 mg of non-pre-treated algae biomass (size <200 μm) per litter, it was possible to achieve removal efficiencies between 96 and 99 % for Hg and up to 86 % for Pb. Despite the higher removal of Hg, equilibrium was reached more quickly for Pb (after 8 h). In multi-contaminant systems, macroalgae exhibited a similar selectivity toward the target metals: Hg > Pb> > Cd, although Pb removal by U. lactuca was more inhibited than that achieved by F. vesiculosus. Under the experimental conditions used, none of the macroalgae was effective to remove Cd (maximum removal of 20 %). In all cases, the kinetics of biosorption was mathematically described with success. Globally, it became clear that the studied macroalgae may be part of simple, efficient, and cost-effective water treatment technologies. Nevertheless, Fucus vesiculosus has greater potential, since it always presented higher initial sorption rates and higher removal efficiencies.

  7. Ternary Chlorides in the Systems ACl/TmCl 3( A=Cs, Rb, K)

    NASA Astrophysics Data System (ADS)

    Zheng, Chagoui; Seifert, Hans J.

    1998-01-01

    The phase diagrams of the systemsACl/TmCl3(A=Cs, Rb, K) were investigated by DTA and XRD. CompoundsA3TmCl6,A2TmCl5,ATm2Cl7, and Cs3Tm2Cl9exist. Rb2TmCl5is the first 2:1 compound in the series La to Lu crystallizing in the Cs2DyCl5structure with connected [TmCl6] octahedra. By emf vsTmeasurements in galvanic chlorine cells for solid electrolytes for all compounds,ATm2Cl7excepted, the thermodynamic functions for the formation from the compounds adjacent in the phase diagrams could be determined.

  8. Ternary ionic liquid-water pretreatment systems of an agave bagasse and municipal solid waste blend.

    PubMed

    Perez-Pimienta, Jose A; Sathitsuksanoh, Noppadon; Thompson, Vicki S; Tran, Kim; Ponce-Noyola, Teresa; Stavila, Vitalie; Singh, Seema; Simmons, Blake A

    2017-01-01

    Pretreatment is necessary to reduce biomass recalcitrance and enhance the efficiency of enzymatic saccharification for biofuel production. Ionic liquid (IL) pretreatment has gained a significant interest as a pretreatment process that can reduce cellulose crystallinity and remove lignin, key factors that govern enzyme accessibility. There are several challenges that need to be addressed for IL pretreatment to become viable for commercialization, including IL cost and recyclability. In addition, it is unclear whether ILs can maintain process performance when utilizing low-cost, low-quality biomass feedstocks such as the paper fraction of municipal solid waste (MSW), which are readily available in high quantities. One approach to potentially reduce IL cost is to use a blend of ILs at different concentrations in aqueous mixtures. Herein, we describe 14 IL-water systems with mixtures of 1-ethyl-3-ethylimidazolium acetate ([C2C1Im][OAc]), 1-butyl-3-ethylimidazolium acetate ([C4C1Im][OAc]), and water that were used to pretreat MSW blended with agave bagasse (AGB). The detailed analysis of IL recycling in terms of sugar yields of pretreated biomass and IL stability was examined. Both biomass types (AGB and MSW) were efficiently disrupted by IL pretreatment. The pretreatment efficiency of [C2C1Im][OAc] and [C4C1Im][OAc] decreased when mixed with water above 40%. The AGB/MSW (1:1) blend demonstrated a glucan conversion of 94.1 and 83.0% using IL systems with ~10 and ~40% water content, respectively. Chemical structures of fresh ILs and recycle ILs presented strong similarities observed by FTIR and (1)H-NMR spectroscopy. The glucan and xylan hydrolysis yields obtained from recycled IL exhibited a slight decrease in pretreatment efficiency (less than 10% in terms of hydrolysis yields compared to that of fresh IL), and a decrease in cellulose crystallinity was observed. Our results demonstrated that mixing ILs such as [C2C1Im][OAc] and [C4C1Im][OAc] and blending the paper

  9. Ternary ionic liquid–water pretreatment systems of an agave bagasse and municipal solid waste blend

    DOE PAGES

    Perez-Pimienta, Jose A.; Sathitsuksanoh, Noppadon; Thompson, Vicki S.; ...

    2017-03-21

    Background: Pretreatment is necessary to reduce biomass recalcitrance and enhance the enzymatic saccharification for biofuel production. Ionic liquid (IL) pretreatment has gained a significant interest as a pretreatment process that can reduce biomass crystallinity, remove lignin, and thus obtain higher enzymatic saccharification yields. However, there are several challenges that need to be overcome for the IL pretreatment to become viable for commercialization, including IL cost and recyclability. In addition to maintain process performance by blending high quality (e.g. agave bagasse) and low cost biomass feedstocks such as municipal solid waste (MSW) which is readily available in high quantities. One approachmore » to potentially reduce IL cost is to use a blend of ILs at different concentrations in aqueous mixtures. Herein, we describe 14 IL-water systems with mixtures of 1-ethyl-3-ethylimidazolium acetate ([C2C1Im][OAc]) and 1-butyl-3-ethylimidazolium acetate ([C4C1Im][OAc]) used to pretreat MSW blended with agave bagasse (AGB). The detailed analysis of IL recycling in terms of sugar yields of pretreated biomass and IL stability was examined. Results: Both biomass types (AGB and MSW) were efficiently disrupted by IL pretreatment. The pretreatment efficiency of [C2C1Im][OAc] and [C4C1Im][OAc] decreased when mixed with water above 40%. The AGB/MSW (1:1) blend demonstrated a glucan conversion of 94.1% and 83.0% using IL systems with ~10% and ~40% water content, respectively. Chemical structures of fresh ILs and recycle ILs presented strong similarities observed by FTIR and 1H-NMR spectroscopy. The glucan and xylan hydrolysis yields obtained from recycled IL exhibited a slight decrease in pretreatment efficiency (less than 10% in terms of hydrolysis yields compared to that of fresh IL), and a decrease in cellulose crystallinity trend was observed. Conclusions: Our results demonstrated the mixing ILs such as [C2C1Im][OAc] and [C4C1Im][OAc] and blending MSW with

  10. Crystallization of mannitol below Tg' during freeze-drying in binary and ternary aqueous systems.

    PubMed

    Pyne, Abira; Surana, Rahul; Suryanarayanan, Raj

    2002-06-01

    To characterize the phase transitions in a multicomponent system during the various stages of the freeze-drying process and to evaluate the crystallization behavior below Tg' (glass transition temperature of maximally freeze-concentrated amorphous phase) in frozen aqueous solutions and during freeze-drying. X-ray powder diffractometry (XRD) and differential scanning calorimetry (DSC) were used to study frozen aqueous solutions of mannitol with or without trehalose. By attaching a vacuum pump to the low-temperature stage of the diffractometer, it was possible to simulate the freeze-drying process in situ in the sample chamber of the XRD. This enabled real-time monitoring of the solid state of the solutes during the process. In rapidly cooled aqueous solutions containing only mannitol (10% w/w), the solute was retained amorphous. Annealing of frozen solutions or primary drying. both below Tg', resulted in crystallization of mannitol hydrate. Similar effects were observed in the presence of trehalose (2% w/w). At higher concentrations (> or =5% w/w) of this noncrystallizing sugar. annealing below Tg' led to nucleation but not crystallization. However, during primary drying, crystallization of mannitol hydrate was observed. The combination of in situ XRD and DSC has given a unique insight into phase transitions during freeze-drying as a function of processing conditions and formulation variables. In the presence of trehalose, mannitol crystallization was inhibited in frozen solutions but not during primary drying.

  11. Evaluation of Static Thermophysical Properties of the Ternary Molten Salt System Li, Na and Be/F Based on the Modified Peng-Robinson Equation

    NASA Astrophysics Data System (ADS)

    Zhang, Dalin; Qiu, Suizheng; Su, Guanghui; Jia, Dounan

    The static thermophysical properties of the molten salt system like LiF-NaF-BeF2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 0.15LiF-0.58NaF-0.27BeF2, over the temperature range from 873.15K to 1073.15K at one atmosphere pressure, is described by using modified Peng-Robinson equation. The density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermophysical properties such as the enthalpy, entropy and heat capacity at constant pressure are evaluated by the fugacity coefficient and residual function methods respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and heat capacity evaluated by such two different methods are consistent with each other. It could be concluded that the modified Peng-Robinson equation could be applicable to estimate the density of the molten salt system, and the Peng-Robinson equation is recommended to be as the fundamental to evaluate the enthalpy, entropy and heat capacity of the molten salt system.

  12. Ambiguities in Powder Indexing: Conjunction of a Ternary and Binary Lattice Metric Singularity in the Cubic System.

    PubMed

    Mighell, Alan D

    2004-01-01

    A lattice metric singularity occurs when unit cells defining two (or more) lattices yield the identical set of unique calculated d-spacings. The existence of such singularities, therefore, has a practical and theoretical impact on the indexing of powder patterns. For example, in experimental practice an indexing program may find only the lower symmetry member of a singularity. Obviously, it is important to recognize such cases and know how to proceed. Recently, we described: a binary singularity involving a monoclinic and a rhombohedral lattice in a subcell-supercell relationship anda second type of singularity-a ternary singularity-in which two of the three lattices are in a derivative composite relationship. In this work, we describe a ternary lattice metric singularity involving a cubic P, a tetragonal P, and an orthorhombic C lattice. Furthermore, there is a binary singularity, involving a hexagonal P and orthorhombic P lattice, which is characterized by a set of unique d-spacings very close to that of the ternary singularity. The existence of such singularities is more common than once thought and requires a paradigm shift in experimental practice. In addition singularities provide opportunities in material design as they point to highly specialized lattices that may be associated with unusual physical properties.

  13. Solubility in the ternary system CaSO4 + Na2SO4 + H2O at 298.15 K

    NASA Astrophysics Data System (ADS)

    Popović, D.; Stupar, G.; Miladinović, J.; Todorović, M.; Zrilić, M.

    2011-12-01

    The solubility in the ternary system, aqueous mixture of CaSO4 and Na2SO4, at T = 298.15 K comprises five different salts: calcium sulfate dihydrate, mirabilite, thenardite, glauberite and labile salt. Using the Extended Pitzer's Ion Interaction model for pure and mixed electrolyte solutions and criteria of phase equilibria, predicted solubility behavior of salts was compared with experimental results from literature. The agreement between calculated and experimental solubilities was excellent in the ionic strength range up to 10.9062 mol kg-1.

  14. Glass forming in La2O3-TiO2-ZrO2 ternary system by containerless processing

    NASA Astrophysics Data System (ADS)

    Kaneko, Masashi; Kentei Yu, Yu; Kumar, Vijaya; Masuno, Atsunobu; Inoue, Hiroyuki; Odawara, Osamu; Yoda, Shinichi

    The containerless processing is an appropriate method to create new glasses, because it sup-presses nucleation at the boundary between liquid and crucible during solidification and it enables molten samples to be solidified without crystallization. Recently, we have succeeded in forming BaTi2 O5 glass in the bulk state by using an aerodynamic levitation furnace. BaTi2 O5 glass includes no traditional glass network former and it possesses high electric permittivity [1, 2]. From the point of view of optical application, BaTi2 O5 glass has high refractive indices over 2.1. BaTi2 O5 glass, however, vitrify only in a small sphere, and it crystallize when its diameter exceed 1.5 mm. In order to synthesize new titanate oxide glasses which possess higher refractive indices and larger diameter than BaTi2 O5 , La and Zr can be used as substitutive components. When Ba is replaced with La, refractive indices are expected to increase because of the heavier element. The addition of a third element is thought to be effective for enhance-ment of glass formation ability and Zr can be a candidate because Ti and Zr are homologous. In this research, we have succeeded in forming new bulk glass in La2 O3 -TiO2 -ZrO2 ternary system by means of the aerodynamic levitation furnace. We investigated the glass forming region, thermal properties and optical properties of La2 O3 -TiO2 -ZrO2 glass. Glass transition temperature, crystallization temperature, density, refractive indices and transmittance spectra were varied depending on the chemical composition. Reference [1] J. Yu et al, "Fabrication of BaTi2O5 Glass-Ceramics with Unusual Dielectric Properties during Crystallization", Chem-istry of Materials, 18 (2006) 2169-2173. [2] J. Yu et al., "Comprehensive Structural Study of Glassy and Metastable Crystalline BaTi2O5", Chemistry of Materials, 21 (2009) 259-263.

  15. Glass to crystal transformation in the ternary BaOsbnd Nb2O5sbnd P2O5 system

    NASA Astrophysics Data System (ADS)

    Kalenda, Petr; Koudelka, Ladislav; Mošner, Petr; Montagne, Lionel; Revel, Bertrand; Trebosc, Julien

    2017-09-01

    Study of the glass to crystal transformation was realized for two ternary compounds belonging to the glass-forming region of the BaOsbnd Nb2O5sbnd P2O5 system: Ba3Nb2(PO4)4O2 with 16.66 mol% Nb2O5 (glass composition 3BaO.1Nb2O5.2P2O5) and BaNb2P2O11 with 33.33 mol% Nb2O5 (glass composition 1BaO.1Nb2O5.1P2O5). Physico-chemical properties of the corresponding glasses and crystals were compared, as well as their Raman, 31P and 93Nb NMR spectra. The density of polycrystalline samples is higher by 0.24-0.25 g cm-3 than the density of the corresponding glasses. 31P MAS NMR spectra show a close similarity of phosphorus environments in glasses and the corresponding crystalline samples. High-field (18.8T) NMR and 93Nb decoupling were necessary to obtain enough resolution on 31P NMR spectra to separate the 2 different short range environments of phosphorus atoms in Ba3Nb2(PO4)4O2. Static 93Nb NMR spectra showed the presence of distorted NbO6 octahedra both in the 3BaO.1Nb2O5.2P2O5 glass and the corresponding Ba3Nb2(PO4)4O2 crystals, while the presence of more symmetric NbO6 octahedra was detected in the BaNb2P2O11 compound, which is in accordance with the crystalline structures. Raman and NMR spectra showed similar short-range structural features in glasses and polycrystalline samples, whereas Raman spectra could detect some differences in the medium-range order of the BaO.Nb2O5.P2O5 glass and the corresponding BaNb2P2O11 crystal.

  16. Study of the liquidus and solidus surfaces of the quaternary Fe-Ni-Cu-S system: V. Refinement and addition of the data on the ternary Fe-Ni-S and Fe-Ni-Cu phase diagrams

    NASA Astrophysics Data System (ADS)

    Starykh, R. V.; Sineva, S. I.

    2012-03-01

    A deep analysis and mutual fitting of the data on all ternary boundary systems have resulted in obtaining information about the phase transformations in high-sulfur Fe-Ni-S compositions and in augmentation of data on the projections of the solidus surfaces in the Fe-Ni-Cu and Fe-Ni-S systems. The studies are performed using differential thermal analysis, scanning electron microscopy, and electron-probe microanalysis. The investigation carried out is a continuation of the cycle of studies dealing with an experimental construction of the phase diagrams of the ternary systems bounding the quaternary Fe-Ni-Cu-S system.

  17. Synthesis of thin films in boron-carbon-nitrogen ternary system by microwave plasma enhanced chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Kukreja, Ratandeep Singh

    The Boron Carbon Nitorgen (B-C-N) ternary system includes materials with exceptional properties such as wide band gap, excellent thermal conductivity, high bulk modulus, extreme hardness and transparency in the optical and UV range that find application in most fields ranging from micro-electronics, bio-sensors, and cutting tools to materials for space age technology. Interesting materials that belong to the B-C-N ternary system include Carbon nano-tubes, Boron Carbide, Boron Carbon Nitride (B-CN), hexagonal Boron Nitride ( h-BN), cubic Boron Nitride (c-BN), Diamond and beta Carbon Nitride (beta-C3N4). Synthesis of these materials requires precisely controlled and energetically favorable conditions. Chemical vapor deposition is widely used technique for deposition of thin films of ceramics, metals and metal-organic compounds. Microwave plasma enhanced chemical vapor deposition (MPECVD) is especially interesting because of its ability to deposit materials that are meta-stable under the deposition conditions, for e.g. diamond. In the present study, attempt has been made to synthesize beta-carbon nitride (beta-C3N4) and cubic-Boron Nitride (c-BN) thin films by MPECVD. Also included is the investigation of dependence of residual stress and thermal conductivity of the diamond thin films, deposited by MPECVD, on substrate pre-treatment and deposition temperature. Si incorporated CNx thin films are synthesized and characterized while attempting to deposit beta-C3N4 thin films on Si substrates using Methane (CH4), Nitrogen (N2), and Hydrogen (H2). It is shown that the composition and morphology of Si incorporated CNx thin film can be tailored by controlling the sequence of introduction of the precursor gases in the plasma chamber. Greater than 100mum size hexagonal crystals of N-Si-C are deposited when Nitrogen precursor is introduced first while agglomerates of nano-meter range graphitic needles of C-Si-N are deposited when Carbon precursor is introduced first in the

  18. Retention Mechanisms of Citric Acid in Ternary Kaolinite-Fe(III)-Citrate Acid Systems Using Fe K-edge EXAFS and L3,2-edge XANES Spectroscopy

    PubMed Central

    Yang, Jianjun; Wang, Jian; Pan, Weinan; Regier, Tom; Hu, Yongfeng; Rumpel, Cornelia; Bolan, Nanthi; Sparks, Donald

    2016-01-01

    Organic carbon (OC) stability in tropical soils is strongly interlinked with multivalent cation interaction and mineral association. Low molecular weight organic acids (LMWOAs) represent the readily biodegradable OC. Therefore, investigating retention mechanisms of LMWOAs in mineral-cation-LMWOAs systems is critical to understanding soil C cycling. Given the general acidic conditions and dominance of kaolinite in tropical soils, we investigated the retention mechanisms of citric acid (CA) in kaolinite-Fe(III)-CA systems with various Fe/CA molar ratios at pH ~3.5 using Fe K-edge EXAFS and L3,2-edge XANES techniques. With Fe/CA molar ratios >2, the formed ferrihydrite mainly contributed to CA retention through adsorption and/or coprecipitation. With Fe/CA molar ratios from 2 to 0.5, ternary complexation of CA to kaolinite via a five-coordinated Fe(III) bridge retained higher CA than ferrihydrite-induced adsorption and/or coprecipitation. With Fe/CA molar ratios ≤0.5, kaolinite-Fe(III)-citrate complexation preferentially occurred, but less CA was retained than via outer-sphere kaolinite-CA complexation. This study highlighted the significant impact of varied Fe/CA molar ratios on CA retention mechanisms in kaolinite-Fe(III)-CA systems under acidic conditions, and clearly showed the important contribution of Fe-bridged ternary complexation on CA retention. These findings will enhance our understanding of the dynamics of CA and other LMWOAs in tropical soils. PMID:27212680

  19. Retention Mechanisms of Citric Acid in Ternary Kaolinite-Fe(III)-Citrate Acid Systems Using Fe K-edge EXAFS and L3,2-edge XANES Spectroscopy

    NASA Astrophysics Data System (ADS)

    Yang, Jianjun; Wang, Jian; Pan, Weinan; Regier, Tom; Hu, Yongfeng; Rumpel, Cornelia; Bolan, Nanthi; Sparks, Donald

    2016-05-01

    Organic carbon (OC) stability in tropical soils is strongly interlinked with multivalent cation interaction and mineral association. Low molecular weight organic acids (LMWOAs) represent the readily biodegradable OC. Therefore, investigating retention mechanisms of LMWOAs in mineral-cation-LMWOAs systems is critical to understanding soil C cycling. Given the general acidic conditions and dominance of kaolinite in tropical soils, we investigated the retention mechanisms of citric acid (CA) in kaolinite-Fe(III)-CA systems with various Fe/CA molar ratios at pH ~3.5 using Fe K-edge EXAFS and L3,2-edge XANES techniques. With Fe/CA molar ratios >2, the formed ferrihydrite mainly contributed to CA retention through adsorption and/or coprecipitation. With Fe/CA molar ratios from 2 to 0.5, ternary complexation of CA to kaolinite via a five-coordinated Fe(III) bridge retained higher CA than ferrihydrite-induced adsorption and/or coprecipitation. With Fe/CA molar ratios ≤0.5, kaolinite-Fe(III)-citrate complexation preferentially occurred, but less CA was retained than via outer-sphere kaolinite-CA complexation. This study highlighted the significant impact of varied Fe/CA molar ratios on CA retention mechanisms in kaolinite-Fe(III)-CA systems under acidic conditions, and clearly showed the important contribution of Fe-bridged ternary complexation on CA retention. These findings will enhance our understanding of the dynamics of CA and other LMWOAs in tropical soils.

  20. Basics of Ternary Algebras and their underlying Nambu Brackets

    NASA Astrophysics Data System (ADS)

    Zachos, Cosmas K.

    2013-12-01

    Ternary algebras amount to closing systems of antisymmetrized trinomials of operators. The Filippov conditions (FI, which are not identities) for ternary algebras are contrasted to Bremner's identities dictated by associativity of operator products, and thus analogous to Jacobi identities. Maps of the known FI-compliant ternary algebras to underlying classical Nambu brackets are constructed, which then explain this compliance: FI-compliant ternary algebras are essentially classical Nambu brackets in disguise. In some cases involving infinite algebras, we show the classical limit may be obtained by a contraction of the quantal ternary algebra, and then explicitly realized through classical Nambu brackets. We illustrate this classical-contraction method on our Virasoro-Witt ternary algebra paradigm. The content of the talk is in the two references.

  1. Carbon dioxide induced bubble formation in a CH4-CO2-H2O ternary system: a molecular dynamics simulation study.

    PubMed

    Sujith, K S; Ramachandran, C N

    2016-02-07

    The extraction of methane from its hydrates using carbon dioxide involves the decomposition of the hydrate resulting in a CH4-CO2-H2O ternary solution. Using classical molecular dynamics simulations, we investigate the evolution of dissolved gas molecules in the ternary system at different concentrations of CO2. Various compositions considered in the present study resemble the solution formed during the decomposition of methane hydrates at the initial stages of the extraction process. We find that the presence of CO2 aids the formation of CH4 bubbles by causing its early nucleation. Elucidation of the composition of the bubble revealed that in ternary solutions with high concentration of CO2, mixed gas bubbles composed of CO2 and CH4 are formed. To understand the role of CO2 in the nucleation of CH4 bubbles, the structure of the bubble formed was analyzed, which revealed that there is an accumulation of CO2 at the interface of the bubble and the surrounding water. The aggregation of CO2 at the bubble-water interface occurs predominantly when the concentration of CO2 is high. Radial distribution function for the CH4-CO2 pair indicates that there is an increasingly favorable direct contact between dissolved CH4 and CO2 molecules in the bubble-water interface. It is also observed that the presence of CO2 at the interface results in the decrease in surface tension. Thus, CO2 leads to greater stability of the bubble-water interface thereby bringing down the critical size of the bubble nuclei. The results suggest that a rise in concentration of CO2 helps in the removal of dissolved CH4 thereby preventing the accumulation of methane in the liquid phase. Thus, the presence of CO2 is predicted to assist the decomposition of methane hydrates in the initial stages of the replacement process.

  2. IUPAC-NIST Solubility Data Series. 90. Hydroxybenzoic Acid Derivatives in Binary, Ternary, and Multicomponent Systems. Part I. Hydroxybenzoic Acids, Hydroxybenzoates, and Hydroxybenzoic Acid Salts in Water and Aqueous Systems

    NASA Astrophysics Data System (ADS)

    Goto, Rensuke; Fukuda, Hiroshi; Königsberger, Erich; Königsberger, Lan-Chi

    2011-03-01

    The solubility data for well-defined binary, ternary, and multicomponent systems of solid-liquid type are reviewed. One component, which is 2-, 3-, and 4-hydroxybenzoic acids, 4-hydroxybenzoate alkyl esters (parabens), or hydroxybenzoic acid salts, is in the solid state at room temperature and another component is liquid water, meaning that all of the systems are aqueous solutions. The ternary or multicomponent systems include organic substances of various classes (hydrocarbons of several structural types, halogenated hydrocarbons, alcohols, acids, ethers, esters, amides, and surfactants) or inorganic substances. Systems reported in the primary literature from 1898 through 2000 are compiled. For seven systems, sufficient binary data for hydroxybenzoic acids or parabens in water are available to allow critical evaluation. Almost all data are expressed as mass and mole fractions as well as the originally reported units, while some data are expressed as molar concentration.

  3. Phase Equilibria in the Fe-Mo-Ti Ternary System at 1173 K (900 °C) and 1023 K (750 °C)

    NASA Astrophysics Data System (ADS)

    Knowles, A. J.; Jones, N. G.; Jones, C. N.; Stone, H. J.

    2017-09-01

    Alloys with fine-scale eutectic microstructures comprising Ti-based A2 and TiFe B2 phases have been shown to have excellent mechanical properties. In this study, the potential of alloys with further refined A2-B2 microstructures formed through solid-state precipitation has been explored by analyzing a series of six alloys within the Fe-Mo-Ti ternary system. Partial isothermal sections of this system at 1173 K (900 °C) and 1023 K (750 °C) were constructed, from which the ternary solubility limits of the A2 (Ti, Mo), B2 TiFe, D85 Fe7Mo6, and C14 Fe2Ti phases were determined. With these data, the change in solubility of Fe in the A2 phase with temperature, which provides the driving force for precipitation of B2 TiFe, was determined and used to predict the maximum potential volume fraction of B2 TiFe precipitates that may be formed in an A2 (Ti, Mo) matrix.

  4. Characterization of a pseudo ternary phase diagram of poloxamer 407 systems for potential application of 5-aminolevulinic acid in photodynamic therapy.

    PubMed

    van Hemelrijck, Carlos; Müller-Goymann, Christel C

    2011-11-28

    A poloxamer 407 (POX) gel containing dimethyl isosorbide (DMIS), isopropyl alcohol (IPA), propylene glycol dicaprylocaprate (MIG) and water has been suggested in a previous study for permeation enhancement of 5-aminolevulinic acid (ALA) across isolated human stratum corneum. The purpose of this study was to characterize other formulations coming from the same pseudo ternary phase diagram as the "Thermogel" in order to find out which of them show appropriate characteristics to be used as a vehicle for ALA since it could be shown that variation of the ingredients' content had an influence on the permeation rate. A pseudo ternary phase diagram was developed with water, a fixed combination of 1:1 of IPA and DMIS and a fixed ratio of 4:1 POX to MIG. The systems were categorized according to their consistencies and ringing gel characteristics with special emphasis on appropriate formulations for dermal application. Polarizing microscopy enabled a clear differentiation between isotropic and anisotropic systems. Wide angle X-ray diffraction analyzes confirmed that anisotropy was due to crystalline POX. Furthermore both methods showed that IPA/DMIS was an inferior solvent mixture for POX related to water.

  5. Thermal behaviour of cubic phases rich in 1-monooleoyl-rac-glycerol in the ternary system. 1-monooleoyl-rac-glycerol/n-octyl-beta-D-glucoside/water.

    PubMed

    Persson, Gerd; Edlund, Håkan; Lindblom, Göran

    2003-01-01

    Using synchrotron X-ray diffraction the thermal behaviour was studied of the cubic phases in the 1-monooleoyl-rac-glycerol (MO)/n-octyl-beta-d-glucopyranoside (OG)/2H2O system with 58 or 45 wt % MO concentration and varying OG/2H2O contents. These MO contents correspond to a Pn3m cubic single-phase or a Pn3m cubic phase in excess water on the binary MO/water axis of the ternary phase diagram. The cubic liquid crystalline phases are stable with small fractions of OG, while higher OG concentrations trigger a cubic-to-lamellar phase transition. Moreover, with increasing OG concentration the initial Pn3m structure is completely converted to an Ia3d structure prior to the Lalpha phase being formed. Upon heating this effect is reversed, resulting in an Ia3d-to-Pn3m phase transition. For some samples additional peaks were observed in the diffractograms upon heating, resulting from the metastability notoriously shown by bicontinuous cubic phases. This judgement is supported by the fact that upon cooling these peaks were absent. Remarkably, both the Ia3d and the Pn3m cubic structures could be in equilibrium with excess water in this ternary system. A comparison is made with previous results on n-dodecyl-beta-d-maltoside (DM), showing that cubic phases with OG have higher thermal and compositional stability than with DM.

  6. Fabrication of porous ethyl cellulose microspheres based on the acetone-glycerin-water ternary system: Controlling porosity via the solvent-removal mode.

    PubMed

    Murakami, Masahiro; Matsumoto, Akihiro; Watanabe, Chie; Kurumado, Yu; Takama, Masashi

    2015-08-01

    Porous ethyl cellulose (EC) microspheres were prepared from the acetone-glycerin-water ternary system using an oil/water (O/W)-type emulsion solvent extraction method. The O/ W type emulsion was prepared using acetone dissolved ethyl cellulose as an oil phase and aqueous glycerin as a water phase. The effects of the different solvent extraction modes on the porosity of the microspheres were investigated. The specific surface area of the porous EC microspheres was estimated by the gas adsorption method. When the solvent was extracted rapidly by mixing the emulsion with water instantaneously, porous EC microspheres with a maximum specific surface area of 40.7±2.1 m2/g were obtained. On the other hand, when water was added gradually to the emulsion, the specific surface area of the fabricated microspheres decreased rapidly with an increase in the infusion period, with the area being 25-45% of the maximum value. The results of an analysis of the ternary phase diagram of the system suggested that the penetration of water and glycerin from the continuous phase to the dispersed phase before solidification affected the porosity of the fabricated EC microspheres.

  7. Composition Optimization of Al-DOPING Lithium Manganese Oxide from Al2O3-Li2CO3-MnO2 Ternary System

    NASA Astrophysics Data System (ADS)

    He, Gang; Sun, Xinyan; Hong, Jianhe; He, Mingzhong

    2013-07-01

    In order to synthesize eutectic compound of Al doping lithium manganese oxide which can be used as cathode material in lithium battery, using γ-Al2O3, Li2CO3 and MnO2 as starting raw materials, the composition optimization research work has been done by the solid state synthesis method. A limited composition range was found in Al2O3-Li2CO3-MnO2 ternary system, in which the synthesized Al doping lithium manganese oxides have single spinel structure and good electrochemical performance. The results showed that the LiAl0.04Mn1.96O4 material presented better charge-discharge cycling behavior than pure LiMn2O4, and showed the best electrochemistry property among the compounds in the Al2O3-Li2O-Mn2O3 ternary system. LiAl0.04Mn1.96O4 still kept perfect cubic structure, but LiMn2O4 kept the coexistence of the cubic and tetragonal phases after 50 charge-discharge cycles.

  8. Phase Equilibria in the Fe-Mo-Ti Ternary System at 1173 K (900 °C) and 1023 K (750 °C)

    NASA Astrophysics Data System (ADS)

    Knowles, A. J.; Jones, N. G.; Jones, C. N.; Stone, H. J.

    2017-07-01

    Alloys with fine-scale eutectic microstructures comprising Ti-based A2 and TiFe B2 phases have been shown to have excellent mechanical properties. In this study, the potential of alloys with further refined A2-B2 microstructures formed through solid-state precipitation has been explored by analyzing a series of six alloys within the Fe-Mo-Ti ternary system. Partial isothermal sections of this system at 1173 K (900 °C) and 1023 K (750 °C) were constructed, from which the ternary solubility limits of the A2 (Ti, Mo), B2 TiFe, D85 Fe7Mo6, and C14 Fe2Ti phases were determined. With these data, the change in solubility of Fe in the A2 phase with temperature, which provides the driving force for precipitation of B2 TiFe, was determined and used to predict the maximum potential volume fraction of B2 TiFe precipitates that may be formed in an A2 (Ti, Mo) matrix.

  9. Fuzzy ternary particle systems by surface-initiated atom transfer radical polymerization from layer-by-layer colloidal core-shell macroinitiator particles.

    PubMed

    Fulghum, Timothy M; Patton, Derek L; Advincula, Rigoberto C

    2006-09-26

    We report the synthesis of ternary polymer particle material systems composed of (a) a spherical colloidal particle core, coated with (b) a polyelectrolyte intermediate shell, and followed by (c) a grafted polymer brush prepared by surface-initiated polymerization as the outer shell. The layer-by-layer (LbL) deposition process was utilized to create a functional intermediate shell of poly(diallyl-dimethylammonium chloride)/poly(acrylic acid) multilayers on the colloid template with the final layer containing an atom transfer radical polymerization (ATRP) macroinitiator polyelectrolyte. The intermediate core-shell architecture was analyzed with FT-IR, electrophoretic mobililty (zeta-potential) measurements, atomic force microscopy, and transmission electron microscopy (TEM) techniques. The particles were then utilized as macroinitiators for the surface-initiated ATRP grafting process for poly(methyl methacrylate) polymer brush. The polymer grafting was confirmed with thermo gravimetric analysis, FT-IR, and TEM. The polymer brush formed the outermost shell for a ternary colloidal particle system. By combining the LbL and surface-initiated ATRP methods to produce controllable multidomain core-shell architectures, interesting functional properties should be obtainable based on independent polyelectrolyte and polymer brush behavior.

  10. Review of the phase equilibria and thermodynamics of binary and ternary systems composed of IFR fuel component metals (U, Pu, and Zr) and nitrogen

    SciTech Connect

    Leibowitz, L.; Veleckis, E.; Blomquist, R. A.

    1987-09-01

    Studies of the interactions of IFR fuel alloys with stainless steel cladding materials have shown evidence for segregation of metallic alloy components at the fuel-cladding interface. The phenomenon seems to be related to the availability of nitrogen and other reactive elements. For the interpretation of surface segregation results it will be necessary to establish (1) the composition of the phases formed in the ternary alloys under the action of nitrogen, (2) diffusion characteristics of various components in these phases and those of nitrogen itself, and (3) activity gradients established in the component metals providing driving forces for material migration. In this technical memorandum we present a literature survey and evaluation of the binary and ternary systems formed among uranium, plutonium, zirconium, and nitrogen. Both the phase diagram data and available thermodynamics are included. The following systems were surveyed: U-N, Pu-N, Zr-N, U-Pu, U-Zr, Pu-Zr, U-Pu-Zr, U-Pu-N, U-Zr-N, and Pu-Zr-N.

  11. Designing and Validating Ternary Pd Alloys for Optimum Sulfur/Carbon Resistance in Hydrogen Separation and Carbon Capture Membrane Systems Using High-Throughput Combinatorial Methods

    SciTech Connect

    Lewis, Amanda; Zhao, Hongbin; Hopkins, Scott

    2014-12-01

    This report summarizes the work completed under the U.S. Department of Energy Project Award No.: DE-FE0001181 titled “Designing and Validating Ternary Pd Alloys for Optimum Sulfur/Carbon Resistance in Hydrogen Separation and Carbon Capture Membrane Systems Using High-Throughput Combinatorial Methods.” The project started in October 1, 2009 and was finished September 30, 2014. Pall Corporation worked with Cornell University to sputter and test palladium-based ternary alloys onto silicon wafers to examine many alloys at once. With the specialized equipment at Georgia Institute of Technology that analyzed the wafers for adsorbed carbon and sulfur species six compositions were identified to have resistance to carbon and sulfur species. These compositions were deposited on Pall AccuSep® supports by Colorado School of Mines and then tested in simulated synthetic coal gas at the Pall Corporation. Two of the six alloys were chosen for further investigations based on their performance. Alloy reproducibility and long-term testing of PdAuAg and PdZrAu provided insight to the ability to manufacture these compositions for testing. PdAuAg is the most promising alloy found in this work based on the fabrication reproducibility and resistance to carbon and sulfur. Although PdZrAu had great initial resistance to carbon and sulfur species, the alloy composition has a very narrow range that hindered testing reproducibility.

  12. Detection of DNA via the fluorescence quenching of Mn-doped ZnSe D-dots/doxorubicin/DNA ternary complexes system.

    PubMed

    Gao, Xue; Niu, Lu; Su, Xingguang

    2012-01-01

    This manuscript reports a method for the detection of double-stranded DNA, based on Mn:ZnSe d-dots and intercalating agent doxorubicin (DOX). DOX can quench the photoluminescence (PL) of Mn:ZnSe d-dots through photoinduced electron transfer process, after binding with Mn:ZnSe d-dots. The addition of DNA can result in the formation of the Mn:ZnSe d-dots-DOX-DNA ternary complexes, the fluorescence of the Mn:ZnSe d-dots-DOX complexes would be further quenched by the addition of DNA, thus allowing the detection of DNA. The formation mechanism of the Mn:ZnSe d-dots-DOX-DNA ternary complexes was studied in detail in this paper. Under optimal conditions, the quenched fluorescence intensity of Mn:ZnSe d-dots-DOX system are perfectly described by Stern-Volmer equation with the concentration of hsDNA ranging from 0.006 μg mL(-1) to 6.4 μg mL(-1). The detection limit (S/N = 3) for hsDNA is 0.5 ng mL(-1). The proposed method was successfully applied to the detection of DNA in synthetic samples and the results were satisfactory.

  13. Analytical applications of ternary complexes-VIII An improved reagent system for the spectrophotometric determination of aluminium.

    PubMed

    Chester, J E; Dagnall, R M; West, T S

    1970-01-01

    Aluminium ions form a ternary complex with Catechol Violet (CV) and cetyltrimethylammonium bromide (CTAB) in which an Al(3)+:CV:CTAB ratio of 1:2:5 is observed. The sensitivity of the binary complex between aluminium and Catechol Violet (615nm) = 1.50 x 10(3) l. mole (-1). mm(-1) is enhanced on ternary complex formation to (670nm) = 5.30 x 10(3) l. mole(-1). mm(-1). The colour is formed instantaneously, stabilizes within 20 min, and may be used for the detection of aluminium in the range O.27-54 pm in the presence of EDTA which prevents the interference of most ions. A benzoate extraction procedure for aluminium is used to prevent interference from hundredfold amounts of Cr(VI), Fe(II), Fe(III), Hg(II), Sb(III), Ti(IV) and acetate, but Be, Cr(III), rare earths, V(V), Zr and tartrate must be absent, as must high concentrations of phosphate and fluoride ions.

  14. Identification of phases of various oil, surfactant/ co-surfactants and water system by ternary phase diagram.

    PubMed

    Syed, Haroon K; Peh, Kok K

    2014-01-01

    The objective of this study was to select appropriate surfactants or blends of surfactants and oil to study the ternary phase diagram behavior and identify various phases obtained from the oil and surfactant/surfactant mixture combinations of different HLB. The phases include conventional emulsion, gel/viscous and transparent/translucent microemulsion. Pseudoternary phase diagrams of water, oil and S/Smix of various HLB values range of 9.65-15 were constructed by using water titration method at room temperature. Visual analysis, conductivity and dye dilution test (methylene blue) were performed after each addition and mixing of water, to identify phases as microemulsion, o/w or w/o emulsion (turbid/milky) and transparent gel/turbid viscous. High gel or viscous area was obtained with Tween 80 and surfactant mixture of Tween 80 and Span 80 with all oils. The results indicated that non-ionic surfactants and PG of different HLB values exhibited different pseudoternary phase diagram characteristics but no microemulsions originated from mineral and olive oils. The w/o emulsion occupied a large area in the ternary phase triangle when HLB value of the surfactant/Smix decreased. The o/w emulsion area was large with increasing HLB value of surfactant/Smix.

  15. Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations

    SciTech Connect

    Smetana, Volodymyr; Miller, Gordon J.; Corbett, John D.

    2012-06-27

    Six new intermetallic compounds have been characterized in the alkali metal (A = Na, Rb, Cs)–gold–gallium systems. Three isostructural compounds with the general composition A0.55Au2Ga2, two others of AAu3Ga2 (A = Rb, Cs), and the related Na13Au41.2Ga30.3 were synthesized via typical high-temperature reactions and their crystal structures determined by single-crystal X-ray diffraction analysis: Na0.56(9)Au2Ga2 (I, I4/mcm, a = 8.718(1) Å, c = 4.857(1) Å, Z = 4), Rb0.56(1)Au2Ga2 (II, I4/mcm, a = 8.950(1) Å, c = 4.829(1) Å, Z = 4), Cs0.54(2)Au2Ga2 (III, I4/mcm, a = 9.077(1) Å, c = 4.815(1) Å, Z = 4), RbAu3Ga2 (IV, Pnma, a = 13.384(3) Å, b = 5.577(1) Å, c = 7.017(1) Å, Z = 4), CsAu3Ga2 (V, Pnma, a = 13.511(3) Å, b = 5.614(2) Å, c = 7.146(1) Å, Z = 4), Na13Au41.2(1)Ga30.3(1) (VI, P6 mmm, a = 19.550(3) Å, c = 8.990(2) Å, Z = 2). The first three compounds (I–III) are isostructural with tetragonal K0.55Au2Ga2 and likewise contain planar eight-member Au/Ga rings that stack along c to generate tunnels and that contain varying degrees of disordered Na–Cs cations. The cation dispositions are much more clearly and reasonably defined by electron density mapping than through least-squares refinements with conventional anisotropic ellipsoids. Orthorhombic AAu3Ga2 (IV, V) are ordered ternary Rb and Cs derivatives of the SrZn5 type structure, demonstrating structural variability within the AAu3Ga2 family. All attempts to prepare an isotypic “NaAu3Ga2” were not successful, but yielded only a similar composition Na13Au41.2Ga30.3 (NaAu3.17Ga2.33) (VI) in a very different structure with two types of cation sites. Crystal orbital Hamilton population (COHP) analysis obtained from tight-binding electronic structure calculations for idealized I–IV via linear muffin-tin-orbital (LMTO) methods emphasized the major contributions of heteroatomic Au–Ga bonding to the structural stability of these compounds. The relative minima (pseudogaps) in the DOS curves for IV

  16. True ternary fission

    NASA Astrophysics Data System (ADS)

    Vijayaraghavan, K. R.; Balasubramaniam, M.; von Oertzen, W.

    2015-04-01

    The study of the ternary fission of nuclei has received new interest recently. It is of general interest for nuclear dynamics, although the process is very rare. In the present work, we discuss the possibilities of true ternary fission (fragment masses A >30 ) in 252Cf for different mass splits. These mass splits are strongly favored in a collinear geometry. Based on the three cluster model (TCM), it is shown that the true ternary fission into fragments with almost equal masses is one of the possible fission modes in 252Cf . For general decays it is shown that the formation of the lightest fragment at the center has the highest probability. Further the formation of tin isotopes and/or other closed shell fragments are favored. For the decay products the presence of closed shell nuclei among the three fragments enhances the decay probabilities.

  17. Ternary systems of nonionic surfactant Brij 35, water and various simple alcohols: Structural investigations by small-angle X-ray scattering and dynamic light scattering.

    PubMed

    Tomsic, Matija; Bester-Rogac, Marija; Jamnik, Andrej; Kunz, Werner; Touraud, Didier; Bergmann, Alexander; Glatter, Otto

    2006-02-01

    Structural properties of ternary systems composed of nonionic surfactant dodecyl-poly(ethylene oxide-23) ether (C12E23, commercial name: Brij 35), water and various alcohols from ethanol to 1-decanol have been investigated using small-angle X-ray scattering (SAXS) and dynamic light scattering (DLS) techniques. All measurements were performed at the temperature 25 degrees C. SAXS experimental data were put on absolute scale using water as a secondary standard. The data of water-rich mixtures at low to moderate surfactant concentrations were evaluated using the generalized indirect Fourier transformation method (GIFT), which is based on the simultaneous determination of the intra- and inter-particle scattering contributions. In this way, the size and the shape of interacting scattering particles in real space could be deduced. The systems with a relatively low surfactant concentration (5 mass%) were studied most extensively. In these cases, the water-rich regions of the phase diagrams could be investigated into more detail, since in the alcohol-rich regions problems with the GIFT evaluation of the SAXS data were encountered. The presented results demonstrate the level of structural details that can be obtained on the basis of scattering methods and point out the specific stages of data evaluation and interpretation where one must be extremely precautious. As such they reveal the inner structuration of the complex ternary systems of our present interest. In parallel, they also indicate that the longer chain alcohols actually behave as real oil phases in the studied systems, as one might expect, and also confirm the well-known properties of different short to medium chain alcohols that act as co-solvents and/or co-surfactants in microemulsion systems depending on their chain length.

  18. Equations for obtaining melting points for the ternary system ethylene glycol/sodium chloride/water and their application to cryopreservation.

    PubMed

    Woods, E J; Zieger, M A; Gao, D Y; Critser, J K

    1999-06-01

    The present study describes the H(2)O-NaCl-ethylene glycol ternary system by using a differential scanning calorimeter to measure melting points (T(m)) of four different ratios (R) of ethylene glycol to NaCl and then devising equations to fit the experimental measurements. Ultimately an equation is derived which characterizes the liquidus surface above the eutectic for any R value in the system. This study focuses on ethylene glycol in part because of recent evidence indicating it may be less toxic to pancreatic islets than Me(2)SO, which is currently used routinely for islet cryopreservation. The resulting physical data and previously determined information regarding the osmotic characteristics of canine pancreatic islets are combined in a mathematical model to describe the volumetric response to equilibrium-rate freezing in varying initial concentrations of ethylene glycol. Copyright 1999 Academic Press.

  19. Ternary liquid-liquid equilibrium for eugenol + tert-butanol + water system at 303.15 and 323.15K and atmospheric pressure

    NASA Astrophysics Data System (ADS)

    Sucipto, Retno Kumala Hesti; Kuswandi, Wibawa, Gede

    2017-05-01

    The objective of this study was to determine ternary liquid-liquid equilibrium for eugenol + tert-butanol + water system at 303.15 and 323.15K and atmospheric pressure. Using 25 mL equilibrium cell equipped jacketted water connected to water bath to maintain equilibrium temperature constant. The procedure of this experiment was conducted by inserting mixture of eugenol + tert-butanol + water system at certain composition into equilibrium cell. The solution was stirred for 4 hours and then was allowed for 20 hours in order to separate aqueous and organic phases completely. The temperature equilibrium cell of and the atmosphere pressure were recorded as equilibrium temperature and pressure for each measurenment. The equilibrium compositions of each phase were analyzed using Gas Chromatography. The experimental data obtained in this work were correlated with NRTL and UNIQUAC models with root mean square deviation between esperimental and calculated equilibrium compositions of 0.03% and 0.04% respectively.

  20. Self-association of short-chain nonionic amphiphiles in binary and ternary systems: comparison between the cleavable ethylene glycol monobutyrate and its ether counterparts.

    PubMed

    Zhu, Ying; Fournial, Anne-Gaëlle; Molinier, Valérie; Azaroual, Nathalie; Vermeersch, Gaston; Aubry, Jean-Marie

    2009-01-20

    In the context of environmental concerns for the production of surface active species, the introduction of a carbonyl function into the skeleton of ethyleneglycol-derived solvo-surfactants is a way to access cleavable compounds with presumed enhanced biodegradability. Ethylene glycol monobutyrate (C(3)COE(1)) was synthesized and compared to its ether counterparts, ethylene glycol monopropyl (C(3)E(1)) and monobutyl ethers (C(4)E(1)), to assess the effect of the insertion of a carbonyl function in the skeleton of short-chain ethoxylated amphiphilic compounds. In aqueous solutions, the ester has intermediate behavior between that of the two ethers with regard to surface tension, solubilization of Me-naphtalene in water, and self-diffusion by PGSE NMR. In ternary systems, C(3)COE(1) and C(3)E(1) have the same optimal oil (EACN = 2.8), which is much more polar than that of C(4)E(1) (EACN = 8.5). With regard to the ability to form structured systems, the behavior in water does not differ significantly for the three compounds, and the transition between nonassociating solvents and amphiphilic solvents, sometimes called solvo-surfactants, is gradual. In ternary systems, however, only C(4)E(1) and C(3)COE(1) form a third phase near the optimal formulation, which tends to show that C(3)COE(1) possesses the minimum amphiphilicity to get a structuration. Self-diffusion NMR studies of the one-phase domains do not, however, allow us to distinguish between different degrees of organization in the three systems.

  1. PHASE EQUILIBRIA INVESTIGATIONS OF BINARY, TERNARY, AND HIGHER ORDER SYSTEMS. PART 2. EFFECT OF RHENIUM AND ALUMINUM ADDITIONS ON THE METAL-RICH EQUILIBRIA IN THE TITANIUM-MOLYBDENIUM-CARBON AND TITANIUM-NIOBIUM-CARBON SYSTEMS

    DTIC Science & Technology

    The solid state phase equilibria of the metal-rich regions of the Titanium-Molybdenum-Carbon and Titanium-Niobium-Carbon systems with up to 12 At...Rhenium and 10 At.% Aluminum additions, respectively, have been determined on hot pressed, heat treated, and in part arc melted alloys. The phase ... equilibria in the metal-rich regions, with these additions, is practically unchanged over that of the ternary Titanium-Molybdenum-Carbon and Titanium

  2. A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide

    SciTech Connect

    Isherwood, Patrick J. M. Walls, John M.; Butler, Keith T.; Walsh, Aron

    2015-09-14

    The approach of combining two mismatched materials to form an amorphous alloy was used to synthesise ternary oxides of CuO and SnO{sub 2}. These materials were analysed across a range of compositions, and the electronic structure was modelled using density functional theory. In contrast to the gradual reduction in optical band gap, the films show a sharp reduction in both transparency and electrical resistivity with copper contents greater than 50%. Simulations indicate that this change is caused by a transition from a dominant Sn 5s to Cu 3d contribution to the upper valence band. A corresponding decrease in energetic disorder results in increased charge percolation pathways: a “compositional mobility edge.” Contributions from Cu(II) sub band-gap states are responsible for the reduction in optical transparency.

  3. Correlation between wetting, adhesion and adsorption in the polymer-aqueous solutions of ternary surfactant mixtures-air systems

    NASA Astrophysics Data System (ADS)

    Szymczyk, Katarzyna; Zdziennicka, Anna; Krawczyk, Joanna; Jańczuk, Bronisław

    2014-01-01

    The correlation between the wettability of polymers and adsorption of ternary mixtures including CTAB, TX-100 and TX-114 at the polymer-aqueous solution interface as well as the adhesion of aqueous solution of these mixtures to apolar polytetrafluoroethylene (PTFE), monopolar polymethyl methacrylate (PMMA) and nylon 6 was considered on the basis of the contact angle measurements and the literature data of the solutions surface tension. From these considerations it appeared that the efficiency and effectiveness of the adsorption at the PTFE-water interface are comparable to those at the water-air one, but for the PMMA-water and nylon 6-water interfaces they are lower than those for the water-air one for a given series of solutions. The efficiency and effectiveness are reflected in the composition of the mixed monolayer at the polymer-solution interface which even for the PTFE-solution interface is somewhat different from the water-air interface. The properties of the mixed monolayer at these interfaces influence the critical surface tension of polymer wetting which for PTFE is somewhat higher but for PMMA and nylon 6 considerably lower than their surface tension. From these considerations it also appeared that the work of adhesion of aqueous solutions of ternary mixtures of surfactants to the PTFE surface does not depend on the composition and concentration of solution contrary to PMMA and nylon 6. The adhesion work of these solutions to the PMMA and nylon 6 surface can be determined on the basis of van Oss et al. and Neumann et al. equations.

  4. Quaternary system SrO-CaO-BaO-CuO at 950 C. 1: Phase relationships in the limiting ternary system SrO-CaO-CuO

    SciTech Connect

    Lebbou, K.; Abraham, R.; Trosset, S.; Cohen-Adad, M.T.; Jorda, J.L.

    1997-08-01

    Knowledge of the succession of phases in dependence on composition and temperature is essential in order to control the formation of pure superconducting thallium-based cuprates (Tl/Pb){sub m}Sr{sub 2}Ca{sub n{minus}1}Cu{sub n}O{sub x}. Mixtures (Sr/Ba)O-CaO-CuO are used as precursors in their elaboration. In the first stage of their investigation, the ternary system SrO-CaO-CuO has been reinvestigated at 950 C, in order to determine precisely the phase relationships in the ternary subsystem. In the second stage, the study will be extended to the quaternary BaO-SrO-CaO-CuO system. The present paper reports the results concerning the polyphased fields in the ternary system under isothermal conditions at 950 C under 1 bar of oxygen. A comparison with literature data shows that new domains are observed. Solid phases mentioned in the literature are confirmed, but the observed three phases equilibria are not the same.

  5. Retention mechanisms of citric acid in ternary kaolinite-Fe(III)-citrate acid systems using Fe K-edge EXAFS and L3,2-edge XANES spectroscopy

    DOE PAGES

    Yang, Jianjun; Wang, Jian; Pan, Weinan; ...

    2016-05-23

    Organic carbon (OC) stability in tropical soils is strongly interlinked with multivalent cation interaction and mineral association. Low molecular weight organic acids (LMWOAs) represent the readily biodegradable OC. Therefore, investigating retention mechanisms of LMWOAs in mineral-cation-LMWOAs systems is critical to understanding soil C cycling. Given the general acidic conditions and dominance of kaolinite in tropical soils, we investigated the retention mechanisms of citric acid (CA) in kaolinite-Fe(III)-CA systems with various Fe/CA molar ratios at pH ~3.5 using Fe K-edge EXAFS and L-3,2-edge XANES techniques. With Fe/CA molar ratios >2, the formed ferrihydrite mainly contributed to CA retention through adsorption and/ormore » coprecipitation. With Fe/CA molar ratios from 2 to 0.5, ternary complexation of CA to kaolinite via a five-coordinated Fe(III) bridge retained higher CA than ferrihydrite-induced adsorption and/or coprecipitation. With Fe/CA molar ratios ≤ 0.5, kaolinite-Fe(III)-citrate complexation preferentially occurred, but less CA was retained than via outer-sphere kaolinite-CA complexation. This study highlighted the significant impact of varied Fe/CA molar ratios on CA retention mechanisms in kaolinite-Fe(III)-CA systems under acidic conditions, and clearly showed the important contribution of Fe-bridged ternary complexation on CA retention. In conclusion, these findings will enhance our understanding of the dynamics of CA and other LMWOAs in tropical soils.« less

  6. Phase equilibria in a ternary fullerenol-d(C60(OH)22-24)-SmCl3-H2O system at 25°C

    NASA Astrophysics Data System (ADS)

    Yur'ev, G. O.; Keskinov, V. A.; Semenov, K. N.; Charykov, N. A.

    2017-05-01

    The solubility in a ternary fullerenol-d (C60(OH)22-24)-SmCl3-H2O system at 25°C is studied via isothermal saturation in ampules. The solubility diagram is shown to be a simple eutonic one that consists of two branches corresponding to the crystallization of fullerenol-d (C60(OH)22-24 · 30H2O) and samarium(III) chloride SmCl3 · 6H2O crystallohydrates and contains one nonvariant eutonic point corresponding to saturation with both crystallohydrates. The long branch of C60(OH)22-24 · 30H2O crystallization shows the effect of fullerenol-d salting out of saturated solutions; in contrast, the short branch of SmCl3 · 6H2O crystallization shows the pronounced salting-in effect of samarium(III) chloride.

  7. Ternary liquid-liquid equilibria of dimethyl carbonate + 2-propanol + water system at 303.15 and 313.15 K

    NASA Astrophysics Data System (ADS)

    Ginting, Rizqy Romadhona; Mustain, Asalil; Tetrisyanda, Rizki; Gunardi, Ignatius; Wibawa, Gede

    2015-12-01

    In this work, liquid-liquid equilibria data of dimethyl carbonate (DMC) + 2-propanol + water system were accurately determined at 303.15 and 313.15 K using stirred and jacketed equilibrium cell under atmospheric pressure. The reliabilities of the experimental data were confirmed using Bachman-Brown correlation giving r-squared value of 0.9993 and 0.9983 at 303.15 and 313.15 K, respectively. Experimental data obtained in this work exhibit Treybal's Type I ternary phase behavior. The selectivity and distribution coefficient of DMC increases with addition of DMC concentration in the organic phase. On the other hand, the effect of temperature to phase boundary was found to be not significant. The data were correlated well using the Non-Random Two Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) activity coefficient models with root-mean-square deviation of 1.5% and 1.3%, respectively.

  8. Sn-Ag-Cu nanosolders: Melting behavior and phase diagram prediction in the Sn-rich corner of the ternary system.

    PubMed

    Roshanghias, Ali; Vrestal, Jan; Yakymovych, Andriy; Richter, Klaus W; Ipser, Herbert

    2015-06-01

    Melting temperatures of Sn-Ag-Cu (SAC) alloys in the Sn-rich corner are of interest for lead-free soldering. At the same time, nanoparticle solders with depressed melting temperatures close to the Sn-Pb eutectic temperature have received increasing attention. Recently, the phase stability of nanoparticles has been the subject of plenty of theoretical and empirical investigations. In the present study, SAC nanoparticles of various sizes have been synthesized via chemical reduction and the size dependent melting point depression of these particles has been specified experimentally. The liquidus projection in the Sn-rich corner of the ternary SAC system has also been calculated as a function of particle size, based on the CALPHAD-approach. The calculated melting temperatures were compared with those obtained experimentally and with values reported in the literature, which revealed good agreement. The model also predicts that with decreasing particle size, the eutectic composition shifts towards the Sn-rich corner.

  9. Sn–Ag–Cu nanosolders: Melting behavior and phase diagram prediction in the Sn-rich corner of the ternary system

    PubMed Central

    Roshanghias, Ali; Vrestal, Jan; Yakymovych, Andriy; Richter, Klaus W.; Ipser, Herbert

    2015-01-01

    Melting temperatures of Sn–Ag–Cu (SAC) alloys in the Sn-rich corner are of interest for lead-free soldering. At the same time, nanoparticle solders with depressed melting temperatures close to the Sn–Pb eutectic temperature have received increasing attention. Recently, the phase stability of nanoparticles has been the subject of plenty of theoretical and empirical investigations. In the present study, SAC nanoparticles of various sizes have been synthesized via chemical reduction and the size dependent melting point depression of these particles has been specified experimentally. The liquidus projection in the Sn-rich corner of the ternary SAC system has also been calculated as a function of particle size, based on the CALPHAD-approach. The calculated melting temperatures were compared with those obtained experimentally and with values reported in the literature, which revealed good agreement. The model also predicts that with decreasing particle size, the eutectic composition shifts towards the Sn-rich corner. PMID:26082567

  10. Solubility relations in the ternary system NaCl-CsCl-H2O at 1 atm. 1. Solubilities of halite from 20 to 100 °C

    USGS Publications Warehouse

    Chou, I.-Ming; Lee, R.D.

    1983-01-01

    Solubilities of halite in the ternary system NaCl-CsCl-H2O have been determined by the visual polythermal method at 1 atm from 20 to 100??C along five constant CsCl/(CsCl + H2O) weight ratio lines. These five constant weight ratios are 0.1, 0.2, 0.3, 0.4, and 0.5. The maximum uncertainties in these measurements are ??0.02 wt % NaCl and ??0.15??C. The data along each constant CsCl/(CsCl + H2O) weight ratio line were regressed to a smooth curve. The maximum deviation of the measured solubilities from the smooth curves is 0.06 wt % NaCl. Isothermal solubilities of halite were calculated from smoothed curves at 25, 50, and 75??C.

  11. Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases

    NASA Astrophysics Data System (ADS)

    Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A. P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.

    2016-11-01

    The phase relations within the U-Al-Ge ternary system were studied for two isothermal sections, at 673 K for the whole Gibbs triangle and at 1173 K for the concentration range 25-100 at% U. The identification of the phases, their composition ranges and stability were determined by x-ray powder diffraction, scanning electron microscopy coupled to energy dispersive spectroscopy and differential thermal analysis. The tie-lines and the solubility domains were determined for the U-Ge and U-Al binaries, the UAl3-UGe3 solid-solution and for the unique ternary intermediate phase U3Al2-xGe3+x. The experimental isopleth section of the pseudo-binary UAl3-UGe3 reveals an isomorphous solid solution based on the Cu3Au-type below the solidus. The U3Al2-xGe3+x solid solution extends for -0.1≤x≤1.35 and -0.2≤x≤1.5 at 673 K and 1173 K respectively. It crystallizes in the I-centered tetragonal symmetry. The reciprocal lattice of several compositions of the U3Al2-xGe3+x solid solution was examined by electron diffraction at room temperature, revealing the presence of a c-glide plane. Their crystal structure was refined by single crystal x-ray diffraction suggesting an isomorphous solid solution best described with the non-centrosymmetric space group I4cm in the paramagnetic domain. The magnetic measurements confirm the ferromagnetic ordering of the solid solution U3Al2-xGe3+x with an increase of Tc with the Al content. The thermal variation of the specific heat bear out the magnetic transitions with some delocalized character of the uranium 5f electrons.

  12. An attempt to stabilize tanshinone IIA solid dispersion by the use of ternary systems with nano-CaCO3 and poloxamer 188

    PubMed Central

    Yan, Hong-mei; Zhang, Zhen-hai; Jiang, Yan-rong; Ding, Dong-mei; Sun, E.; Jia, Xiao-bin

    2014-01-01

    Background: Tanshinone IIA (TSIIA) on solid dispersions (SDs) has thermodynamical instability of amorphous drug. Ternary solid dispersions (tSDs) can extend the stability of the amorphous form of drug. Poloxamer 188 was used as a SD carrier. Nano-CaCO3 played an important role in adsorption of biomolecules and is being developed for a host of biotechnological applications. Objective: The aim of the present study was to investigate the dissolution behavior and accelerated stability of TSIIA on solid dispersions (SDs) by the use of ternary systems with nano-CaCO3 and poloxamer 188. Materials and Methods: The TSIIA tSDs were prepared by a spray-drying method. First, the effect of combination of poloxamer 188 and nano-CaCO3 on TSIIA dissolution was studied. Subsequently, a set of complementary techniques (DSC, XRPD, SEM and FTIR) was used to monitor the physical changes of TSIIA in the SDs. Finally, stability test was carried out under the conditions 40°C/75% RH for 6 months. Results: The characterization of tSDs by differential scanning calorimetry analysis (DSC) and X-ray powder diffraction (XRPD) showed that TSIIA was present in its amorphous form. Fourier transforms infrared spectroscopy (FTIR) suggested the presence of interactions between TSIIA and carriers in tSDs. Improvement in the dissolution rate was observed for all SDs. The stability study conducted on SDs with nano-CaCO3 showed stable drug content and dissolution behavior, over the period of 6 months as compared with freshly prepared SDs. Conclusion: SDs preparation with nano-CaCO3 and poloxamer 188 may be a promising approach to enhance the dissolution and stability of TSIIA. PMID:24991109

  13. Impact of Ternary Solvent System in Stability-Indicating Assay Method of Bambuterol: Design of Experiments Approach.

    PubMed

    Abiramasundari, A; Joshi, Amita; Joshi, Rahul; Pandya, Dhaivat; Sharma, Jayesh; Sudarsanam, V; Vasu, Kamala K

    2016-02-01

    High-performance liquid chromatography method for anti-asthmatic β2-agonist drug bambuterol, its process-related impurities and its major degradation products was developed and validated using quality by design concept. A 3(3) full factorial design was employed to study the effect of three independent factors, namely, ratio of organic modifiers in mobile phase, pH of the buffer and flow rate of the mobile phase. The responses considered were retention time of the last peak and resolution of poorly separated peaks (drug and PR-4 and drug and DP-3). The optimum conditions for separation were determined with the aid of design of experiments. The optimized ternary solvent composition was a mixture of 10 mM ammonium acetate buffer (pH 6.0), methanol and acetonitrile in the ratio of 90:5: 5 (v/v/v) in solvent reservoir A and 10:45:45 (v/v/v) in solvent reservoir B. The separation of the analytes was achieved by using a gradient method. The predictability criteria of the optimized method demonstrated good correlation between observed and predicted response. The method was validated for specificity, linearity, accuracy, precision and robustness in compliance with the International Conference on Harmonization guidelines Q2R1.

  14. Ternary complexes of folate-PEG-appended dendrimer (G4)/α-cyclodextrin conjugate, siRNA and low-molecular-weight polysaccharide sacran as a novel tumor-selective siRNA delivery system.

    PubMed

    Ohyama, Ayumu; Higashi, Taishi; Motoyama, Keiichi; Arima, Hidetoshi

    2017-02-14

    We previously developed a tumor-selective siRNA carrier by preparing polyamidoamine dendrimer (generation 4, G4) conjugates with α-cyclodextrin and folate-polyethylene glycol (Fol-PαC (G4)). In the present study, we developed ternary complexes of Fol-PαC (G4)/siRNA with low-molecular-weight-sacrans to achieve more effective siRNA transfer activity. Among the different molecular-weight sacrans, i.e. sacran 100, 1000 and 10,000 (MW 44,889Da, 943,692Da and 1,488,281Da, respectively), sacran 100 significantly increased the cellular uptake and the RNAi effects of Fol-PαC (G4)/siRNA binary complex with negligible cytotoxicity in KB cells (folate receptor-α positive cells). In addition, the ζ-potential and particle size of Fol-PαC (G4)/siRNA complex were decreased by the ternary complexation with sacran 100. Importantly, the in vivo RNAi effect of the ternary complex after the intravenous administration to tumor-bearing BALB/c mice was significantly higher than that of the binary complex. In conclusion, Fol-PαC (G4)/siRNA/sacran 100 ternary complex has a potential as a novel tumor-selective siRNA delivery system.

  15. Complex Formation in the Ternary System Tl(III)-CN(-)-Cl(-) in Aqueous Solution. A (205)Tl NMR Study.

    PubMed

    Berg, Katja E.; Blixt, Johan; Glaser, Julius

    1996-11-20

    The existence of mixed complexes of the general formula Tl(CN)(m)()Cl(n)()(3)(-)(m)()(-)(n)() (m + n ternary complexes have been identified, and their compositions, chemical shifts, (205)Tl-(13)C spin-spin coupling constants, and peak integrals were determined and used to calculate the stability constants, beta = [Tl(CN)(m)()Cl(n)()(3)(-)(m)()(-)(n)()]/{[Tl(3+)][CN(-)](m)()[Cl(-)](n)()}. Very good agreement was obtained between the equilibrium constants determined in this work and those estimated by a theoretical formula using the stability constants for the binary complexes and a statistical factor. Specific interaction coefficients have been calculated for the Tl(CN)(m)()(3)(-)(m)() (1

  16. Solid-state reactions during mechanical alloying of ternary Fe-Al-X (X=Ni, Mn, Cu, Ti, Cr, B, Si) systems: A review

    NASA Astrophysics Data System (ADS)

    Hadef, Fatma

    2016-12-01

    The last decade has witnessed an intensive research in the field of nanocrystalline materials due to their enhanced properties. A lot of processing techniques were developed in order to synthesis these novel materials, among them mechanical alloying or high-energy ball milling. In fact, mechanical alloying is one of the most common operations in the processing of solids. It can be used to quickly and easily synthesize a variety of technologically useful materials which are very difficult to manufacture by other techniques. One advantage of MA over many other techniques is that is a solid state technique and consequently problems associated with melting and solidification are bypassed. Special attention is being paid to the synthesis of alloys through reactions mainly occurring in solid state in many metallic ternary Fe-Al-X systems, in order to improve mainly Fe-Al structural and mechanical properties. The results show that nanocrystallization is the common result occurring in all systems during MA process. The aim of this work is to illustrate the uniqueness of MA process to induce phase transformation in metallic Fe-Al-X (X=Ni, Mn, Cu, Ti, Cr, B, Si) systems.

  17. Embedding DNA in surfactant mesophases: the phase diagram of the ternary system dodecyltrimethylammonium-DNA/monoolein/water in comparison to the DNA-free analogue.

    PubMed

    Bilalov, Azat; Elsing, Jonas; Haas, Eva; Schmidt, Claudia; Olsson, Ulf

    2013-03-15

    The self-assembly of a true ternary mixture comprising an electroneutral complex of DNA anions and surfactant cations (dodecyltrimethylammonium cations, DTA), water, and nonionic surfactant (monoolein, MO) has been studied. The phase diagrams of two systems, DTA-DNA/MO/water and, for comparison, dodecyltrimethylammonium bromide (DTAB)/MO/water, were obtained by visual inspection, microscopic examination under polarized light, small-angle X-ray scattering (SAXS) and deuterium NMR ((2)H NMR) at 298 K and normal pressure. The isothermal phase diagram of the DTA-DNA/MO/water system contains four liquid crystalline (LC) phase regions (reversed hexagonal, Pn3m, Ia3d, lamellar). The supramolecular assemblies evolve from a bicontinuous cubic structure of the reversed type to the two-dimensional hexagonal phase as the content of DTA-DNA is increased. While DTA-DNA tends to form a reversed hexagonal phase, DTAB is incorporated into the existing lamellar phase formed by MO and water giving rise to swelling and to significant extension of the lamellar phase region. There is only a small tendency of the cubic phases existing in the binary system MO/water to accommodate DTAB or DTA-DNA.

  18. Molecular thermodynamic analysis for assessing the relationship between reentrant swelling behavior and ternary liquid-liquid equilibrium for poly(N-isopropylacrylamide) nanometer-sized gel particles in a water-tetrahydrofuran cosolvent system.

    PubMed

    Jung, Sang Chul; Bae, Young Chan

    2012-02-23

    The influence of phase separation on swelling behavior was investigated based on the thermodynamic framework of reswelling phenomena. The cloud-point for a ternary system of water(1)-tetrahydrofuran (THF)(2)-poly(N-isopropylacrylamide)(3) was examined by thermo-optical analysis (TOA). Nanometer-sized N-isopropylacrylamide (NIPA) gel particles were prepared by precipitation polymerization, and their swelling behaviors were determined using photon correlation spectroscopy (PCS). NIPA gel particles underwent reswelling when the ratio of water to THF was varied. First, the modified double lattice model (MDL) was employed to determine ternary interaction energy parameters for the liquid-liquid equilibrium (LLE) of linear poly-NIPA in a water-THF cosolvent system. The reentrant swelling equilibria of the NIPA gel in the water-THF system were then calculated using the interaction energy parameters. © 2012 American Chemical Society

  19. Designing thin film materials — Ternary borides from first principles

    PubMed Central

    Euchner, H.; Mayrhofer, P.H.

    2015-01-01

    Exploiting the mechanisms responsible for the exceptional properties of aluminum based nitride coatings, we apply ab initio calculations to develop a recipe for designing functional thin film materials based on ternary diborides. The combination of binary diborides, preferring different structure types, results in supersaturated metastable ternary systems with potential for phase transformation induced effects. For the exemplary cases of MxW1 − xB2 (with M = Al, Ti, V) we show by detailed ab initio calculations that the respective ternary solid solutions are likely to be experimentally accessible by modern depositions techniques. PMID:26082562

  20. Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend

    SciTech Connect

    Costa, Luciano T.

    2015-07-14

    This paper presents atomistic molecular dynamics simulation studies of lithium bis(trifluoromethane)sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm)-TFSI and poly(ethylene oxide) (PEO), which is a promising electrolyte material for Li- and Li-ion batteries. Simulations of 100 ns were performed for temperatures between 303 K and 423 K, for a Li:ether oxygen ratio of 1:16, and for PEO chains with 26 EO repeating units. Li{sup +} coordination and transportation were studied in the ternary electrolyte system, i.e., PEO{sub 16}LiTFSI⋅1.0 EMImTFSI, by applying three different force field models and are here compared to relevant simulation and experimental data. The force fields generated significantly different results, where a scaled charge model displayed the most reasonable comparisons with previous work and overall consistency. It is generally seen that the Li cations are primarily coordinated to polymer chains and less coupled to TFSI anion. The addition of EMImTFSI in the electrolyte system enhances Li diffusion, associated to the enhanced TFSI dynamics observed when increasing the overall TFSI anion concentration in the polymer matrix.

  1. Ternary system based on fluorophore-surfactant assemblies--Cu²⁺ for highly sensitive and selective detection of arginine in aqueous solution.

    PubMed

    Cao, Jianhua; Ding, Liping; Hu, Wenting; Chen, Xiangli; Chen, Xiao; Fang, Yu

    2014-12-23

    A new cationic dansyl derivative-based (DIlSD) fluorescence probe was designed and synthesized. Its combination with anionic surfactant SDS assemblies shows enhanced fluorescence intensity and blue-shifted maximum wavelength. Its fluorescence can be slightly quenched by Cu(2+); however, the fluorescence quenching efficiency by Cu(2+) is highly increased upon titration of arginine (Arg). As a result, the ternary system containing the cationic fluorophore, anionic surfactant, and Cu(2+) functions as a highly sensitive and selective sensor to Arg. The optimized sensor system displays a detection limit of 170 nM, representing the highest sensitivity to Arg in total aqueous solution by a fluorescent sensor. Control experiments reveal that the imidazolium groups in the fluorophore, the anionic surfactant, and Cu(2+) all play important roles in the process of sensing Arg. The electrostatic interaction between the cationic fluorophore and anionic surfactants facilitates the binding of imidazolium rings with Cu(2+), the surfactant surface-anchored Cu(2+) is responsible for further binding of Arg, and the electrostatic interaction between anionic surfactants and positively charged amino acids accounts for the selective responses to Arg.

  2. Competitive adsorption of Cd(II), Zn(II) and Ni(II) from their binary and ternary acidic systems using tourmaline.

    PubMed

    Liu, Haibin; Wang, Cuiping; Liu, Jingting; Wang, Baolin; Sun, Hongwen

    2013-10-15

    The adsorption of Cd(II), Zn(II) and Ni(II) from aqueous solutions in binary and ternary component systems by tourmaline was investigated. Kinetic data were accurately fitted to pseudo-second order and internal diffusion models, which indicated that the adsorption of heavy metals occurred on the interior surface of the sorbent and internal diffusion was the controlling mechanism during heavy metal ion adsorption but was not the only rate-controlling step. Additionally, tourmaline had a very good adsorption capacity for Cd(II), Zn(II) and Ni(II) in multi-component aqueous solutions at strongly acidic pH values (in contrast to industrial wastewater pH values). This good adsorption capacity is attributed to the fact that tourmaline can automatically adjust the pH values of acidic (except pH 2.0 and 3.0), neutral or alkaline aqueous solutions to 6.0. Adsorption isotherms and separation factors showed that tourmaline displays a high selectivity toward one metal in a two-component or a three-component system with an affinity order of Cd(II) > Zn(II) > Ni(II). Thermodynamic parameters indicated that heavy metal adsorption was feasible, spontaneous, and endothermic. Therefore, tourmaline should be explored as a material for removing pollutants from the strongly acidic wastewater. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

  3. Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend.

    PubMed

    Costa, Luciano T; Sun, Bing; Jeschull, Fabian; Brandell, Daniel

    2015-07-14

    This paper presents atomistic molecular dynamics simulation studies of lithium bis(trifluoromethane)sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm)-TFSI and poly(ethylene oxide) (PEO), which is a promising electrolyte material for Li- and Li-ion batteries. Simulations of 100 ns were performed for temperatures between 303 K and 423 K, for a Li:ether oxygen ratio of 1:16, and for PEO chains with 26 EO repeating units. Li(+) coordination and transportation were studied in the ternary electrolyte system, i.e., PEO16LiTFSI⋅1.0 EMImTFSI, by applying three different force field models and are here compared to relevant simulation and experimental data. The force fields generated significantly different results, where a scaled charge model displayed the most reasonable comparisons with previous work and overall consistency. It is generally seen that the Li cations are primarily coordinated to polymer chains and less coupled to TFSI anion. The addition of EMImTFSI in the electrolyte system enhances Li diffusion, associated to the enhanced TFSI dynamics observed when increasing the overall TFSI anion concentration in the polymer matrix.

  4. Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend

    NASA Astrophysics Data System (ADS)

    Costa, Luciano T.; Sun, Bing; Jeschull, Fabian; Brandell, Daniel

    2015-07-01

    This paper presents atomistic molecular dynamics simulation studies of lithium bis(trifluoromethane)sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm)-TFSI and poly(ethylene oxide) (PEO), which is a promising electrolyte material for Li- and Li-ion batteries. Simulations of 100 ns were performed for temperatures between 303 K and 423 K, for a Li:ether oxygen ratio of 1:16, and for PEO chains with 26 EO repeating units. Li+ coordination and transportation were studied in the ternary electrolyte system, i.e., PEO16LiTFSIṡ1.0 EMImTFSI, by applying three different force field models and are here compared to relevant simulation and experimental data. The force fields generated significantly different results, where a scaled charge model displayed the most reasonable comparisons with previous work and overall consistency. It is generally seen that the Li cations are primarily coordinated to polymer chains and less coupled to TFSI anion. The addition of EMImTFSI in the electrolyte system enhances Li diffusion, associated to the enhanced TFSI dynamics observed when increasing the overall TFSI anion concentration in the polymer matrix.

  5. Highly Robust Hybrid Photocatalyst for Carbon Dioxide Reduction: Tuning and Optimization of Catalytic Activities of Dye/TiO2/Re(I) Organic-Inorganic Ternary Systems.

    PubMed

    Won, Dong-Il; Lee, Jong-Su; Ji, Jung-Min; Jung, Won-Jo; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook

    2015-10-28

    Herein we report a detailed investigation of a highly robust hybrid system (sensitizer/TiO2/catalyst) for the visible-light reduction of CO2 to CO; the system comprises 5'-(4-[bis(4-methoxymethylphenyl)amino]phenyl-2,2'-dithiophen-5-yl)cyanoacrylic acid as the sensitizer and (4,4'-bis(methylphosphonic acid)-2,2'-bipyridine)Re(I)(CO)3Cl as the catalyst, both of which have been anchored on three different types of TiO2 particles (s-TiO2, h-TiO2, d-TiO2). It was found that remarkable enhancements in the CO2 conversion activity of the hybrid photocatalytic system can be achieved by addition of water or such other additives as Li(+), Na(+), and TEOA. The photocatalytic CO2 reduction efficiency was enhanced by approximately 300% upon addition of 3% (v/v) H2O, giving a turnover number of ≥570 for 30 h. A series of Mott-Schottky (MS) analyses on nanoparticle TiO2 films demonstrated that the flat-band potential (V(fb)) of TiO2 in dry DMF is substantially negative but positively shifts to considerable degrees in the presence of water or Li(+), indicating that the enhancement effects of the additives on the catalytic activity should mainly arise from optimal alignment of the TiO2 V(fb) with respect to the excited-state oxidation potential of the sensitizer and the reduction potential of the catalyst in our ternary system. The present results confirm that the TiO2 semiconductor in our heterogeneous hybrid system is an essential component that can effectively work as an electron reservoir and as an electron transporting mediator to play essential roles in the persistent photocatalysis activity of the hybrid system in the selective reduction of CO2 to CO.

  6. Ternary algebraic approach to extended superconformal algebras

    NASA Astrophysics Data System (ADS)

    Günaydin, Murat; Hyun, Seungjoon

    1992-04-01

    The construction of extended ( N = 2 and N = 4) superconformal algebras (SCA) over very general classes of ternary algebras (triple systems) is given. For N = 2 this construction leads to superconformal algebras corresponding to certain Kählerian coset spaces of Lie groups with non-vanishing torsion. In general, a given Lie group admits more than one coset space of this type. The construction and a complete classification of N = 2 SCAs over Kantor triple system is given. In particular, the division algebras and their tensor products lead to N = 2 superconformal algebras associated with the coset spaces of the groups of the Magic Square. For a very special class of ternary algebras, namely the Freudenthal triple (FT) systems, the N = 2 superconformal algebras can be extended to N = 4 superconformal algebras with the gauge group SU(2)×SU(2)×U(1). The realization and a complete classification of N = 2 and N = 4

  7. Investigation of binary and ternary systems of ionic liquids with water and/or supercritical CO2 by in situ attenuated total reflection infrared spectroscopy.

    PubMed

    Andanson, Jean-Michel; Jutz, Fabian; Baiker, Alfons

    2010-02-18

    Two commonly used ionic liquids (ILs), 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF(4)]) and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF(6)]), as well as binary and ternary mixtures of them with water and/or supercritical CO(2) (scCO(2)) were investigated by means of infrared spectroscopy at high pressure. The experiments were performed using attenuated total reflection (ATR) infrared spectroscopy on dry and wet ILs at 40 degrees C and pressures up to 150 bar of scCO(2). The studies indicate that the content of water does not change significantly the solubility of CO(2) in the ionic liquids tested. Furthermore, the presence of water does not change significantly the interaction between the IL anion and CO(2), which explains why the presence of water in IL does not modify the solubility of CO(2) in the system, even in the case of an initial molar ratio of approximately 50/50 of water in [bmim][BF(4)]. We show that despite the limited solubility of water in supercritical CO(2) an ionic liquid can be efficiently dried using scCO(2) extraction even in the case of a hydrophilic ionic liquid (e.g., [bmim][BF(4)]). During the scCO(2) extraction, the concentration of water was followed in situ using attenuated total reflection (ATR) infrared spectroscopy. After extraction, no residual water could be detected by this technique, which corresponds approximately to a water concentration of below 320 ppm.

  8. MAS NMR, DRIFT, and FT-Raman Characterization of SiO(2)-AlPO(4)-B(2)O(3) Ternary Catalytic Systems.

    PubMed

    Aramendía; Boráu; Jiménez; Marinas; Ruiz; Urbano

    1999-09-01

    This work deals with the preparation of SiO(2)-AlPO(4)-B(2)O(3) ternary systems from impregation of a SiO(2)-AlPO(4) solid previously synthesized with B(OH)(3) (0-10% B(OH)(3), by weight). Characterization of the resulting solids has been carried out from adsorption-desorption isotherms of nitrogen, DRIFT, FT-Raman, pyridine adsorption, and (1)H, (11)B, (27)Al, and (31)P MAS NMR. The textural properties are scarcely changed by the impregnation and calcination steps. Moreover, the MAS NMR experiments indicated that the components of the solids do not interact among them. The solids were tested in the dehydration-dehydrogenation of propan-2-ol, widely used to correlate catalytic activity with the surface acid-base properties of the solids. The catalytic results indicate that the effect of boron dopping is an increase in the overall acidity of the solids. Copyright 1999 Academic Press.

  9. Removal of added nitrate in the single, binary, and ternary systems of cotton burr compost, zerovalent iron, and sediment: Implications for groundwater nitrate remediation using permeable reactive barriers.

    PubMed

    Su, Chunming; Puls, Robert W

    2007-04-01

    Recent research has shown that carbonaceous solid materials and zerovalent iron (Fe(0)) may potentially be used as media in permeable reactive barriers (PRBs) to degrade groundwater nitrate via heterotrophic denitrification in the solid carbon system, and via abiotic reduction and autotrophic denitrification in the Fe(0) system. Questions arise as whether the more expensive Fe(0) is more effective than the less expensive carbonaceous solid materials for groundwater nitrate remediation, and whether there is any synergistic effect of mixing the two different types of materials. We carried out batch tests to study the nature and rates of removal of added nitrate in the suspensions of single, binary, and ternary systems of cotton burr compost, Peerless Fe(0), and a sediment low in organic carbon. Cotton burr compost acted as both organic carbon source and supporting material for the growth of indigenous denitrifiers. Batch tests showed that cotton burr compost alone removed added nitrate at a greater rate than did Peerless Fe(0) alone on an equal mass basis with a pseudo-first-order rate constant k=0.0830+/-0.0031 h(-1) for cotton burr compost and a k=0.00223+/-0.00022 h(-1) for Peerless Fe(0); cotton burr compost also removed added nitrate at a faster rate than did cotton burr compost mixed with Peerless Fe(0) and/or the sediment. Furthermore, there was no substantial accumulation of ammonium ions in the cotton burr compost system, in contrast to the systems containing Peerless Fe(0) in which ammonium ions persisted as major products of nitrate reduction. It is concluded that cotton burr compost alone may be used as an excellent denitrification medium in a PRB for groundwater nitrate removal. Further study is needed to evaluate performance of its field applications.

  10. The ternary Qz-Ab-Or system as a geobarometer for natural rhyolite: new experiments and implications for the Snake River Plain silicic magmas

    NASA Astrophysics Data System (ADS)

    Almeev, R.; Bolte, T.; Holtz, F.; Nash, B. P.

    2012-12-01

    It is well known that the synthetic haplogranitic Qz-Ab-Or system provides a basis for estimating the depth and volatile activity of rhyolitic magma chambers if natural melts are coexisting with quartz and two feldspars. However, small but significant amounts of Ca and Fe are always present in natural rhyolites, implying that the projection of natural compositions onto the Qz-Ab-Or ternary system can only be used qualitatively. Blundy and Cashman [1] proposed a correction procedure for water-rich melts to account for the Anorthite (An) content, but the accuracy of this method has not been verified experimentally. We conducted a series of crystallization experiments at various pressures (50, 200 and 500 MPa) and water activities (0.2 to 1) to determine the crystallization temperature of tectosilicates, and to constrain the position of cotectic lines and eutectic compositions in high silica rhyolites when projected onto the Qz-Ab-Or plane. The starting compositions were representatives of low-H2O rhyolites of the Snake River Plain-Yellowstone province which contained different normative contents of An and Hypersthene (Hy). The glass compositions from experimental runs that coexist with three tectosilicates are shifted towards the Qtz-Or sideline of the ternary diagram (to more Qz-rich compositions) when compared to the compositions of minima and eutectic points determined experimentally in the haplogranitic system at water-saturated conditions. Our new experimental results also indicate that the correction proposed by [1] is not fully successful to account for the small amounts of An (and Hy) when projecting natural compositions in the Qz-Ab-Or plane. In addition, for a given composition, the position of the cotectic line is mainly dependent on pressure and only slightly on water activity. Thus, glass compositions quenched from melts in equilibrium with quartz and at least one feldspar (glass inclusions or matrix glass) may be useful to constrain pre

  11. Changes in two-phase emulsion morphology in temperature-amphiphile concentration or fish diagram for ternary amphiphile/oil/water systems.

    PubMed

    Lee, Jong-Moon; Lim, Kyung-Hee

    2005-10-01

    We examined the morphologies of two-phase emulsions in the ternary 2-butoxyethanol/n-decane/water system at various temperatures and water-to-oil ratios (WORs). The two-phase emulsion morphologies depended on temperature, WOR, and amphiphile concentration, and the results are presented in a temperature-amphiphile concentration coordinate system or a "fish" diagram. The observations made in this work contradict the predictions by the phase-inversion-temperature (PIT) concept. At WOR<1, a vertical inversion line was observed at TT(uc) (upper critical endpoint temperature) and at low amphiphile concentrations, only B/T emulsions appeared, irrespective of temperature. At WOR>1, the situation was reversed; T/B emulsions at TT(uc), and T/B emulsions at low amphiphile concentrations, irrespective of temperature. At WOR=1, two horizontal inversion lines, one each at TT(uc), were observed. The morphologies of the two-phase emulsions were B/T or T/B emulsions at low amphiphile concentrations, and at higher amphiphile concentrations T/B at TT(uc). All these findings along with three-phase emulsion data result in complete emulsion morphology diagrams in the temperature-amphiphile concentration space or fish diagram.

  12. Study of fatigue and fracture behavior of NbCr{sub 2}-based alloys: Phase stability in Nb-Cr-Ni ternary system

    SciTech Connect

    Zhu, J.H.; Liaw, P.K.; Liu, C.T.

    1997-12-01

    Phase stability in a ternary Nb-Cr-Ni Laves phase system was studied in this paper. Their previous study in NbCr{sub 2}-based transition-metal Laves phases has shown that the average electron concentration factor, e/a, is the dominating factor in controlling the phase stability of NbCr{sub 2}-based Laves phases when the atomic size ratios are kept identical. Since Ni has ten out-shell electrons, the substitution of Ni for Cr in NbCr{sub 2} will increase the average electron concentration of the alloy, thus leading to the change of the crystal structures from C15 to C14. In this paper, a number of pseudo-binary Nb(Cr,Ni){sub 2} alloys were prepared, and the crystal structures of the alloys after a long heat-treatment at 1000 C as a function of the Ni content were determined by the X-ray diffraction technique. The boundaries of the C15/C14 transition were determined and compared to their previous predictions. It was found that the electron concentration and phase stability correlation is obeyed in the Nb-Cr-Ni system. However, the e/a ratio corresponding to the C15/C14 phase transition was found to move to a higher value than the predicted one. The changes in the lattice constant, Vickers hardness and fracture toughness were also determined as a function of the Ni content, which were discussed in light of the phase stability difference of the alloys.

  13. Phase equilibria in the Mo-Fe-P system at 800 °C and structure of ternary phosphide (Mo(1-x)Fe(x))3P (0.10 ≤ x ≤ 0.15).

    PubMed

    Oliynyk, Anton O; Lomnytska, Yaroslava F; Dzevenko, Mariya V; Stoyko, Stanislav S; Mar, Arthur

    2013-01-18

    Construction of the isothermal section in the metal-rich portion (<67 atom % P) of the Mo-Fe-P phase diagram at 800 °C has led to the identification of two new ternary phases: (Mo(1-x)Fe(x))(2)P (x = 0.30-0.82) and (Mo(1-x)Fe(x))(3)P (x = 0.10-0.15). The occurrence of a Co(2)Si-type ternary phase (Mo(1-x)Fe(x))(2)P, which straddles the equiatomic composition MoFeP, is common to other ternary transition-metal phosphide systems. However, the ternary phase (Mo(1-x)Fe(x))(3)P is unusual because it is distinct from the binary phase Mo(3)P, notwithstanding their similar compositions and structures. The relationship has been clarified through single-crystal X-ray diffraction studies on Mo(3)P (α-V(3)S-type, space group I42m, a = 9.7925(11) Å, c = 4.8246(6) Å) and (Mo(0.85)Fe(0.15))(3)P (Ni(3)P-type, space group I4, a = 9.6982(8) Å, c = 4.7590(4) Å) at -100 °C. Representation in terms of nets containing fused triangles provides a pathway to transform these closely related structures through twisting. Band structure calculations support the adoption of these structure types and the site preference of Fe atoms. Electrical resistivity measurements on (Mo(0.85)Fe(0.15))(3)P reveal metallic behavior but no superconducting transition.

  14. Ternary Fission of CF Isotopes

    NASA Astrophysics Data System (ADS)

    Vermote, S.; Wagemans, C.; Serot, O.; Soldner, T.; Geltenbort, P.; Almahamid, I.; Lukens, W.; Floyd, J.

    2008-04-01

    During the last years, different Cm and Cf isotopes have been studied by our research group in the frame of a systematic investigation of gas emission characteristics in ternary fission. In this paper we report on the energy distribution and the emission probability of 3H, 4He and 6He particles emitted in neutron induced ternary fission of 249Cf and 251Cf. Both measurements were performed at the high flux reactor of the Institute Laue-Langevin (Grenoble, France), using suited ΔE-E telescope detectors, consisting of well-calibrated silicon surface barrier detectors. In this way, the available database can be expanded with new results for Z=98 isotopes, for which the information on neutron induced ternary fission is almost nonexistent. These measurements are important for the systematic investigation of gas emission characteristics in ternary fission.

  15. Dynamic thermodiffusion theory for ternary liquid mixtures

    NASA Astrophysics Data System (ADS)

    Eslamian, Morteza; Ziad Saghir, M.

    2010-04-01

    Following the non-equilibrium thermodynamics approach, we develop expressions for the calculation of the thermal diffusion coefficients in a ternary system. On the basis of some physical justifications, we approximate the net heat of transport with the activation energy of viscous flow. In parallel, we revisit the Kempers model and propose new expressions for the estimation of the thermal diffusion factors in a ternary mixture. The proposed expressions are based on a dynamic modeling approach, as they incorporate the activation energy of viscous flow, which is a fluid flow property and contains the effects of some of the parameters that govern thermodiffusion. The proposed expressions, the Kempers and Ghorayeb-Firoozabadi-Shukla models are evaluated against the experimental data. Our expression which was developed on the basis of the Kempers approach has the best performance.

  16. Ternary boride product and process

    NASA Technical Reports Server (NTRS)

    Clougherty, Edward V. (Inventor)

    1976-01-01

    A hard, tough, strong ceramic body is formed by hot pressing a mixture of a powdered metal and a powdered metal diboride. The metal employed is zirconium, titanium or hafnium and the diboride is the diboride of a different member of the same group of zirconium, titanium or hafnium to form a ternary composition. During hot pressing at temperatures above about 2,000.degree.F., a substantial proportion of acicular ternary monoboride is formed.

  17. On the growth of ternary system HNO{sub 3}/H{sub 2}SO{sub 4}/H{sub 2} aerosol particles in the stratosphere

    SciTech Connect

    Hamill, P.; Tabazadeh, A.; Kinne, S.; Toon, O.B.

    1996-04-01

    The authors present model study results on the formation of ternary aerosols of nitric acid, sulfuric acid, and water in the stratosphere. The aerosol particles grow by means of a heteromolecular condensation process. The authors assume the particles are in equilibrium with the background water vapor.

  18. Ternary Silver Halide Nanocrystals.

    PubMed

    Abeyweera, Sasitha C; Rasamani, Kowsalya D; Sun, Yugang

    2017-07-18

    Nanocrystalline silver halides (AgX) such as AgCl, AgBr, and AgI, a class of semiconductor materials with characteristics of both direct and indirect band gaps, represent the most crucial components in traditional photographic processing. The nanocrystal surfaces provide sensitivity specks that can turn into metallic silver, forming an invisible latent image, upon exposure to light. The photographic processing implies that the AgX nanoparticles possess unique properties. First, pristine AgX nanoparticles absorb light only at low efficiency to convert surface AgX into tiny clusters of silver atoms. Second, AgX nanoparticles represent an excellent class of materials to capture electrons efficiently. Third, small metallic silver clusters can catalyze the reduction of AgX nanoparticles to Ag nanoparticles in the presence of mild reducing reagents, known as self-catalytic reduction. These properties indicate that AgX nanoparticles can be partially converted to metallic silver with high precision, leading to the formation of hybrid AgX/Ag nanoparticles. The nanosized metallic Ag usually exhibit intense absorption bands in the visible spectral region due to their strong surface plasmon resonances, which make the AgX/Ag nanoparticles a class of promising visible-light-driven photocatalysts for environmental remediation and CO2 reduction. Despite the less attention paid to their ability of capturing electrons, AgX nanoparticles might be a class of ideal electron shuttle materials to bridge light absorbers and catalysts on which electrons can drive chemical transformations. In this Account, we focus on ternary silver halide alloy (TSHA) nanoparticles, containing two types of halide ions, which increase the composition complexity of the silver halide nanoparticles. Interdiffusion of halide ions between two types of AgX at elevated temperatures has been developed for fabricating ternary silver halide alloy crystals, such as silver chlorobromide optical fibers for infrared

  19. Structural evaluation of crystalline ternary γ-cyclodextrin complex.

    PubMed

    Higashi, Kenjirou; Ideura, Saori; Waraya, Haruka; Moribe, Kunikazu; Yamamoto, Keiji

    2011-01-01

    The structure of a crystalline γ-cyclodextrin (γ-CD) ternary complex containing salicylic acid (SA) and flurbiprofen (FBP) prepared by sealed heating was investigated. FBP/γ-CD inclusion complex was prepared by coprecipitation; its molar ratio was determined as 1/1. Powder X-ray diffraction measurements showed that the molecular packing of γ-CD changed from hexagonal to monoclinic columnar form by sealed heating of SA with dried FBP/γ-CD inclusion complex, indicating ternary complex formation. The stoichiometry of SA/FBP/γ-CD was estimated as 2/1/1. Solid-state transformation of γ-CD molecular packing upon water vapor adsorption and desorption was irreversible for this ternary complex, in contrast to the reversible transition for the FBP/γ-CD inclusion complex. The ternary complex contained one FBP molecule in the cavity of γ-CD and two SA molecules in the intermolecular space between neighboring γ-CD column stacks. Infrared and (13) C solid-state NMR spectroscopies revealed that the molecular states of SA and FBP changed upon ternary complex formation. In the complex, dimer FBP molecules were sandwiched between two γ-CD molecules whereas each monomer SA molecule was present in the intermolecular space of γ-CD. Ternary complex formation was also observed for other drug-guest systems using naproxen and ketoprofen. Thus, the complex can be used to formulate variety of drugs.

  20. A novel ternary ligand system useful for preparation of cationic (99m)Tc-diazenido complexes and (99m)Tc-labeling of small biomolecules.

    PubMed

    Kim, Young-Seung; He, Zhengjie; Hsieh, Wen-Yuan; Liu, Shuang

    2006-01-01

    This report describes a novel ternary ligand system composed of a phenylhydrazine, a crown ether-containing dithiocarbamate (DTC), and a PNP-type bisphosphine (PNP). The combination of three different ligands with (99m)Tc results in cationic (99m)Tc-diazenido complexes, [(99m)Tc(NNAr)(DTC)(PNP)]+, with potential radiopharmaceuticals for heart imaging. Synthesis of cationic (99m)Tc-diazenido complexes can be accomplished in two steps. For example, the reaction of phenylhydrazine with (99m)TcO4- at 100 degrees C in the presence of excess stannous chloride and 1,2-diaminopropane-N,N,N',N'-tetraacetic acid (PDTA) results in the [(99m)Tc(NNPh)(PDTA)n] intermediate, which then reacts with sodium N-(dithiocarbamato)-2-aminomethyl-15-Crown-5 (L4) and N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]ethoxyethylamine (PNP6) at 100 degrees C for 15 min to give the complex, [(99m)Tc(NNPh)(L4)(PNP6)]+ in high yield (>90%). Cationic complexes [(99m)Tc(NNPh)(DTC)(PNP)]+ are stable for > or = 6 h. Their composition was determined to be 1:1:1:1 for Tc:NNPh:DTC:PNP using the mixed-ligand experiments on the tracer ((99m)Tc) level and was further confirmed by the ESI-MS spectral data of a model compound [Re(NNPh)(L4)(L6)]+. It was found that both DTCs and bisphosphines have a significant impact on the lipophilicity of their cationic (99m)Tc-diazenido complexes. Results from a (99m)Tc-labeling efficiency experiment showed that 4-hydrazinobenzoic acid (HYBA) might be useful as a bifunctional coupling agent for (99m)Tc-labeling of small biomolecules. However, the (99m)Tc-labeling efficiency of HYBA is much lower than that of 6-hydrazinonicotinic acid (HYNIC) with tricine and trisodium triphenylphosphine-3,3',3''-trisulfonate (TPPTS) as coligands.

  1. Li2B12Si2: the first ternary compound in the system Li/B/Si: synthesis, crystal structure, hardness, spectroscopic investigations, and electronic structure.

    PubMed

    Vojteer, Natascha; Schroeder, Melanie; Röhr, Caroline; Hillebrecht, Harald

    2008-01-01

    We present the synthesis, crystal structure, hardness, IR/Raman and UV/Vis spectra, and FP-LAPW calculations of the electronic structure of Li(2)B(12)Si(2), the first ternary compound in the system Li/B/Si. Yellow, transparent single crystals were synthesized from the elements in tin as solvent at 1500 degrees C in h-BN crucibles in arc-welded Ta ampoules. Li(2)B(12)Si(2) crystallizes orthorhombic in the space group Cmce (no. 64) with a=6.1060(6), b=10.9794(14), c=8.4050(8) A, and Z=4. The crystal structure is characterized by a covalent network of B(12) icosahedra connected by Si atoms and Li atoms located in interstitial spaces. The structure is closely related to that of MgB(12)Si(2) and fulfils the electron-counting rules of Wade and Longuet-Higgins. Measurements of Vickers (H(V)=20.3 GPa) and Knoop microhardness (H(K)=20.4 GPa) revealed that Li(2)B(12)Si(2) is a hard material. The band gap was determined experimentally and calculated by theoretical means. UV/Vis spectra revealed a band gap of 2.27 eV, with which the calculated value of 2.1 eV agrees well. The IR and Raman spectra show the expected oscillations of icosahedral networks. Theoretical investigations of bonding in this structure were carried out with the FP-LAPW method. The results confirm the applicability of simple electron-counting rules and enable some structural specialties to be explained in more detail.

  2. NaF-KF-AlF3 System: Phase Transition in K2NaAl3F12 Ternary Fluoride.

    PubMed

    Kirik, Sergei D; Zaitseva, Yulia N; Leshok, Darya Yu; Samoilo, Alexandr S; Dubinin, Petr S; Yakimov, Igor S; Simakov, Dmitry A; Gusev, Alexandr O

    2015-06-15

    Phase formation in the NaF-KF-AlF3 system, in the vicinity of the K2NaAl3F12 composition, has been studied. The samples have been prepared by melting the starting components at 650 °C. A new phase has been revealed, which appeared to be a low-temperature form of the well-known K2NaAl3F12 ternary fluoride obtained by the hydrothermal synthesis method. The high-temperature form melts at 598 °C and is stable in a narrow temperature region of about 15 deg below the melting point. Thermal analysis, high temperature X-ray diffraction, IR-spectroscopy, X-ray fluorescence, and X-ray powder diffraction crystal structure analysis have been applied to study the composition, crystal structure, and thermal properties of the low-temperature phase. The crystal structure consists of trigonal-hexagonal two-dimensional (2D) grids built from the [AlF6] octahedra connected via vertices. The 2D grids have a specific wave-like conformation with a wavelength of 11.88 Å and an amplitude of 0.46 Å. There is a shift of the adjacent grids relative to each other. Because of this shift, the space between the grids changes. The shift leads to the formation of pores adapted to potassium and sodium ions. The reasons for the wave-like structure of layers are discussed. It is shown that the two polymorphic forms differ in the order of cation occupations.

  3. More statistics on intermetallic compounds - ternary phases.

    PubMed

    Dshemuchadse, Julia; Steurer, Walter

    2015-05-01

    How many different intermetallic compounds are known so far, and in how many different structure types do they crystallize? What are their chemical compositions, the most abundant ones and the rarest ones? These are some of the questions we are trying to find answers for in our statistical analysis of the structures of the 20,829 intermetallic phases included in the database Pearson's Crystal Data, with the goal of gaining insight into some of their ordering principles. In the present paper, we focus on the subset of 13,026 ternary intermetallics, which crystallize in 1391 different structure types; remarkably, 667 of them have just one representative. What makes these 667 structures so unique that they are not adopted by any other of the known intermetallic compounds? Notably, ternary compounds are known in only 5109 of the 85,320 theoretically possible ternary intermetallic systems so far. In order to get an overview of their chemical compositions we use structure maps with Mendeleev numbers as ordering parameters.

  4. Ternary phase behaviour and vesicle formation of a sodium N-lauroylsarcosinate hydrate/1-decanol/water system

    NASA Astrophysics Data System (ADS)

    Akter, Nasima; Radiman, Shahidan; Mohamed, Faizal; Rahman, Irman Abdul; Reza, Mohammad Imam Hasan

    2011-08-01

    The phase behaviour of a system composed of amino acid-based surfactant (sodium N-lauroylsarcosinate hydrate), 1-decanol and deionised water was investigated for vesicle formation. Changing the molar ratio of the amphiphiles, two important aggregate structures were observed in the aqueous corner of the phase diagram. Two different sizes of microemulsions were found at two amphiphile-water boundaries. A stable single vesicle lobe was found for 1∶2 molar ratios in 92 wt% water with vesicles approximately 100 nm in size and with high zeta potential value. Structural variation arises due to the reduction of electrostatic repulsions among the ionic headgroups of the surfactants and the hydration forces due to adsorbed water onto monolayer's. The balance of these two forces determines the aggregate structures. Analysis was followed by the molecular geometrical structure. These findings may have implications for the development of drug delivery systems for cancer treatments, as well as cosmetic and food formulations.

  5. Ternary phase behaviour and vesicle formation of a sodium N-lauroylsarcosinate hydrate/1-decanol/water system.

    PubMed

    Akter, Nasima; Radiman, Shahidan; Mohamed, Faizal; Rahman, Irman Abdul; Reza, Mohammad Imam Hasan

    2011-01-01

    The phase behaviour of a system composed of amino acid-based surfactant (sodium N-lauroylsarcosinate hydrate), 1-decanol and deionised water was investigated for vesicle formation. Changing the molar ratio of the amphiphiles, two important aggregate structures were observed in the aqueous corner of the phase diagram. Two different sizes of microemulsions were found at two amphiphile-water boundaries. A stable single vesicle lobe was found for 1∶2 molar ratios in 92 wt% water with vesicles approximately 100 nm in size and with high zeta potential value. Structural variation arises due to the reduction of electrostatic repulsions among the ionic headgroups of the surfactants and the hydration forces due to adsorbed water onto monolayer's. The balance of these two forces determines the aggregate structures. Analysis was followed by the molecular geometrical structure. These findings may have implications for the development of drug delivery systems for cancer treatments, as well as cosmetic and food formulations.

  6. EXPERIMENTAL PHASE EQUILIBRIA OF SELECTED BINARY, TERNARY, AND HIGHER ORDER SYSTEMS. PART 4. THE PHASE DIAGRAM W-B-C

    DTIC Science & Technology

    system and the mutual solubilities between carbide and boride phases are small. The solid state sections (򒾐C) are characterized by two- phase ... equilibria existing between the phase pairs W2B + W2C, W2B + WC, WC + WB, WB + C, W2B5 + C, W2B5 + B4C, and WB approximately 4 + B4C. The two-phase

  7. The SmS-Ga/sub 2/S/sub 3/ section of the ternary Sm-Ga-S system

    SciTech Connect

    Alieva O.A.; Aliev, O.M.

    1986-09-01

    The SmS-Ga/sub 2/S/sub 3/ section of the Sm-Ga-S system is investigated by differential-thermal, XPA, and microstructural analyses and changes in the microhardness. The XPA was performed with a DRON-2 diffractometer using CuK /SUB a/ radiation. Microstructural analysis showed that alloys containing 0-2, 33.3, and 50 mole % SmS were single-phase and the rest were two-phase.

  8. Computational study of atomic mobility for the bcc phase of the U-Pu-Zr ternary system

    NASA Astrophysics Data System (ADS)

    Li, Weibang; Hu, Rui; Cui, Y.-W.; Zhong, Hong; Chang, Hui; Li, Jinshan; Zhou, Lian

    2010-12-01

    Experimental diffusion data in literature has been evaluated to assess the atomic mobility for the bcc phase in the U-Pu-Zr system by means of the DICTRA-type (Diffusion Controlled TRAnsformation) phenomenological treatment. The developed mobility database has been validated by comprehensive comparisons made between the experimental and calculated diffusion coefficients, as well as other interesting details resulting from interdiffusion, e.g. the concentration profile and the diffusion path of diffusion couples.

  9. Liquid-liquid equilibria for ternary polymer mixtures

    NASA Astrophysics Data System (ADS)

    Oh, Suk Yung; Bae, Young Chan

    2011-01-01

    A molecular thermodynamic model for multicomponent systems based on a closed-packed lattice model is presented based on two contributions; entropy and energy contribution. The calculated liquid-liquid equilibria of ternary chainlike mixtures agreed with Monte Carlo simulation results. The proposed model can satisfactorily predict Types 0, 1, 2 and 3 phase separations of the Treybal classification. The model parameters obtained from the binary systems were used to directly predict real ternary systems and the calculated results correlated well with experimental data using few adjustable parameters. Specific interactions in associated binary systems were considered using a secondary lattice.

  10. Electrosynthesis of thin films of CdZnSe - Composition modulation and bandgap engineering in the ternary system

    NASA Astrophysics Data System (ADS)

    Krishnan, V.; Ham, D.; Mishra, K. K.; Rajeshwar, K.

    1992-01-01

    This paper concerns electrodeposition chemistry in the Cd-Zn-Se system. First, the thermodynamics for the cathodic electrosynthesis of CdSe and ZnSe were analyzed with the aid of Pourbaix diagrams. Strategies for modulating the Cd content and thus the photoresponse of CdZnSe alloy thin films were developed. These thin films were analyzed by cyclic photovoltammetry and photocurrent spectroscopy. X-ray photoelectron spectroscopy provided further confirmation of the alloy composition. Finally, a ramp-hold method was developed for modulating the composition of these CdSe-ZnSe thin films to generate CdSe-ZnSe-CdSe superstructures. These experiments demonstrate the feasibility of securing modulation lengths spanning the submicron regime.

  11. Dissipative particle dynamics simulation on a ternary system with nanoparticles, double-hydrophilic block copolymers, and solvent.

    PubMed

    Huang, Jianhua; Luo, Mengbo; Wang, Yongmei

    2008-06-05

    Dissipative particle dynamics (DPD) simulations are performed to study the aggregation of hydrophobic nanoparticles in the presence of double-hydrophilic block copolymer (DHBC). A single compact spherical nanoparticle aggregate is formed in the absence of DHBC. The response of the aggregate to a continuous increase in the concentration of DHBC has been investigated in detail. We observe the evolvement from single spherical aggregate, through single ellipsoidal aggregate, single platelike aggregate, single long and curly rod, dispersed aggregates, then to hexagonally packed cylinders, and ultimately to ordered lamellar structures upon slow addition of DHBC chains. However, when nanoparticles and DHBCs are added into the system simultaneously at the beginning of simulation, we only obtain single spherical aggregate, dispersed aggregates, hexagonally packed cylinders, and ordered lamellar structures at different concentrations of DHBC. Phase diagrams of structures against concentration of DHBC are presented for these two methods, and the stabilities of structures obtained with the two methods are compared.

  12. Thermal behavior of H-aggregate in a mixed Langmuir-Blodgett film of merocyanine dye, arachidic acid, and n-octadecane ternary system investigated by UV-visible and IR absorption spectroscopy.

    PubMed

    Hirano, Yoshiaki; Tateno, Shinsuke; Yamashita, Yoshihide; Ozaki, Yukihiro

    2008-11-13

    We have investigated the thermal behavior of H-aggregate in a mixed Langmuir-Blodgett (LB) film of the merocyanine dye (MS18)-arachidic acid (C20)- n-octadecane (AL18) ternary system by means of UV-visible and IR absorption spectroscopy in the range from 25 to 250 degrees C with a continuous scan. The results of both UV-visible and IR spectra indicate that the temperature-dependent variation in MS 18 aggregation state is linked not only with the degree of intramolecular charge transfer and the behavior of packing, orientation, conformation, and thermal mobility of the MS18 hydrocarbon chain but also with the presence and absence of AL18. The H-aggregate dissociates from 25 up to 50 degrees C, which is caused by the AL18 evaporation from the mixed LB film and the increment of thermal mobility of the MS18 hydrocarbon chain. From 110 to 160 degrees C, blue-shifted bands, attributed to the oligomeric MS18 aggregation, appear near 515 nm in the MS18-C 20-AL18 ternary system as well. The temperature at which the 515 nm band occurs is identical for both present ternary system and previously investigated MS18-deuterated arachidic acid (C20- d) binary system, and it is in good agreement with the melting point (110 degrees C) of cadmium arachidate (CdC20). Therefore, it is indicated that the driving force which induces the 515 nm band comes from the melting phenomenon of CdC20 molecules which are phase-separated from MS 18 molecules in as-deposited LB films.

  13. Modeling mass transfer and reaction of dilute solutes in a ternary phase system by the lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Fu, Yu-Hang; Bai, Lin; Luo, Kai-Hong; Jin, Yong; Cheng, Yi

    2017-04-01

    In this work, we propose a general approach for modeling mass transfer and reaction of dilute solute(s) in incompressible three-phase flows by introducing a collision operator in lattice Boltzmann (LB) method. An LB equation was used to simulate the solute dynamics among three different fluids, in which the newly expanded collision operator was used to depict the interface behavior of dilute solute(s). The multiscale analysis showed that the presented model can recover the macroscopic transport equations derived from the Maxwell-Stefan equation for dilute solutes in three-phase systems. Compared with the analytical equation of state of solute and dynamic behavior, these results are proven to constitute a generalized framework to simulate solute distributions in three-phase flows, including compound soluble in one phase, compound adsorbed on single-interface, compound in two phases, and solute soluble in three phases. Moreover, numerical simulations of benchmark cases, such as phase decomposition, multilayered planar interfaces, and liquid lens, were performed to test the stability and efficiency of the model. Finally, the multiphase mass transfer and reaction in Janus droplet transport in a straight microchannel were well reproduced.

  14. Cubic and sponge phases in ether lipid-solvent-water ternary systems: phase behavior and NMR characterization.

    PubMed

    Evenbratt, Hanne; Nordstierna, Lars; Ericson, Marica B; Engström, Sven

    2013-10-22

    The phase behavior of 1-glyceryl monoleyl ether (GME) in mixtures of water and the solvents 1,5-pentanediol (POL) or N-methyl-2-pyrrolidone (NMP) was investigated by ocular inspection, polarization microscopy, and small-angle X-ray diffraction (SAXD). Phase diagrams were constructed based on analyses of more than 200 samples prepared using the two different solvents at 20 °C. The inverse hexagonal phase formed by GME in excess of water was transformed into the cubic and sponge phase with the increasing amount of each solvent. Particularly POL allowed for the formation of an extended sponge phase area in the phase diagram, comprising up to 70% POL-water mixture. The phase behavior using NMP was found to be similar to the earlier investigated solvent propylene glycol. The extended sponge phase for the POL system was attributed to POLs strong surface/interfacial activity with the potential to stabilize the polar/apolar interface of the sponge phase. The cubic and sponge phases formed using POL were further studied by NMR in order to measure the partitioning of POL between the lipid and aqueous domains of the phases. The domain partition coefficient K (lipid domain/aqueous domain) for POL in cubic and sponge phases was found to be 0.78 ± 0.14 and constant for the two phases.

  15. Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

    SciTech Connect

    Ching, Wai-Yim

    2014-12-31

    Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materials or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or Mn+1AXn (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.

  16. Properties of planetary ices in the NH3 + CO2 ± H2O ternary system using neutron diffraction and ab initio calculations

    NASA Astrophysics Data System (ADS)

    Howard, C. M.; Wood, I. G.; Fortes, A. D.; Vocadlo, L.

    2016-12-01

    BackgroundInteractions between simple molecules are of fundamental interest across diverse areas of the physical sciences, and the ternary system NH3 + CO2 ± H2O is no exception. In the outer solar system, interaction of CO2 with aqueous ammonia is likely to occur, synthesizing `rock-forming' minerals [1], with CO2 perhaps playing a role in ammonia-water oceans and cryomagmas inside icy planetary bodies - the discovery of ammonium carbonates in a crater of Pluto's moon Charon [2] adds weight to CO2 occuring in these planetary environments. In the same context, ammonium carbonates may have some astrobiological relevance, since removal of water leads to the formation of urea. On Earth, combination of CO2 with aqueous ammonia has relevance to carbon capture schemes [3], and there is interest in using such materials for hydrogen storage in fuel cells [4]. Consequently, from earthly matters of climate change to the study of extraterrestrial ices, understanding the structures and properties of ammonium carbonates are important. Despite this, our knowledge of ammonium carbonates is limited under ambient conditions of pressure and temperature and is entirely absent at the higher pressures, severely limiting our ability to model the behaviour of NH3 + CO2 ± H2O solids and fluids in planetary environments. ResultsWe report the results of several experiments using variable pressure and temperature neutron diffraction work on ammonium carbonate monohydrate, ammonium bicarbonate and ammonium carbamate, with complementary Density Functional Theory (DFT) calculations. The excellent agreement between experiments and DFT calculations obtained so far adds weight to the accuracy of calculated material properties of ammonium sesquicarbonate monohydrate and several polymorphs of urea where little empirical data exists. These experimental and computational studies provide the structural, thermoelastic and vibrational information required for accurate planetary modelling and remote

  17. Acetone-butanol-ethanol competitive sorption simulation from single, binary, and ternary systems in a fixed-bed of KA-I resin.

    PubMed

    Wu, Jinglan; Zhuang, Wei; Ying, Hanjie; Jiao, Pengfei; Li, Renjie; Wen, Qingshi; Wang, Lili; Zhou, Jingwei; Yang, Pengpeng

    2015-01-01

    Separation of butanol based on sorption methodology from acetone-butanol-ethanol (ABE) fermentation broth has advantages in terms of biocompatibility and stability, as well as economy, and therefore gains much attention. In this work a chromatographic column model based on the solid film linear driving force approach and the competitive Langmuir isotherm equations was used to predict the competitive sorption behaviors of ABE single, binary, and ternary mixture. It was observed that the outlet concentration of weaker retained components exceeded the inlet concentration, which is an evidence of competitive adsorption. Butanol, the strongest retained component, could replace ethanol almost completely and also most of acetone. In the end of this work, the proposed model was validated by comparison of the experimental and predicted ABE ternary breakthrough curves using the real ABE fermentation broth as a feed solution. © 2014 American Institute of Chemical Engineers.

  18. Material properties of perovskites in the quasi-ternary system LaFeO3–LaCoO3–LaNiO3

    DOE PAGES

    Tietz, F.; Arul Raj, I.; Ma, Q.; ...

    2016-02-02

    We present an overview on the variation of electrical conductivity, oxygen permeation, oxygen surface exchange and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO3–LaCoO3–LaNiO3. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni0.5Fe0.5)1-xCoxO3 and LaNi0.5- xFexCo0.5O3, are presented after the powders had been sintered at 1100 C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi0.5Fe0.5O3 for which 60% rhombohedral and 40% orthorhombic phase was found. Moreover, the maximummore » DC electrical conductivity value of the perovskites at 800 C was 1229 S cm-1 for the composition LaCoO3 and the minimum was 91 S cm-1 for the composition LaCo0.5Fe0.5O3. The oxygen permeation of samples with promising conductivities at 800 C was one order of magnitude lower than that of La0.6Sr0.4Co0.8Fe0.2O3 (LSCF). The highest value of 0.017 ml cm-2 min-1 at 950 C was obtained with LaNi0.5Co0.5O3. The coefficients of thermal expansion varied in the range of 13.2 x 10-6 K-1 and 21.9 x 10-6 K-1 for LaNi0.5Fe0.5O3 and LaCoO3, respectively. 57Fe M ssbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. Ultimately, the substitution had a great influence on the chemical properties of the materials.« less

  19. A Novel Ternary Ligand System Useful for Preparation of Cationic 99mTc-Diazenido Complexes and 99mTc-Labeling of Small Biomolecules

    PubMed Central

    Kim, Young-Seung; He, Zhengjie; Hsieh, Wen-Yuan; Liu, Shuang

    2008-01-01

    This report describes a novel ternary ligand system composed of a phenylhydrazine, a crown ether-containing dithiocarbamate (DTC) and a PNP-type bisphosphine (PNP). The combination of three different ligands with 99mTc results in cationic 99mTc-diazenido complexes,[99mTc(NNAr)(DTC)(PNP)]+, with potential radiopharmaceuticals for heart imaging. Synthesis of cationic 99mTc-diazenido complexes can be accomplished in two steps with high yield. For example, the reaction of phenylhydrazine with 99mTcO4− at 100 °C in the presence of excess stannous chloride and 1,2-diaminopropane-N,N,N’,N’-tetraacetic acid (PDTA) results in the [99mTc(NNPh)(PDTA)n] intermediate, which then reacts with sodium N-(dithiocarbamato)-2-aminimethyl-15-Crown-5 (L4) and N,N-bis[2-(bis(3-ethoxypropyl)phosphino)ethyl]ethoxy-ethylamine (PNP6) at 100 °C for 15 min to give the complex, [99mTc(NNPh)(L4)(PNP6)]+ in high yield (> 90%). Cationic complexes [99mTc(NNPh)(DTC)(PNP)]+ are stable for ≥6 h. Their composition was determined to be 1:1:1:1 for Tc:NNPh:DTC:PNP using the mixed-ligand experiments on the tracer (99mTc) level, and was further confirmed by the ESI-MS spectral data of a model compound [Re(NNPh)(L4)(L6)]+. It was found that both DTCs and bisphosphines have a significant impact on the lipophilicity of their cationic 99mTc-diazenido complexes. Results from a 99mTc-labeling efficiency experiment showed that 4-hydrazinobenzoic acid (HYBA) might be useful as a bifunctional coupling agent for 99mTc-labeling of small biomolecules. However, the 99mTc-labeling efficiency of HYBA is much lower than that of 6-hydrazinonicotinic acid (HYNIC) with tricine and trisodium triphenylphosphine-3,3’,3”-trisulfonate (TPPTS) as coligands. PMID:16536480

  20. Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - II. Calibration of a combined ordering model and mixing model

    USGS Publications Warehouse

    McSwiggen, P.L.

    1993-01-01

    Earlier attempts at solution models for the ternary carbonate system have been unable to adequately accommodate the cation ordering which occurs in some of the carbonate phases. The carbonate solution model of this study combines a Margules type of interaction model with a Bragg-Williams type of ordering model. The ordering model determines the equilibrium state of order for a crystal, from which the cation distribution within the lattice can be obtained. The interaction model addresses the effect that mixing different cation species within a given cation layer has on the total free energy of the system. An ordering model was derived, based on the Bragg-Williams approach; it is applicable to ternary systems involving three cations substituting on two sites, and contains three ordering energy parameters (WCaMg, WCaFe, and WCaMgFe). The solution model of this study involves six Margules-type interaction parameters (W12, W21, W13, W31, W23, and W32). Values for the two sets of energy parameters were calculated from experimental data and from compositional relationships in natural assemblages. ?? 1993 Springer-Verlag.

  1. Probing the interaction of human serum albumin with bilirubin in the presence of aspirin by multi-spectroscopic, molecular modeling and zeta potential techniques: insight on binary and ternary systems.

    PubMed

    Hosainzadeh, Akram; Gharanfoli, Mohsen; Saberi, Mohammad; Chamani, JamshidKhan

    2012-01-01

    Here, we report on the effect of aspirin (ASA), on the binding parameters with regard to bilirubin (BR) to human serum albumin (HSA). Two different classes of binding sites were detected. Binding to the first and second classes of the binding sites was dominated by hydrophobic forces in the case of HSA-BR, whereas in the case of the ternary system, binding to the first and second classes of the binding sites was achieved by electrostatic interaction. The binding constant (K(a)) and number of binding site (n) obtained were 1.6 × 10(6)M(-1) and 0.98, respectively, for the primary binding site in the case of HSA-BR, and 3.7 × 10(6)M(-1) and 0.84, respectively, in the presence of ASA (ternary complex) at λ(ex)= 280 nm. The progressive quenching of the protein fluorescence as the BR concentration increased indicated an arrangement of the domain IIA in HSA. Changes in the environment of the aromatic residues were also observed by synchronous fluorescence spectroscopy (SFS). Changes of the secondary structure of HSA involving a decrease of α-helical and β-sheet contents and increased amounts of turns and unordered conformations were mainly found at high concentrations of BR. For the first time, the relationship between the structural parameters of HSA-BR by RLS for determining the critical induced aggregation concentration (C(CIAC)) of BR in the absence and presence of ASA was investigated, and there was a more significant enhancement in the case of the ternary mixture as opposed to the binary one. Changes in the zeta potential of HSA and the HSA-ASA complex in the presence of BR demonstrated a hydrophobic adsorption of this anionic ligand onto the surface of HSA in the binary system as well as both electrostatic and hydrophobic adsorption in the case of the ternary complex. By performing docking experiments, it was found that the acting forces between BR and HSA were mainly hydrophobic > hydrogen bonding > electrostatic interactions, and consequently BR had a long

  2. Variation of properties of glasses along the 3Bi2O3 X 5B2O3-4PbO X B2O3 and PbO X 2B2O3-2PbO X Bi2O3 sections of the PbO-Bi2O3-B2O3 ternary system

    SciTech Connect

    Zargarova, M.I.; Shuster, N.S.

    1985-07-01

    Already published data on the phase diagrams of Pb-B2O3, Bi2O3-B2O3, and PbO-Bi2O3 systems serve as the basis of this investigation, together with original experiments on the PbO-Bi2O3-B2O3 ternary system. The authors establish the quasi binary nature of the 3Bi2O3 X 5B2O3 - 4PbO X B2O3 section with the formation of the congruently melting ternary compound 3Bi2O3 X 8PbO X 7B2O3, and they demonstrate the role of the ternary compound 3Bi2O3 X 8PbO X 7B2O3 as a glass former in the PbO-Bi2O3 - B2O3 system.

  3. Ternary bulk heterojunction for wide spectral range organic photodetectors

    NASA Astrophysics Data System (ADS)

    Shin, Hojung; Kim, Jaehoon; Lee, Changhee

    2017-08-01

    Ternary bulk heterojunction (BHJ) system, dual electron donors and an acceptor, was studied for developing wide spectral range organic photodetectors (OPDs). With two electron donor polymers with different bandgaps and an efficient electron acceptor of [6,6]-Phenyl-C71-butyric acid methyl ester (PC70BM), different blend ratios for ternary BHJ OPD were examined to achieve high photoresponsivity over a wide spectral range. OPDs based on ternary BHJ showed improved photovoltage response compared to binary BHJ. Current-voltage (J-V) characteristics as a function of external bias and light illumination were measured to reveal the underlying charge recombination mechanism which is found to be dominantly ruled by space charge limit (SCL) effect. Additional in-depth analyses including absorbance, cross-section scanning electron microscope (SEM), incident photon-to-electron conversion efficiency (IPCE) were performed.

  4. Ternary jitter-based true random number generator

    NASA Astrophysics Data System (ADS)

    Latypov, Rustam; Stolov, Evgeni

    2017-01-01

    In this paper a novel family of generators producing true uniform random numbers in ternary logic is presented. The generator consists of a number of identical ternary logic combinational units connected into a ring. All the units are provided to have a random delay time, and this time is supposed to be distributed in accordance with an exponential distribution. All delays are supposed to be independent events. The theory of the generator is based on Erlang equations. The generator can be used for test production in various systems. Features of multidimensional random vectors, produced by the generator, are discussed.

  5. Influence of hydroxyapatite nanoparticles on the viscosity of dimethyl sulfoxide-H2O-NaCl and glycerol-H2O-NaCl ternary systems at subzero temperatures.

    PubMed

    Yi, Jingru; Tang, Heyu; Zhao, Gang

    2014-10-01

    The viscosity, at subzero temperatures, of ternary solutions commonly used in cryopreservation is tremendously important for understanding ice formation and molecular diffusion in biopreservation. However, this information is scarce in the literature. In addition, to the best of our knowledge, the effect of nanoparticles on the viscosity of these solutions has not previously been reported. The objectives of this study were thus: (i) to systematically measure the subzero viscosity of two such systems, dimethyl sulfoxide (Me2SO)-H2O-NaCl and glycerol-H2O-NaCl; (ii) to explore the effect of hydroxyapatite (HA) nanoparticles on the viscosity; and (iii) to provide models that precisely predict viscosity at multiple concentrations of cryoprotective agent (CPA) in saline solutions at subzero temperatures. Our experiments were performed in two parts. We first measured the viscosity at multiple CPA concentrations [0.3-0.75 (w/w)] in saline solution with and without nanoparticles at subzero temperatures (0 to -30°C). The data exhibited a good fit to the Williams-Landel-Ferry (WLF) equation. We then measured the viscosity of residual unfrozen ternary solutions with and without nanoparticles during equilibrium freezing. HA nanoparticles made the solution more viscous, suggesting applications for these nanoparticles in preventing cell dehydration, ice nucleation, and ice growth during freezing and thawing in cryopreservation. Copyright © 2014 Elsevier Inc. All rights reserved.

  6. Pt-B System Revisited: Pt2B, a New Structure Type of Binary Borides. Ternary WAl12-Type Derivative Borides.

    PubMed

    Sologub, Oksana; Salamakha, Leonid; Rogl, Peter; Stöger, Berthold; Bauer, Ernst; Bernardi, Johannes; Giester, Gerald; Waas, Monika; Svagera, Robert

    2015-11-16

    On the basis of a detailed study applying X-ray single-crystal and powder diffraction, differential scanning calorimetry, and scanning electron microscopy analysis, it was possible to resolve existing uncertainties in the Pt-rich section (≥65 atom % Pt) of the binary Pt-B phase diagram above 600 °C. The formation of a unique structure has been observed for Pt2B [X-ray single-crystal data: space group C2/m, a = 1.62717(11) nm, b = 0.32788(2) nm, c = 0.44200(3) nm, β = 104.401(4)°, RF2 = 0.030]. Within the homogeneity range of "Pt3B", X-ray powder diffraction phase analysis prompted two structural modifications as a function of temperature. The crystal structure of "hT-Pt3B" complies with the hitherto reported structure of anti-MoS2 [space group P63/mmc, a = 0.279377(2) nm, c = 1.04895(1) nm, RF = 0.075, RI = 0.090]. The structure of the new "[Formula: see text]T-Pt3B" is still unknown. The formation of previously reported Pt∼4B has not been confirmed from binary samples. Exploration of the Pt-rich section of the Pt-Cu-B system at 600 °C revealed a new ternary compound, Pt12CuB6-y [X-ray single-crystal data: space group Im3̅, a = 0.75790(2) nm, y = 3, RF2 = 0.0129], which exhibits the filled WAl12-type structure accommodating boron in the interstitial trigonal-prismatic site 12e. The isotypic platinum-aluminum-boride was synthesized and studied. The solubility of copper in binary platinum borides has been found to attain ∼7 atom % Cu for Pt2B but to be insignificant for "[Formula: see text]T-Pt3B". The architecture of the new Pt2B structure combines puckered layers of boron-filled and empty [Pt6] octahedra (anti-CaCl2-type fragment) alternating along the x axis with a double layer of boron-semifilled [Pt6] trigonal prisms interbedded with a layer of empty tetrahedra and tetragonal pyramids (B-deficient α-T[Formula: see text]I fragment). Assuming boron vacancies ordering (space group R3), the Pt12CuB6-y structure exhibits serpentine-like columns of edge

  7. High-performance ternary blend polymer solar cells involving both energy transfer and hole relay processes

    SciTech Connect

    Lu, Luyao; Chen, Wei; Xu, Tao; Yu, Luping

    2015-06-04

    The integration of multiple materials with complementary absorptions into a single junction device is regarded as an efficient way to enhance the power conversion efficiency (PCE) of organic solar cells (OSCs). However, because of increased complexity with one more component, only limited high-performance ternary systems have been demonstrated previously. Here we report an efficient ternary blend OSC with a PCE of 9.2%. We show that the third component can reduce surface trap densities in the ternary blend. Detailed studies unravel that the improved performance results from synergistic effects of enlarged open circuit voltage, suppressed trap-assisted recombination, enhanced light absorption, increased hole extraction, efficient energy transfer and better morphology. The working mechanism and high device performance demonstrate new insights and design guidelines for high-performance ternary blend solar cells and suggest that ternary structure is a promising platform to boost the efficiency of OSCs.

  8. High-performance ternary blend polymer solar cells involving both energy transfer and hole relay processes

    DOE PAGES

    Lu, Luyao; Chen, Wei; Xu, Tao; ...

    2015-06-04

    The integration of multiple materials with complementary absorptions into a single junction device is regarded as an efficient way to enhance the power conversion efficiency (PCE) of organic solar cells (OSCs). However, because of increased complexity with one more component, only limited high-performance ternary systems have been demonstrated previously. Here we report an efficient ternary blend OSC with a PCE of 9.2%. We show that the third component can reduce surface trap densities in the ternary blend. Detailed studies unravel that the improved performance results from synergistic effects of enlarged open circuit voltage, suppressed trap-assisted recombination, enhanced light absorption, increasedmore » hole extraction, efficient energy transfer and better morphology. As a result, the working mechanism and high device performance demonstrate new insights and design guidelines for high-performance ternary blend solar cells and suggest that ternary structure is a promising platform to boost the efficiency of OSCs.« less

  9. Factoring with qutrits: Shor's algorithm on ternary and metaplectic quantum architectures

    NASA Astrophysics Data System (ADS)

    Bocharov, Alex; Roetteler, Martin; Svore, Krysta M.

    2017-07-01

    We determine the cost of performing Shor's algorithm for integer factorization on a ternary quantum computer, using two natural models of universal fault-tolerant computing: (i) a model based on magic state distillation that assumes the availability of the ternary Clifford gates, projective measurements, classical control as its natural instrumentation set; (ii) a model based on a metaplectic topological quantum computer (MTQC). A natural choice to implement Shor's algorithm on a ternary quantum computer is to translate the entire arithmetic into a ternary form. However, it is also possible to emulate the standard binary version of the algorithm by encoding each qubit in a three-level system. We compare the two approaches and analyze the complexity of implementing Shor's period-finding function in the two models. We also highlight the fact that the cost of achieving universality through magic states in MTQC architecture is asymptotically lower than in generic ternary case.

  10. High-performance ternary blend polymer solar cells involving both energy transfer and hole relay processes

    PubMed Central

    Lu, Luyao; Chen, Wei; Xu, Tao; Yu, Luping

    2015-01-01

    The integration of multiple materials with complementary absorptions into a single junction device is regarded as an efficient way to enhance the power conversion efficiency (PCE) of organic solar cells (OSCs). However, because of increased complexity with one more component, only limited high-performance ternary systems have been demonstrated previously. Here we report an efficient ternary blend OSC with a PCE of 9.2%. We show that the third component can reduce surface trap densities in the ternary blend. Detailed studies unravel that the improved performance results from synergistic effects of enlarged open circuit voltage, suppressed trap-assisted recombination, enhanced light absorption, increased hole extraction, efficient energy transfer and better morphology. The working mechanism and high device performance demonstrate new insights and design guidelines for high-performance ternary blend solar cells and suggest that ternary structure is a promising platform to boost the efficiency of OSCs. PMID:26041586

  11. Thermodynamics of the formation of sulfuric acid dimers in the binary (H2SO4-H2O) and ternary (H2SO4-H2O-NH3) system

    NASA Astrophysics Data System (ADS)

    Kürten, A.; Münch, S.; Rondo, L.; Bianchi, F.; Duplissy, J.; Jokinen, T.; Junninen, H.; Sarnela, N.; Schobesberger, S.; Simon, M.; Sipilä, M.; Almeida, J.; Amorim, A.; Dommen, J.; Donahue, N. M.; Dunne, E. M.; Flagan, R. C.; Franchin, A.; Kirkby, J.; Kupc, A.; Makhmutov, V.; Petäjä, T.; Praplan, A. P.; Riccobono, F.; Steiner, G.; Tomé, A.; Tsagkogeorgas, G.; Wagner, P. E.; Wimmer, D.; Baltensperger, U.; Kulmala, M.; Worsnop, D. R.; Curtius, J.

    2015-09-01

    Sulfuric acid is an important gas influencing atmospheric new particle formation (NPF). Both the binary (H2SO4-H2O) system and the ternary system involving ammonia (H2SO4-H2O-NH3) may be important in the free troposphere. An essential step in the nucleation of aerosol particles from gas-phase precursors is the formation of a dimer, so an understanding of the thermodynamics of dimer formation over a wide range of atmospheric conditions is essential to describe NPF. We have used the CLOUD chamber to conduct nucleation experiments for these systems at temperatures from 208 to 248 K. Neutral monomer and dimer concentrations of sulfuric acid were measured using a chemical ionization mass spectrometer (CIMS). From these measurements, dimer evaporation rates in the binary system were derived for temperatures of 208 and 223 K. We compare these results to literature data from a previous study that was conducted at higher temperatures but is in good agreement with the present study. For the ternary system the formation of H2SO4·NH3 is very likely an essential step in the formation of sulfuric acid dimers, which were measured at 210, 223, and 248 K. We estimate the thermodynamic properties (dH and dS) of the H2SO4·NH3 cluster using a simple heuristic model and the measured data. Furthermore, we report the first measurements of large neutral sulfuric acid clusters containing as many as 10 sulfuric acid molecules for the binary system using chemical ionization-atmospheric pressure interface time-of-flight (CI-APi-TOF) mass spectrometry.

  12. Adiabatic pipelining: a key to ternary computing with quantum dots.

    PubMed

    Pečar, P; Ramšak, A; Zimic, N; Mraz, M; Lebar Bajec, I

    2008-12-10

    The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

  13. Surface Segregation in Ternary Alloys

    NASA Technical Reports Server (NTRS)

    Good, Brian; Bozzolo, Guillermo H.; Abel, Phillip B.

    2000-01-01

    Surface segregation profiles of binary (Cu-Ni, Au-Ni, Cu-Au) and ternary (Cu-Au-Ni) alloys are determined via Monte Carlo-Metropolis computer simulations using the BFS method for alloys for the calculation of the energetics. The behavior of Cu or Au in Ni is contrasted with their behavior when both are present. The interaction between Cu and Au and its effect on the segregation profiles for Cu-Au-Ni alloys is discussed.

  14. A theoretical investigation into the cooperativity effect between the H∙∙∙O and H∙∙∙F⁻ interactions and electrostatic potential upon 1:2 (F⁻:N-(Hydroxymethyl)acetamide) ternary-system formation.

    PubMed

    Tian, Qing-Ping; Wang, Yan-Hong; Shi, Wen-Jing; Song, Shu-Qin; Tang, Hai-Fei

    2013-12-01

    The cooperativity effects between the O/N-H∙∙∙F(-) anionic hydrogen-bonding and O/N-H∙∙∙O hydrogen-bonding interactions and electrostatic potentials in the 1:2 (F(-):N-(Hydroxymethyl)acetamide (signed as "ha")) ternary systems are investigated at the B3LYP/6-311++G** and MP2/6-311++G** levels. A comparison of the cooperativity effect in the "F(-)∙∙∙ha∙∙∙ha" and "FH∙∙∙ha(-)∙∙∙ha" systems is also carried out. The result shows that the increase of the H∙∙∙O interaction energy in the O-H∙∙∙O-H, N-H∙∙∙O-H or N-H∙∙∙O = C link is more notable than that in the O-H∙∙∙O = C contact upon ternary-system formation. The cooperativity effect is found in the complex formed by the O/N-H∙∙∙F(-) and O/N-H∙∙∙O interactions, while the anti-cooperativity effect is present in the system with only the O/N-H∙∙∙F(-) H-bond or the "FH∙∙∙ha(-)∙∙∙ha" complex by the N(-)∙∙∙H-F contact. Atoms in molecules (AIM) analysis and shift of electron density confirm the existence of cooperativity. The most negative surface electrostatic potential (V(S,min)) correlates well with the interaction energy E' int.(ha∙∙∙F-) and synergetic energy E(syn.), respectively. The relationship between the change of V(S,min) (i.e., ΔV(S,min)) and E(syn.) is also found.

  15. Retention mechanisms of citric acid in ternary kaolinite-Fe(III)-citrate acid systems using Fe K-edge EXAFS and L3,2-edge XANES spectroscopy

    SciTech Connect

    Yang, Jianjun; Wang, Jian; Pan, Weinan; Regier, Tom; Hu, Yongfeng; Rumpel, Cornelia; Bolan, Nanthi; Sparks, Donald

    2016-05-23

    Organic carbon (OC) stability in tropical soils is strongly interlinked with multivalent cation interaction and mineral association. Low molecular weight organic acids (LMWOAs) represent the readily biodegradable OC. Therefore, investigating retention mechanisms of LMWOAs in mineral-cation-LMWOAs systems is critical to understanding soil C cycling. Given the general acidic conditions and dominance of kaolinite in tropical soils, we investigated the retention mechanisms of citric acid (CA) in kaolinite-Fe(III)-CA systems with various Fe/CA molar ratios at pH ~3.5 using Fe K-edge EXAFS and L-3,2-edge XANES techniques. With Fe/CA molar ratios >2, the formed ferrihydrite mainly contributed to CA retention through adsorption and/or coprecipitation. With Fe/CA molar ratios from 2 to 0.5, ternary complexation of CA to kaolinite via a five-coordinated Fe(III) bridge retained higher CA than ferrihydrite-induced adsorption and/or coprecipitation. With Fe/CA molar ratios ≤ 0.5, kaolinite-Fe(III)-citrate complexation preferentially occurred, but less CA was retained than via outer-sphere kaolinite-CA complexation. This study highlighted the significant impact of varied Fe/CA molar ratios on CA retention mechanisms in kaolinite-Fe(III)-CA systems under acidic conditions, and clearly showed the important contribution of Fe-bridged ternary complexation on CA retention. In conclusion, these findings will enhance our understanding of the dynamics of CA and other LMWOAs in tropical soils.

  16. Determination of sulfonamides in swine muscle after salting-out assisted liquid extraction with acetonitrile coupled with back-extraction by a water/acetonitrile/dichloromethane ternary component system prior to high-performance liquid chromatography.

    PubMed

    Tsai, Wen-Hsien; Huang, Tzou-Chi; Chen, Ho-Hsien; Wu, Yuh-Wern; Huang, Joh-Jong; Chuang, Hung-Yi

    2010-01-15

    A salting-out assisted liquid extraction coupled with back-extraction by a water/acetonitrile/dichloromethane ternary component system combined with high-performance liquid chromatography with diode-array detection (HPLC-DAD) was developed for the extraction and determination of sulfonamides in solid tissue samples. After the homogenization of the swine muscle with acetonitrile and salt-promoted partitioning, an aliquot of 1 mL of the acetonitrile extract containing a small amount of dichloromethane (250-400 microL) was alkalinized with diethylamine. The clear organic extract obtained by centrifugation was used as a donor phase and then a small amount of water (40-55 microL) could be used as an acceptor phase to back-extract the analytes in the water/acetonitrile/dichloromethane ternary component system. In the back-extraction procedure, after mixing and centrifuging, the sedimented phase would be water and could be withdrawn easily into a microsyringe and directly injected into the HPLC system. Under the optimal conditions, recoveries were determined for swine muscle fortified at 10 ng/g and quantification was achieved by matrix-matched calibration. The calibration curves of five sulfonamides showed linearity with the coefficient of estimation above 0.998. Relative recoveries for the analytes were all from 96.5 to 109.2% with relative standard deviation of 2.7-4.0%. Preconcentration factors ranged from 16.8 to 30.6 for 1 mL of the acetonitrile extract. Limits of detection ranged from 0.2 to 1.0 ng/g.

  17. Syntheses, characterization, and optical properties of ternary Ba-Sn-S system compounds: acentric Ba7Sn5S15, centric BaSn2S5, and centric Ba6Sn7S20.

    PubMed

    Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen

    2013-01-07

    Three new ternary Ba-Sn-S system compounds, acentric Ba(7)Sn(5)S(15), centric BaSn(2)S(5), and centric Ba(6)Sn(7)S(20) have been designed and synthesized by a conventional high-temperature solid-state reaction method using the evacuated silica tubes. The crystal structure of Ba(7)Sn(5)S(15) shows the coexistence of a SnS(4) tetrahedral and a Sn(2)S(3) trigonal bipyramid. Importantly, the larger dipole moment of the [Sn(2)S(3)](2-) trigonal bipyramid group and the polarity enhancement of the bipyramidal arrangements result in a strong SHG effect at 2.05 μm, which is 10 times of the SHG intensity of the benchmark AgGaS(2) with the particle size of 30-46 μm and twice as much as that with the particle size of 150-212 μm. Evidently, the acentric Ba(7)Sn(5)S(15) is a novel IR NLO crystal material with a wide mid-IR window and a strong SHG effect, which is the first reported among the Ba-Sn-S ternary system. Moreover, Ba(7)Sn(5)S(15) can achieve type-I phase-matching that can be used for practical applications. In the centric BaSn(2)S(5,) all Sn atoms are coordinated by five S atoms to form novel SnS(5) trigonal bipyramid polyhedrons. In the other centric Ba(6)Sn(7)S(20), there is the coexistence of the two coordination patterns with a SnS(5) trigonal bipyramid and SnS(4) tetrahedral polyhedrons, featuring a special crystal structure in the Ba-Sn-S system.

  18. Mixed ternary heterojunction solar cell

    DOEpatents

    Chen, Wen S.; Stewart, John M.

    1992-08-25

    A thin film heterojunction solar cell and a method of making it has a p-type layer of mixed ternary I-III-VI.sub.2 semiconductor material in contact with an n-type layer of mixed binary II-VI semiconductor material. The p-type semiconductor material includes a low resistivity copper-rich region adjacent the back metal contact of the cell and a composition gradient providing a minority carrier mirror that improves the photovoltaic performance of the cell. The p-type semiconductor material preferably is CuInGaSe.sub.2 or CuIn(SSe).sub.2.

  19. Effect of Alloying Elements on Nb-Rich Portion of Nb-Si-X Ternary Systems and In Situ Crack Observation of Nb-Si-Based Alloys

    NASA Astrophysics Data System (ADS)

    Miura, Seiji; Hatabata, Toru; Okawa, Takuya; Mohri, Tetsuo

    2014-01-01

    To find a new route for microstructure control and to find additive elements beneficial for improving high-temperature strength, a systematic investigation is performed on hypoeutectic Nb-15 at. pct Si-X ternary alloys containing a transition element, Fe, Co, Ni, Cu, Ru, Rh, Pd, Re, Os, Ir, Pt, or Au. Information on phase equilibrium is classified in terms of phase stability of silicide phases, α Nb5Si3, Nb4SiX, and Nb3Si, and the relationship between microstructure and mechanical properties both at room temperature and high temperature is investigated. All the additive elements are found to stabilize either α Nb5Si3 or Nb4SiX but destabilize Nb3Si. A microstructure of Nbss/α Nb5Si3 alloy composed of spheroidized α Nb5Si3 phase embedded in the Nbss matrix is effective for toughening, regardless of the initial as-cast microstructure. Also the plastic deformation of Nbss dendrites may effectively suppress the propagation of longer cracks. High-temperature strength of alloys is governed by the deformation of Nbss phase and increases with higher melting point additives.

  20. Studies of Ternary Surface Complexes at Liquid-Solid Interfaces in Seawater

    PubMed

    Zhengbin; Wei; Liansheng; Youjun; Zhijian

    1997-06-01

    The E (%)-pH curves of the ternary surface complexes at liquid-solid interfaces in the simulated seawater system of alpha-FeOOH-Cu(II)-tryptophan were determined. The diffuse reflectance IR spectra of the species at the solid surfaces in the above ternary equilibration system were examined. The above two results were comparatively studied. It is shown that the coadsorption of Cu(II) and tryptophan on alpha-FeOOH surface results in the formation of the ternary surface complex. Cu(II) can promote the exchange adsorption of tryptophan on alpha-FeOOH surface. The diffuse reflectance IR spectra can give us some evidence for the structure of the ternary surface complex, and these results are in accordance with the results of the E (%)-pH curves.

  1. High pressure synthesis and properties of ternary titanium (III) fluorides in the system KF-TiF{sub 3} containing regular pentagonal bipyramids [TiF{sub 7}

    SciTech Connect

    Yamanaka, Shoji; Yasuda, Akira; Miyata, Hajime

    2010-01-15

    Titanium trifluoride TiF{sub 3} has the distorted ReO{sub 3} structure composed of corner sharing TiF{sub 6} octahedra linked with Ti-F-Ti bridges. Potassium fluoride KF was inserted into the bridges using high-pressure and high-temperature conditions (5 GPa, 1000-1200 deg. C). When the molar ratio KF/TiF{sub 3}>=1, a few low dimensional compounds were obtained forming non-bridged F ions. At the composition KF/TiF{sub 3}=1/2, a new compound KTi{sub 2}F{sub 7} was formed, which crystallizes with the space group Cmmm and the lattice parameters of a=6.371(3), b=10.448(6), c=3.958(2) A, consisting of edge-sharing pentagonal bipyramids [TiF{sub 7}] forming ribbons running along the a axis. The ribbons are linked by corners to construct a three-dimensional framework without forming non-bridged F ions. The compound is antiferromagnetic with the Neel temperature T{sub N}=75 K, and the optical band gap was 6.4 eV. A new fluoride K{sub 2}TiF{sub 5} (KF/TiF{sub 3}=2) with the space group Pbcn and the lattice parameters of a=7.4626(2), b=12.9544(4) and c=20.6906(7) A was also obtained by the high pressure and high temperature treatment (5 GPa at 1000 deg. C) of a molar mixture of 2 KF+TiF{sub 3}. The compound contains one-dimensional chains of corner-sharing TiF{sub 6} octahedra. - Graphical Abstract: A new ternary fluoride KTi{sub 2}F{sub 7} has been developed under high-pressure and high-temperature conditions, which contains pentagonal bipyramid polyhedra [TiF{sub 7}].

  2. Use of spectroscopic, zeta potential and molecular dynamic techniques to study the interaction between human holo-transferrin and two antagonist drugs: comparison of binary and ternary systems.

    PubMed

    Kabiri, Mona; Amiri-Tehranizadeh, Zeinab; Baratian, Ali; Saberi, Mohammad Reza; Chamani, Jamshidkhan

    2012-03-12

    For the first time, the binding of ropinirole hydrochloride (ROP) and aspirin (ASA) to human holo-transferrin (hTf) has been investigated by spectroscopic approaches (fluorescence quenching, synchronous fluorescence, time-resolved fluorescence, three-dimensional fluorescence, UV-vis absorption, circular dichroism, resonance light scattering), as well as zeta potential and molecular modeling techniques, under simulated physiological conditions. Fluorescence analysis was used to estimate the effect of the ROP and ASA drugs on the fluorescence of hTf as well as to define the binding and quenching properties of binary and ternary complexes. The synchronized fluorescence and three-dimensional fluorescence spectra demonstrated some micro-environmental and conformational changes around the Trp and Tyr residues with a faint red shift. Thermodynamic analysis displayed the van der Waals forces and hydrogen bonds interactions are the major acting forces in stabilizing the complexes. Steady-state and time-resolved fluorescence data revealed that the fluorescence quenching of complexes are static mechanism. The effect of the drugs aggregating on the hTf resulted in an enhancement of the resonance light scattering (RLS) intensity. The average binding distance between were computed according to the forster non-radiation energy transfer theory. The circular dichroism (CD) spectral examinations indicated that the binding of the drugs induced a conformational change of hTf. Measurements of the zeta potential indicated that the combination of electrostatic and hydrophobic interactions between ROP, ASA and hTf formed micelle-like clusters. The molecular modeling confirmed the experimental results. This study is expected to provide important insight into the interaction of hTf with ROP and ASA to use in various toxicological and therapeutic processes.

  3. Thermodynamic properties of liquid Mg-ln-Cd ternary solutions

    NASA Astrophysics Data System (ADS)

    Moser, Z.; Gasior, W.; Panek, Z.

    1984-09-01

    By means of concentration cells of the following type: Mg(s)∣MgCl2 in (LiCl-KCl)eut( l)∣Mg-In or Mg-ln-Cd( l), the partial thermodynamic data of Mg in Mg-ln and Mg-ln-Cd liquid solutions have been obtained in the composition range 0.1 ≤ XMg ≤ 0.7 for binary while for ternary alloys for t = 0.4, 0.6, and 0.8 (where t = XIn/(XIn + XCd)) and at various mangesium concentrations 0.1≤ XMg ≤ 0.6. Both ternary and binary alloys were investigated at a temperature range 750 to 900 K. Experimental partial excess Gibbs energies of Mg were interpreted by the Pelton and Flengas method. Results for Mg-ln system show a slight difference in comparison with previously published data for the same system also from emf studies. Results of this study for Mg-ln system exhibit negative and positive excess entropies of magnesium and the same is observed in ternary system Mg-ln-Cd at the range of concentration close to Mg-ln.

  4. TERNARY ALLOY-CONTAINING PLUTONIUM

    DOEpatents

    Waber, J.T.

    1960-02-23

    Ternary alloys of uranium and plutonium containing as the third element either molybdenum or zirconium are reported. Such alloys are particularly useful as reactor fuels in fast breeder reactors. The alloy contains from 2 to 25 at.% of molybdenum or zirconium, the balance being a combination of uranium and plutonium in the ratio of from 1 to 9 atoms of uranlum for each atom of plutonium. These alloys are prepared by melting the constituent elements, treating them at an elevated temperature for homogenization, and cooling them to room temperature, the rate of cooling varying with the oomposition and the desired phase structure. The preferred embodiment contains 12 to 25 at.% of molybdenum and is treated by quenching to obtain a body centered cubic crystal structure. The most important advantage of these alloys over prior binary alloys of both plutonium and uranium is the lack of cracking during casting and their ready machinability.

  5. Solubilities of salts in the ternary systems NaCl + CaCl2 + H2O and KCl + CaCl2 + H2O at 75°C

    NASA Astrophysics Data System (ADS)

    Yang, Ji-Min; Liu, Xiao-Lin; Liang, Pei-Pei

    2011-07-01

    The solubility in the NaCl-CaCl2-H2O and KCl-CaCl2-H2O systems were determined at 75°C and the phase diagrams and the diagram of physicochemical property vs composition were plotted. One invariant point, two univariant curves, and two crystallization zones, corresponding to potassium chloride, dihydrate (CaCl2 · 2H2O) showed up in the phase diagrams of the ternary systems. The mixing parameters θM, Ca and ΨM, Ca, Cl (M = Na or K) and equilibrium constant K sp were evaluated in NaCl-CaCl2-H2O and KCl-CaCl2-H2O systems by least-squares optimization procedure, in which the single-salt Pitzer parameters of NaCl, KCl, and CaCl2 β(0), β(1), β(2), and C Φ were directly calculated from the literature. The results obtained were in good agreement with the experimental data.

  6. A Structural Study on the Foaming Behavior of CaO-SiO2-MO (MO = MgO, FeO, or Al2O3) Ternary Slag System

    NASA Astrophysics Data System (ADS)

    Park, Youngjoo; Min, Dong Joon

    2017-08-01

    The foaming index of the CaO-SiO2-MO (MO = MgO, FeO, or Al2O3) ternary slag system with a fixed CaO/SiO2 ratio is measured to understand the effect of the ionic structure. At 1773 K (1500 °C), the foaming index of the slag increases with Al2O3 addition and decreases with MgO or FeO addition at a fixed CaO/SiO2 ratio. It is verified that the previous correlation between the foaming index and the physical properties could also be valid for the CaO-SiO2-(MgO or Al2O3) system. Raman spectroscopy for the CaO/SiO2 = 1.0 slag is applied to explain the foaming behavior from an ionic structural perspective. From the ionic structural viewpoint, the fractional change in each silicate anion unit is identified by de-convoluted Raman spectra. The Raman spectra indicate that the silicate network structure is polymerized with Al2O3 as an aluminosilicate structure; in contrast, de-polymerization occurs by MgO or FeO addition. Furthermore, the relationship between the silicate structure and the thermodynamic stability function is discussed. Since the ionic structure of the molten slag affects various physical/thermodynamic properties, the foaming behavior could be successfully interpreted from the ionic structural viewpoint.

  7. Experimental Investigation of Ternary Alloys for Fusion Breeding Blankets

    SciTech Connect

    Choi, B. William; Chiu, Ing L.

    2015-10-26

    Future fusion power plants based on the deuterium-tritium (DT) fuel cycle will be required to breed the T fuel via neutron reactions with lithium, which will be incorporated in a breeding blanket that surrounds the fusion source. Recent work by LLNL proposed the used of liquid Li as the breeder in an inertial fusion energy (IFE) power plant. Subsequently, an LDRD was initiated to develop alternatives ternary alloy liquid metal breeders that have reduced chemical reactivity with water and air compared to pure Li. Part of the work plan was to experimentally investigate the phase diagrams of ternary alloys. Of particular interest was measurement of the melt temperature, which must be low enough to be compatible with the temperature limits of the steel used in the construction of the chamber and heat transfer system.

  8. Topologically insulating states in ternary transition metal dichalcogenides

    NASA Astrophysics Data System (ADS)

    Lin, Xianqing; Ni, Jun

    2017-01-01

    The topological and electronic properties of monolayered monoclinic transition metal dichalcogenide (TMD) alloys (1T '-M1-xNxX2 with M, N = Cr, Mo, W and X = S, Se) have been studied through calculations based on the projected Wannier functions obtained from first-principles calculations. We predict that the ternary compounds 1T '-Mo1-xCrxS2 with x up to 7/12 and all 1T '-Mo1-xWxSe2 host topologically insulating states with band gaps comparable to the pure systems. For Cr contained alloys, the mechanism of sign changing of Berry curvature is proposed to explain the trivial band topology of some configurations. The predicted topologically insulating ternary TMDs may be promising candidates for future realization of topological devices.

  9. Ternary liquid-liquid equilibria of Eugenol + Isobutanol + H2O and β-Caryophyllene + Isobutanol + H2O systems at temperatures 303.15 and 323.15 K

    NASA Astrophysics Data System (ADS)

    Parameswari, Zahrida D.; Kurniawan, Andre M.; Wibawa, Gede; Kuswandi, Kuswandi

    2017-05-01

    The liquid-liquid equilibrium (LLE) data of ternary Eugenol + Isobutanol + H2O and β-Caryophyllene + Isobutanol + H2O systems were measured at temperatures of 303.15 K and 323.15 K. Equilibrium cell with water jacket for keeping the temperature was used. Equilibrium data were obtained by stirring the mixture for 4 hours and settled for 20 hours to allow the system reach the equilibrium state. Samples of organic and aqueous phases were analyzed using Gas Chromatography. All the measured data were correlated using NRTL and UNIQUAC models. The reliability of the models is tested by comparison of calculated equilibrium compositions with experimental data in terms of root mean square deviations (RMSD). The system exhibited type II phase behaviour from immiscible area. It has two pairs miscible components (Eugenol + Isobutanol and β-Caryophyllene + Isobutanol), two pairs partially miscible components (Eugenol + H2O and Isobutanol + H2O) and one pair immiscible components (β-Caryophyllene + H2O). The temperatures on this system have small effect on immiscible zone and slope of tie lines. Based on experiment and calculation results, Eugenol + Isobutanol + H2O system has been successfully represented slightly better using UNIQUAC model with average values of RMSD is 2.0842% meanwhile NRTL model has higher value of RMSD that is 2.1359%, and β-Caryophyllene + Isobutanol + H2O system has been successfully represented better using UNIQUAC model with average values of RMSD is 2.1521% meanwhile NRTL model has higher value of RMSD that is 3.2976%.

  10. Synergism among ternary mixtures of fourteen sweeteners.

    PubMed

    Schiffman, S S; Sattely-Miller, E A; Graham, B G; Booth, B J; Gibes, K M

    2000-04-01

    The purpose of the present study was to determine the degree of synergism of sweet taste among ternary mixtures of 14 sweeteners. A trained panel evaluated ternary mixtures of 14 sweeteners varying in chemical structure and type. The ternary mixtures that were tested were limited to those in which the compounds comprising the mixture were synergistic in binary combinations, according to an earlier study. All sweeteners in the ternary mixtures were isointense with 2% sucrose, according to a previously developed formulae. Each self-mixture was also tested (e.g. 2% sucrose + 2% sucrose + 2% sucrose). The triad with the highest mean sweetness intensity rating was alitame-neohesperidin dihydrochalcone-rebaudioside-A (10.8). This represents an increase of 99.4% when compared with the average of the self-mixtures. While this is greater than the maximum of 74% increase found for binary mixtures, more dyadic combinations of sweeteners tested previously exhibited synergism than ternary combinations tested here. However, most ternary mixtures were synergistic (significantly greater than the average of the three self-mixtures) to some degree.

  11. A Comparative Biocompatibility Analysis of Ternary Nitinol Alloys

    PubMed Central

    Haider, Waseem; Munroe, Norman; Pulletikurthi, Chandan; Singh Gill, Puneet K.; Amruthaluri, Sushma

    2009-01-01

    Nitinol alloys are rapidly being utilized as the material of choice in a variety of applications in the medical industry. It has been used for self-expanding stents, graft support systems, and various other devices for minimally invasive interventional and endoscopic procedures. However, the biocompatibility of this alloy remains a concern to many practitioners in the industry due to nickel sensitivity experienced by many patients. In recent times, several new Nitinol alloys have been introduced with the addition of a ternary element. Nevertheless, there is still a dearth of information concerning the biocompatibility and corrosion resistance of these alloys. This study compared the biocompatibility of two ternary Nitinol alloys prepared by powder metallurgy (PM) and arc melting (AM) and critically assessed the influence of the ternary element. ASTM F 2129-08 cyclic polarization in vitro corrosion tests were conducted to evaluate the corrosion resistance in phosphate buffered saline (PBS). The growth of endothelial cells on NiTi was examined using optical microscopy. PMID:19956791

  12. Optimal Symmetric Ternary Quantum Encryption Schemes

    NASA Astrophysics Data System (ADS)

    Wang, Yu-qi; She, Kun; Huang, Ru-fen; Ouyang, Zhong

    2016-11-01

    In this paper, we present two definitions of the orthogonality and orthogonal rate of an encryption operator, and we provide a verification process for the former. Then, four improved ternary quantum encryption schemes are constructed. Compared with Scheme 1 (see Section 2.3), these four schemes demonstrate significant improvements in term of calculation and execution efficiency. Especially, under the premise of the orthogonal rate ɛ as secure parameter, Scheme 3 (see Section 4.1) shows the highest level of security among them. Through custom interpolation functions, the ternary secret key source, which is composed of the digits 0, 1 and 2, is constructed. Finally, we discuss the security of both the ternary encryption operator and the secret key source, and both of them show a high level of security and high performance in execution efficiency.

  13. Core-shell-structured magnetic ternary nanocubes.

    PubMed

    Wang, Lingyan; Wang, Xin; Luo, Jin; Wanjala, Bridgid N; Wang, Chongmin; Chernova, Natasha A; Engelhard, Mark H; Liu, Yao; Bae, In-Tae; Zhong, Chuan-Jian

    2010-12-22

    We report a novel core-shell-structured ternary nanocube of MnZn ferrite synthesized by controlling the reaction temperature and composition in the absence of conventionally used reducing agents. The highly monodispersed core-shell structure consists of an Fe(3)O(4) core and an MnZn Ferrite shell. The observation of a Moiré pattern indicates that the core and the shell are two highly crystalline materials with slightly different lattice constants that are rotated relative to each other by a small angle. The ternary core-shell nanocubes display magnetic properties regulated by a combination of the core-shell composition and exhibit an increased coercivity and field-cooled/zero-field-cooled characteristics drastically different from those of regular MnZn ferrite nanoparticles. The ability to engineer the spatial nanostructures of ternary magnetic nanoparticles in terms of shape and composition offers atomic-level versatility in fine-tuning the nanoscale magnetic properties.

  14. Organic ternary solar cells: a review.

    PubMed

    Ameri, Tayebeh; Khoram, Parisa; Min, Jie; Brabec, Christoph J

    2013-08-21

    Recently, researchers have paid a great deal of attention to the research and development of organic solar cells, leading to a breakthrough of over 10% power conversion efficiency. Though impressive, further development is required to ensure a bright industrial future for organic photovoltaics. Relatively narrow spectral overlap of organic polymer absorption bands within the solar spectrum is one of the major limitations of organic solar cells. Among different strategies that are in progress to tackle this restriction, the novel concept of ternary organic solar cells is a promising candidate to extend the absorption spectra of large bandgap polymers to the near IR region and to enhance light harvesting in single bulk-heterojunction solar cells. In this contribution, we review the recent developments in organic ternary solar cell research based on various types of sensitizers. In addition, the aspects of miscibility, morphology complexity, charge transfer dynamics as well as carrier transport in ternary organic composites are addressed.

  15. Studies on some ternary oxyborates of the Na 2O- Me2O 3-B 2O 3 ( Me=rare earth or aluminum) systems: Synthesis, structure and crystal growth

    NASA Astrophysics Data System (ADS)

    Peshev, P.; Pechev, S.; Nikolov, V.; Gravereau, P.; Chaminade, J.-P.; Binev, D.; Ivanova, D.

    2006-09-01

    Sodium rare-earth oxyborates Na 2RE2O(BO 3) 2 ( RE=Y, Nd, Er) were prepared for the first time in the present study. They were found to be isostructural with phases of the same composition containing Sm, Eu or Gd and reported by Corbel et al. [J. Solid State Chem.144 (1999) 35-44]. It was shown that the yttrium and erbium compounds could be synthesized at 900-1000 °C by a solid-state reaction between oxides in an equimolecular ratio. With both oxyborates melting led to decomposition into a mixture of Y(Er)BO 3, Y 2(Er 2)O 3 and Na 2B 4O 7. Just the opposite was observed during thermal treatment of the oxide mixture containing Nd 2O 3, from which a practically pure phase of Na 2Nd 2O(BO 3) 2 was only obtained after melting. The attempts to synthesize the oxyborate Na 2La 2O(BO 3) 2 showed it to be unstable, this leading to the formation of a mixture containing, in addition to Na 2La 2O(BO 3) 2, also other already known stable phases of the system Na 2O-La 2O 3-B 2O 3 along with an unknown ternary oxide phase. This phase was found to represent a new oxyborate of sodium and lanthanum with the formula Na 3La 9O 3(BO 3) 8, whose single crystals were obtained by flux growth. It was established that synthesis of a polycrystalline material with the same composition was also possible using solid-state interaction between Na 2CO 3, La 2O 3 and H 3BO 3 at 1000-1100 °C. X-ray diffraction experiments on single crystals were used to solve the structure of Na 3La 9O 3(BO 3) 8. The unit cell was found to be hexagonal, space group P62 m (No. 189) with Z=1. The compound can be regarded as the forefather of a second group of oxyborates representing a new family of isostructural compounds, Na 3RE9O 3(BO 3) 8. Such phases were obtained with RE=Nd, Sm and Eu whereas with RE=Y and Gd, the synthesis experiments failed. The concentration and temperature regions of crystallization of the double-oxyborate Na 2Al 2O(BO 3) 2 in the ternary system Na 2O-Al 2O 3-B 2O 3 were determined. This

  16. Studies on some ternary oxyborates of the Na{sub 2}O-Me{sub 2}O{sub 3}-B{sub 2}O{sub 3} (Me=rare earth or aluminum) systems: Synthesis, structure and crystal growth

    SciTech Connect

    Peshev, P. . E-mail: ppeshev@svr.igic.bas.bg; Pechev, S.; Nikolov, V.; Gravereau, P.; Chaminade, J.-P.; Binev, D.; Ivanova, D.

    2006-09-15

    Sodium rare-earth oxyborates Na{sub 2}RE{sub 2}O(BO{sub 3}){sub 2} (RE=Y, Nd, Er) were prepared for the first time in the present study. They were found to be isostructural with phases of the same composition containing Sm, Eu or Gd and reported by Corbel et al. [J. Solid State Chem.144 (1999) 35-44]. It was shown that the yttrium and erbium compounds could be synthesized at 900-1000deg. C by a solid-state reaction between oxides in an equimolecular ratio. With both oxyborates melting led to decomposition into a mixture of Y(Er)BO{sub 3}, Y{sub 2}(Er{sub 2})O{sub 3} and Na{sub 2}B{sub 4}O{sub 7}. Just the opposite was observed during thermal treatment of the oxide mixture containing Nd{sub 2}O{sub 3}, from which a practically pure phase of Na{sub 2}Nd{sub 2}O(BO{sub 3}){sub 2} was only obtained after melting. The attempts to synthesize the oxyborate Na{sub 2}La{sub 2}O(BO{sub 3}){sub 2} showed it to be unstable, this leading to the formation of a mixture containing, in addition to Na{sub 2}La{sub 2}O(BO{sub 3}){sub 2}, also other already known stable phases of the system Na{sub 2}O-La{sub 2}O{sub 3}-B{sub 2}O{sub 3} along with an unknown ternary oxide phase. This phase was found to represent a new oxyborate of sodium and lanthanum with the formula Na{sub 3}La{sub 9}O{sub 3}(BO{sub 3}){sub 8}, whose single crystals were obtained by flux growth. It was established that synthesis of a polycrystalline material with the same composition was also possible using solid-state interaction between Na{sub 2}CO{sub 3}, La{sub 2}O{sub 3} and H{sub 3}BO{sub 3} at 1000-1100 deg. C. X-ray diffraction experiments on single crystals were used to solve the structure of Na{sub 3}La{sub 9}O{sub 3}(BO{sub 3}){sub 8}. The unit cell was found to be hexagonal, space group P62m (No. 189) with Z=1. The compound can be regarded as the forefather of a second group of oxyborates representing a new family of isostructural compounds, Na{sub 3}RE{sub 9}O{sub 3}(BO{sub 3}){sub 8}. Such phases were

  17. Ternary fission of nuclei into comparable fragments

    SciTech Connect

    Karpeshin, F. F.

    2015-07-15

    The problem of nuclear fission into three comparable fragments is considered. A mechanism of true ternary fission is proposed. In contrast to sequential fission, where the three fragments arise upon two sequential events of binary fission, the mechanism in question relies on a scenario that originally involves fission into three fragments. This mechanism is driven by a hexadecapole deformation of the fissioning nucleus, in contrast to binary fission associated with quadrupole vibrations of the nuclear surface. The fragment-mass ratios are estimated. The dynamics of formation of collinear fragments and their subsequent motion in opposite directions is traced. The calculated probability of true ternary fission complies with observed values.

  18. Ternary carbon composite films for supercapacitor applications

    NASA Astrophysics Data System (ADS)

    Tran, Minh-Hai; Jeong, Hae Kyung

    2017-09-01

    A simple, binder-free, method of making supercapacitor electrodes is introduced, based on modification of activated carbon with graphite oxide and carbon nanotubes. The three carbon precursors of different morphologies support each other to provide outstanding electrochemical performance, such as high capacitance and high energy density. The ternary carbon composite shows six times higher specific capacitance compared to that of activated carbon itself with high retention. The excellent electrochemical properties of the ternary composite attribute to the high surface area of 1933 m2 g-1 and low equivalent series resistance of 2 Ω, demonstrating that it improve the electrochemical performance for supercapacitor applications.

  19. Single Crystal Fibers of Yttria-Stabilized Cubic Zirconia with Ternary Oxide Additions

    NASA Technical Reports Server (NTRS)

    Ritzert, F. J.; Yun, H. M.; Miner, R. V.

    1997-01-01

    Single crystal fibers of yttria (Y2O3)-stabilized cubic zirconia, (ZrO2) with ternary oxide additions were grown using the laser float zone fiber processing technique. Ternary additions to the ZrO2-Y2O3 binary system were studied aimed at increasing strength while maintaining the high coefficient of thermal expansion of the binary system. Statistical methods aided in identifying the most promising ternary oxide candidate (Ta2O5, Sc2O3, and HfO2) and optimum composition. The yttria, range investigated was 14 to 24 mol % and the ternary oxide component ranged from 1 to 5 mol %. Hafnium oxide was the most promising ternary oxide component based on 816 C tensile strength results and ease of fabrication. The optimum composition for development was 81 ZrO2-14 Y203-5 HfO2 based upon the same elevated temperature strength tests. Preliminary results indicate process improvements could improve the fiber performance. We also investigated the effect of crystal orientation on strength.

  20. REMOVAL OF ADDED NITRATE IN THE SINGLE, BINARY, AND TERNARY SYSTEMS OF COTTON BURR COMPOST, ZEROVALENT IRON, AND SEDIMENT: IMPLICATIONS FOR GROUNDWATER NITRATE REMEDIATION USING PERMEABLE REACTIVE BARRIERS

    EPA Science Inventory

    Recent research has shown that carbonaceous solid materials and zerovalent iron (Fe0) may potentially be used as media in permeable reactive barriers (PRBs) to degrade groundwater nitrate via heterotrophic denitrification in the solid carbon system, and via abiotic reduction and ...

  1. REMOVAL OF ADDED NITRATE IN THE SINGLE, BINARY, AND TERNARY SYSTEMS OF COTTON BURR COMPOST, ZEROVALENT IRON, AND SEDIMENT: IMPLICATIONS FOR GROUNDWATER NITRATE REMEDIATION USING PERMEABLE REACTIVE BARRIERS

    EPA Science Inventory

    Recent research has shown that carbonaceous solid materials and zerovalent iron (Fe0) may potentially be used as media in permeable reactive barriers (PRBs) to degrade groundwater nitrate via heterotrophic denitrification in the solid carbon system, and via abiotic reduction and ...

  2. Vapor-liquid equilibria for the ternary system N2 + CO2 + n-C4H10 at 250 and 270 K1

    NASA Astrophysics Data System (ADS)

    Brown, T. S.; Sloan, E. D.; Kidnay, A. J.

    1994-11-01

    The system studied was nitrogen + carbon dioxide + n-butane at 250 and 270 K and at pressures from 1.5 to 14 MPa. The Peng-Robinson equation was used to model the results, since it is the most widely accepted equation of state in the gas processing industry. In general, the predictions are most accurate at low and moderate pressures and poorest at high pressures, especially near the critical region.

  3. Preparation and In Vitro/In Vivo Characterization of Porous Sublingual Tablets Containing Ternary Kneaded Solid System of Vinpocetine with β-Cyclodextrin and Hydroxy Acid

    PubMed Central

    Aburahma, Mona H.; El-Laithy, Hanan M.; Hamza, Yassin El-Said

    2010-01-01

    The demand for sublingual tablets has been growing during the previous decades especially for drugs with extensive hepatic first-pass metabolism. Vinpocetine, a widely used neurotropic agent, has low oral bioavailability due to its poor aqueous solubility and marked first-pass metabolism. Accordingly, the aim of this work was to develop tablets for the sublingual delivery of vinpocetine. Initially, the feasibility of improving vinpocetine’s poor aqueous solubility by preparing kneaded solid systems of the drug with β-Cyclodextrin and hydroxy acids (citric acid and tartaric acid) was assessed. The solid system with improved solubility and dissolution properties was incorporated into porous tablets that rapidly disintegrate permitting fast release of vinpocetine into the sublingual cavity. The pores were induced into these tablets by directly compressing the tablets’ excipients with a sublimable material, either camphor or menthol, which was eventually sublimated leaving pores. The obtained results demonstrated that the tablets prepared using camphor attained sufficient mechanical strength for practical use together with rapid disintegration and dissolution. In vivo absorption study performed in rabbits indicated that the sublingual administration of the proposed porous tablets containing vinpocetine solid system with β-Cyclodextrin and tartaric acid could be useful for therapeutic application. PMID:21179352

  4. Plutonium microstructures. Part 2. Binary and ternary alloys

    SciTech Connect

    Cramer, E.M.; Bergin, J.B.

    1983-12-01

    This report is the second of three parts that exhibit illustrations of inclusions in plutonium metal from inherent and tramp impurities, of intermetallic and nonmetallic constituents from alloy additions, and of the effects of thermal and mechanical treatments. This part includes illustrations of the microstructures in binary cast alloys and a few selected ternary alloys that result from measured additions of diluent elements, and of the microconstituents that are characteristic of phase fields in extended alloy systems. Microhardness data are given and the etchant used in the preparation of each sample is described.

  5. Self-consistent determination of plasmonic resonances in ternary nanocomposites

    NASA Astrophysics Data System (ADS)

    Garcia, Hernando; Trice, Justin; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna

    2007-01-01

    We have developed a self-consistent technique to predict the behavior of plasmon resonances in multicomponent systems as a function of wavelength. This approach, based on the tight lower bounds of the Bergman-Milton formulation, is able to predict optical data, including the positions, shifts, and shapes of plasmonic peaks in ternary nanocomposites without using any fitting parameters. We obtained excellent predictions of the experimental data for mixtures of Ag:Cu:SiO2 and alloys of Au-Cu:SiO2 and Ag-Au:H2O . The essential physics of plasmonic behavior is captured by this approach.

  6. Optical microinterferometry method for evaluation of phase state and diffusion in ternary systems: phase separation in cellulose/N-Methylmorpholine-N-oxide/non-solvent mixtures

    NASA Astrophysics Data System (ADS)

    Makarova, V. V.; Antonov, S. V.; Anokhina, T. A.; Volkov, V. V.

    2016-09-01

    Microinterferometry technique was used to evaluate the phase state and diffusion of cellulose solutions N-Methylmorpholine-N-oxide upon contact with non-solvents (water and aqueous solutions of isopropyl alcohol). The method was helpful in visualization of the structure of the forming cellulose film in connection with the diffusivity of the components of the systems. The interdiffusion coefficient were determined. Isopropyl alcohol addition to water slows down the diffusion of the coagulant into the cellulose solution thus delaying cellulose precipitation. Increase of temperature leads to formation of less dense cellulose film morphology with large vacuoles.

  7. Solubility and release modulation effect of sulfamerazine ternary complexes with cyclodextrins and meglumine.

    PubMed

    Aloisio, Carolina; de Oliveira, Anselmo Gomes; Longhi, Marcela

    2014-11-01

    This study investigated the effect on solubility and release of ternary complexes of sulfamerazine (SMR) with β-(βCD), methyl-(MβCD) and hydroxypropyl-β-cyclodextrin (HPβCD) using meglumine (MEG) as the ternary component. The combination of MEG with MβCD resulted the best approach, with an increased effect (29-fold) of the aqueous solubility of SMR. The mode of inclusion was supported by 2D NMR, which indicated that real ternary complexes were formed between SMR, MEG and MβCD or HPβCD. Solid state analysis was performed using Fourier-transform infrared spectroscopy (FT IR), differential scanning calorimetry (DSC) and powder X-ray diffraction (XRD), which demonstrated that different interactions occurred among SMR, MEG and MβCD or HPβCD in the ternary lyophilized systems. The ternary complexes with βCD and MβCD produced an additional retention effect on the release of SMR compared to the corresponding binary complexes, implying that they were clearly superior in terms of solubility and release modulation. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Investigation of itraconazole ternary amorphous solid dispersions based on povidone and Carbopol.

    PubMed

    Meng, Fan; Meckel, Jordan; Zhang, Feng

    2017-08-30

    We investigate a ternary system that consists of itraconazole (ITZ) and two polymers: povidone K12 and Carbopol 907. The interactions between these two polymers and their effects on the properties of ternary ITZ amorphous solid dispersions (ASDs) are studied. These two polymers can form a water-insoluble complex in acidic aqueous media. The critical pH is determined to be 4.17. The weight percentage of Carbopol 907 in the interpolymer complex range from 59 to 70%, depending on the initial ratios between these two polymers in the starting solutions. This complexation is driven by a negative enthalpy change from the H-bonding between the two polymers and a positive entropy change from the freed water molecules. Due to the slow precipitation of the interpolymer complex in aqueous media, the attempt to prepare ternary ASD using solvent-controlled coprecipitation is not successful. Melt extrusion is identified to be the only viable method to prepare this ternary ASD. We find that interpolymer complex-based ASDs are physically less stable and demonstrate the poorest drug-release properties when compared to individual polymer-based binary ASDs. This study illustrates that the too strong interaction between polymers in ternary ASDs is detrimental to their performance. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Does Science Also Prefer a Ternary Pattern?

    ERIC Educational Resources Information Center

    Pogliani, L.; Klein, D. J.; Balaban, A. T.

    2006-01-01

    Through the importance of the number three in our culture and the strange preference for a ternary pattern of our nature one can perceive how and why number theory degraded to numerology. The strong preference of our minds for simple patterns can be read as the key to understanding not only the development of numerology, but also why scientists…

  10. Ternary rare earth-lanthanide sulfides

    DOEpatents

    Takeshita, Takuo; Gschneidner JR., Karl A.; Beaudry, Bernard J.

    1987-01-06

    A new ternary rare earth sulfur compound having the formula: where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

  11. Infrared Plasmonics with Conductive Ternary Nitrides.

    PubMed

    Metaxa, C; Kassavetis, S; Pierson, J F; Gall, D; Patsalas, P

    2017-03-29

    Conductive transition metal nitrides are emerging as promising alternative plasmonic materials that are refractory and CMOS-compatible. In this work, we show that ternary transition metal nitrides of the B1 structure and consisting of a combination of group-IVb transition metal, such as Ti or Zr, and group III (Sc, Y, Al) or group II (Mg, Ca) elements can have tunable plasmonic activity in the infrared range in contrast to Ta-based ternary nitrides, which exhibit plasmonic performance in the visible and UV ranges. We consider the intrinsic quality factors of surface plasmon polariton for the ternary nitrides, and we calculate the dispersion of surface plasmon polariton and the field enhancement at the vicinity of nitride/silica interfaces. Based on these calculations, it is shown that among these nitrides the most promising are TixSc1-xN and TixMg1-xN. In particular, TixSc1-xN can have plasmonic activity in the usual telecom bands at 850, 1300, and 1550 nm. Still, these nitrides exhibit substantial electronic losses mostly due to fine crystalline grains that deteriorate the plasmonic field enhancement. This unequivocally calls for improved growth processes that would enable the fabrication of such ternary nitrides of high crystallinity.

  12. TERNARY ALLOYS OF URANIUM, COLUMBIUM, AND ZIRCONIUM

    DOEpatents

    Foote, F.G.

    1960-08-01

    Ternary alloys of uranium are described which are useful as neutron- reflecting materials in a fast neutron reactor. They are especially resistant to corrosion caused by oxidative processes of gascous or aqueous origin and comprise uranium as the predominant metal with zirconiunn and niobium wherein the total content of the minor alloying elements is between 2 and 8% by weight.

  13. Ternary Dy-Er-Al magnetic refrigerants

    DOEpatents

    Gschneidner, K.A. Jr.; Takeya, Hiroyuki

    1995-07-25

    A ternary magnetic refrigerant material comprising (Dy{sub 1{minus}x}Er{sub x})Al{sub 2} for a magnetic refrigerator using the Joule-Brayton thermodynamic cycle spanning a temperature range from about 60K to about 10K, which can be adjusted by changing the Dy to Er ratio of the refrigerant. 29 figs.

  14. Ternary Dy-Er-Al magnetic refrigerants

    DOEpatents

    Gschneidner, Jr., Karl A.; Takeya, Hiroyuki

    1995-07-25

    A ternary magnetic refrigerant material comprising (Dy.sub.1-x Er.sub.x)Al.sub.2 for a magnetic refrigerator using the Joule-Brayton thermodynamic cycle spanning a temperature range from about 60K to about 10K, which can be adjusted by changing the Dy to Er ratio of the refrigerant.

  15. Pharmacokinetics of a paclitaxel-loaded low molecular weight heparin-all-trans-retinoid acid conjugate ternary nanoparticulate drug delivery system.

    PubMed

    Hou, Lin; Yao, Jing; Zhou, Jianping; Zhang, Qiang

    2012-07-01

    Amphiphilic low molecular weight heparin-all-trans-retinoid acid (LHR) conjugate, as a drug carrier for cancer therapy, was found to have markedly low toxicity and to form self-assembled nanoparticles for simultaneous delivery of paclitaxel (PTX) and all-trans-retinoid acid (ATRA) in our previous study. In the present study, PTX-loaded LHR nanoparticles were prepared and demonstrated a spherical shape with particle size of 108.9 nm. Cellular uptake analysis suggested rapid internalization and nuclear transport of LHR nanoparticles. In order to investigate the dynamic behaviors and targeting ability of LHR nanoparticles on tumor-bearing mice, near-infrared fluorescent (NIFR) dye DiR was encapsulated into the nanoparticles for ex vivo optical imaging. The results indicated that LHR nanoparticles could enhance the targeting and residence time in tumor site. Furthermore, in vivo biodistribution study also showed that the area under the plasma concentration time curve (AUC (0→inf)) values of PTX and ATRA for PTX-loaded LHR nanoparticles in tumor were 1.56 and 1.62-fold higher than those for PTX plus ATRA solution. Finally, PTX-loaded LHR nanoparticles demonstrated greater tumor growth inhibition effect in vivo without unexpected side effects, compared to PTX solution and PTX plus ATRA solution. These results suggest that PTX-loaded LHR nanoparticles can be considered as promising targeted delivery system for combination cancer chemotherapy to improve therapeutic efficacy and minimize adverse effects. Copyright © 2012 Elsevier Ltd. All rights reserved.

  16. Design of a novel quantum reversible ternary up-counter

    NASA Astrophysics Data System (ADS)

    Houshmand, Pouran; Haghparast, Majid

    2015-08-01

    Reversible logic has been recently considered as an interesting and important issue in designing combinational and sequential circuits. The combination of reversible logic and multi-valued logic can improve power dissipation, time and space utilization rate of designed circuits. Only few works have been reported about sequential reversible circuits and almost there are no paper exhibited about quantum ternary reversible counter. In this paper, first we designed 2-qutrit and 3-qutrit quantum reversible ternary up-counters using quantum ternary reversible T-flip-flop and quantum reversible ternary gates. Then we proposed generalized quantum reversible ternary n-qutrit up-counter. We also introduced a new approach for designing any type of n-qutrit ternary and reversible counter. According to the results, we can conclude that applying second approach quantum reversible ternary up-counter is better than the others.

  17. Amorphous stabilization and dissolution enhancement of amorphous ternary solid dispersions: combination of polymers showing drug-polymer interaction for synergistic effects.

    PubMed

    Prasad, Dev; Chauhan, Harsh; Atef, Eman

    2014-11-01

    The purpose of this study was to understand the combined effect of two polymers showing drug-polymer interactions on amorphous stabilization and dissolution enhancement of indomethacin (IND) in amorphous ternary solid dispersions. The mechanism responsible for the enhanced stability and dissolution of IND in amorphous ternary systems was studied by exploring the miscibility and intermolecular interactions between IND and polymers through thermal and spectroscopic analysis. Eudragit E100 and PVP K90 at low concentrations (2.5%-40%, w/w) were used to prepare amorphous binary and ternary solid dispersions by solvent evaporation. Stability results showed that amorphous ternary solid dispersions have better stability compared with amorphous binary solid dispersions. The dissolution of IND from the ternary dispersion was substantially higher than the binary dispersions as well as amorphous drug. Melting point depression of physical mixtures reveals that the drug was miscible in both the polymers; however, greater miscibility was observed in ternary physical mixtures. The IR analysis confirmed intermolecular interactions between IND and individual polymers. These interactions were found to be intact in ternary systems. These results suggest that the combination of two polymers showing drug-polymer interaction offers synergistic enhancement in amorphous stability and dissolution in ternary solid dispersions.

  18. Ternary particles with extreme N/Z ratios from neutron-induced fission

    SciTech Connect

    Koster, U.; Faust, H.; Friedrichs, T.; Oberstedt, S.; Fioni, G.; Grob, M.; Ahmad, I. J.; Devlin, M.; Heinz, A.; Kondev, F. G.; Lauritsen, T.; Sarantites, D. G.; Siem, S.; Sobotka, L. G.; Sonzogni, A.

    2000-05-16

    The existing ternary fission models can well reproduce the yields of the most abundant light charged particles. However, these models tend to significantly overestimate the yields of ternary particles with an extreme N/Z ratio: {sup 3}He, {sup 11}Li, {sup 14}Be, etc. The experimental yields of these isotopes were investigated with the recoil separator LOHENGRIN down to a level of 10{sup {minus}10} per fission. Results from the fissioning systems {sup 233}U (n{sub th}, f), {sup 235}U(n{sub th},f), {sup 239}Pu(n{sub th},f) {sup 241}Pu(n{sub th},f) and {sup 245}Cm(n{sub th},f) are presented and the implications for the ternary fission models are discussed.

  19. On the importance of unprecedented lone pair-salt bridge interactions in Cu(II)-malonate-2-amino-5-chloropyridine-perchlorate ternary system.

    PubMed

    Mitra, Monojit; Manna, Prankrishna; Das, Amrita; Seth, Saikat Kumar; Helliwell, Madeleine; Bauzá, Antonio; Choudhury, Somnath Ray; Frontera, Antonio; Mukhopadhyay, Subrata

    2013-07-18

    A Cu(II)-malonate complex with formula {(C5H6N2Cl)12[Cu(1)(C3H2O4)2][Cu(2)(C3H2O4)2(H2O)2][Cu(4)(C3H2O4)2][Cu(3)(C3H2O4)2(H2O)2](ClO4)4}n (1) [C5H6N2Cl = protonated 2-amino-5-chloropyridine, C3H4O4 = malonic acid, ClO4(-) = perchlorate] has been synthesized from purely aqueous media simple by mixing the reactants in their stoichiometric ratio, and its crystal structure has been determined by single-crystal X-ray diffraction. In 1, copper(II) malonate units form infinite 1D polymeric chains, which are interlinked by hydrogen bonds to generate 2D sheets. These 2D sheets are joined side by side primarily by various hydrogen bonds to form a 3D structure. A multitude of salt bridges are formed in this structure, connecting the protonated 2-amino-5-chloropyridines and the malonate ligands of the polymeric polyanion. Examining this characteristic of the solid-state architecture, we noticed several salt-bridge (sb)···π interactions and an unexplored interaction between the lone pair (lp) of one malonate oxygen atom and a planar salt bridge. The combination of this interaction with various other weak intermolecular forces results in a remarkably extended supramolecular network combining a wide variety of interactions involving π-systems (Cl···π, π···π) and salt bridges (sb···π and lp···sb). We describe the energetic and geometric features of this lone pair-salt-bridge interaction and explore its impact on the resultant supramolecular organization using theoretical DFT-D3 calculations.

  20. Stability of ternary oxygen compounds of molybdenum in liquid sodium

    NASA Astrophysics Data System (ADS)

    Gnanasekaran, T.; Mahendran, K. H.; Periaswami, G.; Mathews, C. K.; Borgstedt, H. U.

    1987-10-01

    The ternary system Na-Mo-O is of interest in sodium loops such as in the heat transport systems of LMFBRs. This paper reports the results of our investigations with a view to identifying the phases which could co-exist with liquid sodium and molybdenum. The limited number of studies reported in literature are first critically reviewed and shown to be inconsistent. Experiments involving in-sodium equilibrations, solid state reactions and pseudo-isopiestic equilibrations were carried out to understand the phase relations in the Na-Mo-O system. In addition to the above, oxygen potentials were measured in sodium to which molybdates of sodium were added, using a galvanic cell. From these results it could be deduced that Na 2O(s) coexists with molybdenum and liquid sodium metal up to 681.1 K. Above this temperature the ternary oxygen compound, Na 4MoO 5(s) appears as the coexisting phase with the two metals. From the oxygen potential data, the Gibbs energy of formation of Na 4MoO 5(s) could be deduced.

  1. Multifunctional Graphene/DNA-Based Platform for the Construction of Enzyme-Free Ternary Logic Gates.

    PubMed

    Zhou, Chunyang; Liu, Dali; Wu, Changtong; Dong, Shaojun; Wang, Erkang

    2016-11-09

    In this work, we have successfully realized multivalued logic circuits including ternary INHIBIT and ternary OR logic gates in an enzyme-free condition by integration of graphene oxide and DNA for the first time. Compared to the binary logic gate with two states of "0" and "1", the multivalued logic gate contains three different states of "0", "1", and "2", which can increase the information content in a system and further improve the ability of information processing. Such types of multivalued logic operations provide a wider field of vision toward DNA-based algebra logical operations to make applications more accurate with complexity reduction and accelerate the development of advanced logic gates.

  2. Thermodynamic Approach to Phase Coexistence in Ternary Phospholipid-Cholesterol Mixtures

    NASA Astrophysics Data System (ADS)

    Wolff, J.; Marques, C. M.; Thalmann, F.

    2011-03-01

    We introduce a simple and predictive model for determining the phase stability of ternary phospholipid-cholesterol mixtures. Assuming that competition between the liquid and gel order of the phospholipids is the main driving force behind lipid segregation, we derive a Gibbs free energy of mixing, based on the thermodynamic properties of the lipids main transition. A numerical approach was devised that enables the fast and efficient determination of the ternary diagrams associated with our Gibbs free energy. The computed phase coexistence diagram of DOPC/DPPC/cholesterol reproduces well-known features for this system at 10°C, as well as its evolution with temperature.

  3. Ternary nanoparticles composed of cationic solid lipid nanoparticles, protamine, and DNA for gene delivery

    PubMed Central

    He, Sai-Nan; Li, Yun-Long; Yan, Jing-Jing; Zhang, Wei; Du, Yong-Zhong; Yu, He-Yong; Hu, Fu-Qiang; Yuan, Hong

    2013-01-01

    Background The objective of this research was to design an effective gene delivery system composed of cationic solid lipid nanoparticles (SLNs), protamine, and Deoxyribonucleic acid DNA. Methods Cationic SLNs were prepared using an aqueous solvent diffusion method with octadecylamine as the cationic lipid material. First, protamine was combined with DNA to form binary protamine/DNA nanoparticles, and the ternary nanoparticle gene delivery system was then obtained by combining binary protamine/DNA nanoparticles with cationic SLNs. The size, zeta potential, and ability of the binary and ternary nanoparticles to compact and protect DNA were characterized. The effect of octadecylamine content in SLNs and the SLNS/DNA ratios on transfection efficiency, cellular uptake and cytotoxicity of the ternary nanoparticles were also assessed using HEK293 cells. Results When the weight ratio of protamine to DNA reached 1.5:1, the plasmid DNA could be effectively compacted and protected. The average hydrodynamic diameter of the ternary nanoparticles when combined with protamine increased from 188.50 ± 0.26 nm to 259.33 ± 3.44 nm, and the zeta potential increased from 25.50 ± 3.30 mV to 33.40 ± 2.80 mV when the weight ratio of SLNs to DNA increased from 16/3 to 80/3. The ternary nanoparticles showed high gene transfection efficiency compared with Lipofectamine™ 2000/DNA nanoparticles. Several factors that might affect gene transfection efficiency, such as content and composition of SLNs, post-transfection time, and serum were examined. The ternary nanoparticles composed of SLNs with 15 wt% octadecylamine (50/3 weight ratio of SLNs to DNA) showed the best transfection efficiency (26.13% ± 5.22%) in the presence of serum. It was also found that cellular uptake of the ternary nanoparticles was better than that of the SLN/DNA and binary protamine/DNA nanoparticle systems, and DNA could be transported to the nucleus. Conclusion SLNs enhanced entry of binary protamine

  4. Influence of heat treatment in air, and subsequent hydrothermal treatment in the liquid phase or water treatment in the liquid phase on a mixed Langmuir-Blodgett film of merocyanine dye-arachidic acid- n-octadecane ternary system

    NASA Astrophysics Data System (ADS)

    Hirano, Yoshiaki; Maio, Ari; Fukuda, Akira; Kitahama, Yasutaka; Ozaki, Yukihiro

    2010-07-01

    We have investigated the influence of heat treatment in air (HT), and subsequent hydrothermal treatment in the liquid phase (HTTL) or water treatment in the liquid phase (WTL) on the H-aggregate of mixed Langmuir-Blodgett (LB) films of merocyanine dye (MS 18)-arachidic acid (C 20)- n-octadecane (AL 18) ternary system by means of polarized visible and IR absorption spectroscopy. The MS 18 monomer is obtained from the first application of HT to the H-aggregate, and the monomer rapidly changes into the J-aggregate upon subsequent HTTL. This demonstrates variation via the monomer for reorganization of the MS 18 chromophore from H- to J-aggregates induced by directly performing HTTL to the H-aggregate in our previous study. While the number of gauche conformers in the MS 18 hydrocarbon chain increases by initial HT, the hydrocarbon chain adopts an all- trans conformation after subsequent HTTL. In addition, the degree of orientation of the MS 18 hydrocarbon chain after HT also approximates to that before HT. The C 20 hexagonal packing after HT turns to orthorhombic one with subsequent HTTL, and the orientation disorder of C 20 hydrocarbon chain caused by HT is renovated as well. The structural changes in the MS 18 and C 20 hydrocarbon chains resulting from latter HTTL arise from the hydrophobic effect in the presence of warm water. Moreover, it has been verified that the AL 18 evaporation strongly relates to the dissociation of H-aggregate, but is not responsible for the variation from the monomer to J-aggregate. Comparing the results obtained upon application of HT/HTTL and HT/WTL, it has been concluded that both large relative permittivity and thermal energy inherent in warm water are quite essential in inducing the rapid reconstitution of MS 18 aggregation state from the monomer to J-aggregate. These also promote the restoration of conformation and orientation changes in the MS 18 hydrocarbon chain, and the modification of subcell packing and orientation disorder in

  5. Isothermal sections of the quasi-ternary systems Ag2S(Se)-Ga2S(Se)3-In2S(Se)3 at 820 K and the physical properties of the ternary phases Ga5.5In4.5S15, Ga6In4Se15 and Ga5.5In4.5S15:Er3+, Ga6In4Se15:Er3+

    NASA Astrophysics Data System (ADS)

    Ivashchenko, I. A.; Danyliuk, I. V.; Gulay, L. D.; Halyan, V. V.; Olekseyuk, I. D.

    2016-05-01

    Isothermal sections of the quasi-ternary systems Ag2S(Se)-Ga2S(Se)3-In2S(Se)3 at 820 K were compared. Along the 50 mol% Ag2S(Se), both systems feature continuous solid solutions with the chalcopyrite structure. Along the 17 mol% Ag2S(Se), the interactions at the AgIn5S(Se)8-"AgGa5S(Se)8" sections are different. In the Ag2S-Ga2S3-In2S3 system the existence of the layered phase AgGaxIn5-xS8, 2.25≤x≤2.85, was confirmed (S.G. P63mc). The Ag2Se-Ga2Se3-In2Se3 system features the formation of solid solution (up to 53 mol% Ga2Se3) based on AgIn5Se8 (S.G. P-42m). Crystal structure, atomic coordinates were determined by powder diffraction method for samples from the homogeneity region of AgIn5Se8. Specific conductivities of the crystals Ga6In4Se15 (1.33·10-6 Ω-1 m-1), Ga5.94In3.96Er0.1Se15 (3.17·10-6 Ω-1 m-1), Ga5.5In4.5S15 (7.94·10-6 Ω-1 m-1), Ga5.46In4.47Er0.07S15 (1·10-9 Ω-1 m-1) were measured at room temperature. Optical absorption and photoconductivity spectra were recorded in the range 400-760 nm. The introduction of erbium leads to an increase in the absorption coefficient and to the appearance of absorption bands at 530, 660, 810, 980, 1530 nm.

  6. Reconstruction of images by the method of ternary correlation of photocountings

    SciTech Connect

    Vil`danov, R.R.; Ismatov, M.S.; Kadyrov, N.Z.; Yakubov, A.N.

    1995-11-01

    An optoelectronic system is developed for recording the ternary correlation function of the intensity of optical radiation detected in the photon-counting mode. The results of the study show the possibility of forming images of weakly fluorescing objects on the basis of complete information on the coherence function obtained. 4 refs., 4 figs.

  7. Construction of Lines of Constant Density and Constant Refractive Index for Ternary Liquid Mixtures.

    ERIC Educational Resources Information Center

    Tasic, Aleksandar Z.; Djordjevic, Bojan D.

    1983-01-01

    Demonstrates construction of density constant and refractive index constant lines in triangular coordinate system on basis of systematic experimental determinations of density and refractive index for both homogeneous (single-phase) ternary liquid mixtures (of known composition) and the corresponding binary compositions. Background information,…

  8. Bioreducible polyether-based pDNA ternary polyplexes: balancing particle stability and transfection efficiency.

    PubMed

    Lai, Tsz Chung; Kataoka, Kazunori; Kwon, Glen S

    2012-11-01

    Polyplex particles formed with plasmid DNA (pDNA) and Pluronic P85-block-poly{N-[N-(2-aminoethyl)-2-aminoethyl]aspartamide} (P85-b-P[Asp(DET)]) demonstrated highly effective transfection ability compared to PEG-based block cationomer, PEG-b-P[Asp(DET)]. Ternary polyplexes comprising PEG-b-P[Asp(DET)], poly(ethylene oxide)-b-poly(propylene oxide)-b-poly(ethylene oxide)-b-P[Asp(DET)] (P(EPE)-b-P[Asp(DET)]) used as an analog of P85-b-P[Asp(DET)], and pDNA were prepared in this work aiming at maintaining adequate transfection efficiency while solving the stability issues of the P85-b-P[Asp(DET)] polyplexes. Furthermore, a bioreducible P(EPE)-SS-P[Asp(DET)] possessing a redox potential-sensitive disulfide linkage between the P(EPE) polymer and the cationic block was used as a substitute for P(EPE)-b-P[Asp(DET)] during ternary complex formation to investigate whether the transfection ability of the ternary polyplex system could be enhanced by triggered release of P(EPE) polymers from the polyplexes. The ternary complexes showed significant improvement in terms of stability against salt-induced aggregation compared to binary complexes, although the gene delivery ability dropped with the amount of PEG-b-P[Asp(DET)] used for complexation. By manipulating the difference in redox potential between the extracellular and intracellular environments, the reducible ternary complexes achieved higher transfection compared to the non-reducible polyplexes; moreover, the reducible polyplexes exhibited comparable stability to the non-reducible ones. These results suggest that reducible ternary complexes could provide satisfactory transfection efficiency without comprising the colloidal stability of the particles.

  9. On the capacity of ternary Hebbian networks

    NASA Technical Reports Server (NTRS)

    Baram, Yoram

    1991-01-01

    Networks of ternary neurons storing random vectors over the set -1,0,1 by the so-called Hebbian rule are considered. It is shown that the maximal number of stored patterns that are equilibrium states of the network with probability tending to one as N tends to infinity is at least on the order of (N exp 2-1/alpha)/K, where N is the number of neurons, K is the number of nonzero elements in a pattern, and t = alpha x K, alpha between 1/2 and 1, is the threshold in the neuron function. While, for small K, this bound is similar to that obtained for fully connected binary networks, the number of interneural connections required in the ternary case is considerably smaller. Similar bounds, incorporating error probabilities, are shown to guarantee, in the same probabilistic sense, the correction of errors in the nonzero elements and in the location of these elements.

  10. Phase behavior of ternary polymer brushes

    DOE PAGES

    Simocko, Chester K.; Frischknecht, Amalie L.; Huber, Dale L.

    2016-01-07

    Ternary polymer brushes consisting of polystyrene, poly(methyl methacrylate), and poly(4-vinylpyridine) have been synthesized. These brushes laterally phase separate into several distinct phases and can be tailored by altering the relative polymer composition. Self-consistent field theory has been used to predict the phase diagram and model both the horizontal and vertical phase behavior of the polymer brushes. As a result, all phase behaviors observed experimentally correlate well with the theoretical model.

  11. Ternary rare earth-lanthanide sulfides

    DOEpatents

    Takeshita, Takuo; Gschneidner, Jr., Karl A.; Beaudry, Bernard J.

    1987-01-06

    A new ternary rare earth sulfur compound having the formula: La.sub.3-x M.sub.x S.sub.4 where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

  12. Finding new ternary transition metal selenides and sulphides

    NASA Astrophysics Data System (ADS)

    Narayan, Awadhesh; Bhutani, Ankita; Eckstein, James N.; Shoemaker, Daniel P.; Wagner, Lucas K.

    The transition metal oxides exhibit many interesting physical properties, and have been explored in detail over time. Recently, the transition metal chalchogenides including selenium and sulfur have been of interest because of their correlated electron properties, as seen in the iron based superconductors and the layered transition metal dichalchogenides. However, the chalchogenides are much less explored than the oxides, and there is an open question of whether there may be new materials heretofore undiscovered. We perform a systematic combined theoretical and experimental search over ternary phase diagrams that are empty in the Inorganic Crystal Structure Database containing cations, transition metals, and one of selenium or sulfur. In these 27 ternary systems, we use a probabilistic model to reduce the likelihood of false negative predictions, which results in a list of 24 candidate materials. We then conduct a variety of synthesis experiments to check the candidate materials for stability. While the prediction method did obtain compositions that are stable, none of the candidate materials formed in our experiments. We come to the conclusion that these phase diagrams are either truly empty or have unusual structures or synthesis requirements. This work was supported by the Center for Emergent Superconductivity, Department of Energy Frontier Research Center under Grant No. DEAC0298CH1088.

  13. A high-throughput search for new ternary superalloys

    NASA Astrophysics Data System (ADS)

    Nyshadham, Chandramouli; Hansen, Jacob; Oses, Corey; Curtarolo, Stefano; Hart, Gus

    In 2006 an unexpected new superalloy, Co3[Al,W], was discovered. This new alloy is cobalt-based, in contrast to conventional superalloys, which are nickel-based. Inspired by this new discovery, we performed first-principles calculations, searching through 2224 ternary metallic systems of the form A3[B0.5C0.5], where A = Ni/Co/Fe and [B, C] = all binary combinations of 40 different elements chosen from the periodic table. We found 175 new systems that are better than the Co3[Al, W] superalloy. 75 of these systems are brand new--they have never been reported in experimental literature. These 75 new potential superalloys are good candidates for further experiments. Our calculations are consistent with current experimental literature where data exists. Work supported under: ONR (MURI N00014-13-1-0635).

  14. Triethanolamine Stabilization of Methotrexate-β-Cyclodextrin Interactions in Ternary Complexes

    PubMed Central

    Barbosa, Jahamunna A. A.; Zoppi, Ariana; Quevedo, Mario A.; de Melo, Polyanne N.; de Medeiros, Arthur S. A.; Streck, Letícia; de Oliveira, Alice R.; Fernandes-Pedrosa, Matheus F.; Longhi, Marcela R.; da Silva-Júnior, Arnóbio A.

    2014-01-01

    The interaction of methotrexate (MTX) with beta-cyclodextrin (β-CD) in the presence of triethanolamine (TEA) was investigated with the aim to elucidate the mechanism whereby self-assembly cyclodextrin systems work in association with this third component. Solubility diagram studies showed synergic increment of the MTX solubility to be about thirty-fold. Experiments using 2D ROESY and molecular modeling studies revealed the inclusion of aromatic ring III of the drug into β-CD cavity, in which TEA contributes by intensifying MTX interaction with β-CD and stabilizes MTX:β-CD:TEA ternary complex by electrostatic interaction. The maintenance of these interactions in solid phase was also studied in ternary MTX:β-CD:TEA and comparisons were made with freeze dried binary MTX:β-CD and physical mixtures. FTIR studies evidenced that MTX–β-CD interaction remained in solid ternary complexes, which was also supported by thermal (differential scanning calorimetry (DSC), thermogravimetric analysis (TG)/first derivative of TG analysis (DTG) and C,N,H elementary analysis) and structural (X-ray diffraction analysis, (XRD)) studies, mainly regarding the increment of drug stability. The efficient in vitro drug dissolution studies successfully demonstrated the contribution of ternary complexes, which highlights the importance of this possible new raw material for further applications in drug delivery systems. PMID:25257529

  15. Bactericidal action of binary and ternary mixtures of carvacrol, thymol, and eugenol against Listeria innocua.

    PubMed

    García-García, Rebeca; López-Malo, Aurelio; Palou, Enrique

    2011-03-01

    The bactericidal effect of 3 natural agents (carvacrol, thymol, and eugenol) was evaluated as well as their binary and ternary mixtures on Listeria innocua inactivation in liquid model systems. Minimal bactericidal concentrations (MBC) of these agents were determined, and then binary and ternary mixtures were evaluated. Culture media were inoculated with L. innocua and incubated for 72 h at 35 °C. Turbidity of studied systems were determined every 24 h. The most effective individual antimicrobial agent was carvacrol, followed by thymol and then eugenol with MBCs of 150, 250, and 450 mg kg(-1), respectively. It was observed that the most effective binary mixture was 75 mg kg(-1) carvacrol and 62.5 mg kg(-1) thymol. Furthermore, the ternary mixture carvacrol-thymol-eugenol in concentrations of 75, 31.25, and 56.25 mg kg(-1), correspondingly, was the most effective for L. innocua inactivation. Several binary and ternary mixtures of these 3 natural antimicrobial agents worked adequately to inactivate L. innocua.

  16. Si-Ge-metal ternary phase diagram calculations

    NASA Technical Reports Server (NTRS)

    Fleurial, J. P.; Borshchevsky, A.

    1990-01-01

    Solution crystal growth and doping conditions of Si-Ge alloys used for high-temperature thermoelectric generation are determined here. Liquid-phase epitaxy (LPE) has been successfully employed recently to obtain single-crystalline homogeneous layers of Si-Ge solid solutions from a liquid metal solvent. Knowledge of Si-Ge-metallic solvent ternary phase diagrams is essential for further single-crystal growth development. Consequently, a thermodynamic equilibrium model was used to calculate the phase diagrams of the Si-Ge-M systems, including solid solubilities, where M is Al, Ga, In, Sn, Pb, Sb, or Bi. Good agreement between calculated liquidus and solidus data and experimental DTA and microprobe results was obtained. The results are used to compare the suitability of the different systems for crystal growth (by LPE-type process).

  17. Characteristics of CVD ternary refractory nitride diffusion barriers

    SciTech Connect

    Fleming, J.G.; Smith, P.M.; Custer, J.S.

    1996-11-01

    A range of different ternary refractory nitride compositions have been deposited by CVD (chemical vapor deposition) for the systems TiSiN, WBN, and WSiN. The precursors used are readily available. The structure, electrical, and barrier properties of the films produced by CVD are similar to those observed for films with similar compositions deposited by PVD (physical vapor deposition). The step coverage of the CVD processes developed is good and in some cases, exceptional. A combination of desirable resistivity, step coverage, and barrier properties exists simultaneously over a reasonable range of compositions for each system. Initial attempts to integrate WSiN films into a standard 0.5 micrometer CMOS process flow in place of a sputtered Ti/TiN stack were successful.

  18. Bioactivity of gel-glass powders in the CaO-SiO2 system: a comparison with ternary (CaO-P2O5-SiO2) and quaternary glasses (SiO2-CaO-P2O5-Na2O).

    PubMed

    Saravanapavan, Priya; Jones, Julian R; Pryce, Russell S; Hench, Larry L

    2003-07-01

    Bioactive glasses react chemically with body fluids in a manner that is compatible with the repair processes of the tissues. This results in the formation of an interfacial bond between the glasses and living tissue. Bioactive glasses also stimulate bone-cell proliferation. This behavior is dependent on the chemical composition as well as the surface texture of the glasses. It has been recently reported that gel-derived monolith specimens in the binary SiO2 - CaO are bioactive over a similar molar range of SiO2 content as the previously studied ternary CaO-P2O5-SiO2 system. In this report, the preparation and bioactivity of the binary gel-glass powder with 70 mol % SiO2 is discussed and its bioactivity is compared with the melt-derived 45S5 (quaternary) Bioglass and sol-gel-derived 58S (ternary) bioactive gel-glass compositions. Dissolution kinetic parameters K(1) and K(2) were also computed based on the silicon release for all glass powders. It was shown that the simple two-component SiO2-CaO gel-glass powder is bioactive with comparable dissolution rates as the clinically used melt-derived 45S5 Bioglass powder and extensively studied sol-gel-derived 58S gel-glass powder.

  19. Material properties of perovskites in the quasi-ternary system LaFeO3–LaCoO3–LaNiO3

    SciTech Connect

    Tietz, F.; Arul Raj, I.; Ma, Q.; Baumann, S.; Mahmoud, A.; Hermann, R. P.

    2016-02-02

    We present an overview on the variation of electrical conductivity, oxygen permeation, oxygen surface exchange and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO3–LaCoO3–LaNiO3. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni0.5Fe0.5)1-xCoxO3 and LaNi0.5- xFexCo0.5O3, are presented after the powders had been sintered at 1100 C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi0.5Fe0.5O3 for which 60% rhombohedral and 40% orthorhombic phase was found. Moreover, the maximum DC electrical conductivity value of the perovskites at 800 C was 1229 S cm-1 for the composition LaCoO3 and the minimum was 91 S cm-1 for the composition LaCo0.5Fe0.5O3. The oxygen permeation of samples with promising conductivities at 800 C was one order of magnitude lower than that of La0.6Sr0.4Co0.8Fe0.2O3 (LSCF). The highest value of 0.017 ml cm-2 min-1 at 950 C was obtained with LaNi0.5Co0.5O3. The coefficients of thermal expansion varied in the range of 13.2 x 10-6 K-1 and 21.9 x 10-6 K-1 for LaNi0.5Fe0.5O3 and LaCoO3, respectively. 57Fe M ssbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. Ultimately, the substitution had a great influence on the chemical properties of the materials.

  20. Material properties of perovskites in the quasi-ternary system LaFeO{sub 3}–LaCoO{sub 3}–LaNiO{sub 3}

    SciTech Connect

    Tietz, F.; Arul Raj, I.; Ma, Q.; Baumann, S.; Mahmoud, A.; Hermann, R.P.

    2016-05-15

    An overview is presented on the variation of electrical conductivity, oxygen permeation, and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO{sub 3}–LaCoO{sub 3}–LaNiO{sub 3}. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni{sub 0.5}Fe{sub 0.5}){sub 1−x}Co{sub x}O{sub 3} and LaNi{sub 0.5-x}Fe{sub x}Co{sub 0.5}O{sub 3}, are presented after the powders had been sintered at 1100 °C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi{sub 0.5}Fe{sub 0.5}O{sub 3} for which 60% rhombohedral and 40% orthorhombic phase was found. The maximum DC electrical conductivity value of the perovskites at 800 °C was 1229 S cm{sup −1} for the composition LaCoO{sub 3} and the minimum was 91 S cm{sup −1} for the composition LaCo{sub 0.5}Fe{sub 0.5}O{sub 3}. The oxygen permeation of samples with promising conductivities at 800 °C was one order of magnitude lower than that of La{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3} (LSCF). The highest value of 0.017 ml cm{sup −2} min{sup −1} at 950 °C was obtained with LaNi{sub 0.5}Co{sub 0.5}O{sub 3}. The coefficients of thermal expansion varied in the range of 13.2×10{sup −6} K{sup −1} and 21.9×10{sup −6} K{sup −1} for LaNi{sub 0.5}Fe{sub 0.5}O{sub 3} and LaCoO{sub 3}, respectively. {sup 57}Fe Mössbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. The substitution had a great influence on the chemical properties of the materials. - Graphical abstract: Compositional dependence of isothermal electrical conductivity at 800 °C and thermal expansion coefficient in the series La(Fe{sub 0.5}Ni{sub 0.5}){sub (1−x)}Co{sub x}O{sub 3} and LaNi{sub 0.5−x}Fe{sub x}Co{sub 0.5}O

  1. GaSb based ternary and quaternary diffused junction devices for TPV applications

    SciTech Connect

    Sundaram, V.S.; Saban, S.B.; Morgan, M.D.; Horne, W.E.; Evans, B.D.; Ketterl, J.R.; Morosini, M.B.; Patel, N.B.; Field, H.

    1997-03-01

    In this work we report the characteristics of ternary, GaInSb (Eg=0.70eV) and quarternary, GaInAsSb (Eg=0.5eV) diffused junction photovoltaic devices. The unique feature of the quarternary device is the extended long-wavelength response to 2.1 microns enabling the efficient use of the blackbody-like thermal sources operating at 1373 K in thermophotovoltaic energy conversion systems. The ternary device was fabricated by diffusing zinc into a n-type (100) oriented GaInSb substrate. For the quarternary, a four micron thick Te doped GaInAsSb layer grown by LPE on a n-type GaSb(100) wafer was used as the starting substrate for zinc diffusion. The ternary device exhibits an open circuit voltage of 0.38 V, Fill Factor of 0.63 and a short circuit current of 0.8A/cm{sup 2}, while the corresponding values for the quarternary device are 0.25 V, 0.58 and 0.8A/cm{sup 2}, respectively. The peak internal quantum efficiency for the ternary is over 90{percent} and that of the quarternary is above 75{percent}. Process optimization should improve the performance charcateristics of the quarternary. {copyright} {ital 1997 American Institute of Physics.}

  2. Ternary rare-earth titanium antimonides: Phase equilibria in the RE-Ti-Sb (RE=La, Er) systems and crystal structures of RE{sub 2}Ti{sub 7}Sb{sub 12} (RE=La, Ce, Pr, Nd) and RETi{sub 3}(Sn{sub x}Sb{sub 1-x}){sub 4} (RE=Nd, Sm)

    SciTech Connect

    Bie Haiying; Devon Moore, S.H.; Piercey, Davin G.; Tkachuk, Andriy V.; Zelinska, Oksana Ya.; Mar, Arthur

    2007-08-15

    Investigations on phase relationships and crystal structures have been conducted on several ternary rare-earth titanium antimonide systems. The isothermal cross-sections of the ternary RE-Ti-Sb systems containing a representative early (RE=La) and late rare-earth element (RE=Er) have been constructed at 800 deg. C. In the La-Ti-Sb system, the previously known compound La{sub 3}TiSb{sub 5} was confirmed and the new compound La{sub 2}Ti{sub 7}Sb{sub 12} (own type, Cmmm, Z=2, a=10.5446(10) A, b=20.768(2) A, and c=4.4344(4) A) was discovered. In the Er-Ti-Sb system, no ternary compounds were found. The structure of La{sub 2}Ti{sub 7}Sb{sub 12} consists of a complex arrangement of TiSb{sub 6} octahedra and disordered fragments of homoatomic Sb assemblies, generating a three-dimensional framework in which La atoms reside. Other early rare-earth elements (RE=Ce, Pr, Nd) can be substituted in this structure type. Attempts to prepare crystals in these systems through use of a tin flux resulted in the discovery of a new Sn-containing pseudoternary phase RETi{sub 3}(Sn{sub x}Sb{sub 1-x}){sub 4} for RE=Nd, Sm (own type, Fmmm, Z=8; a=5.7806(4) A, b=10.0846(7) A, and c=24.2260(16) A for NdTi{sub 3}(Sn{sub 0.1}Sb{sub 0.9}){sub 4}; a=5.7590(4) A, b=10.0686(6) A, and c=24.1167(14) A for SmTi{sub 3}(Sn{sub 0.1}Sb{sub 0.9}){sub 4}). Its structure consists of double-layer slabs of Ti-centred octahedra stacked alternately with nets of the RE atoms; the Ti atoms are arranged in kagome nets. - Graphical abstract: La{sub 2}Ti{sub 7}Sb{sub 12} contains sectioned layers consisting of Ti-centred octahedra linked by corner- and face-sharing.

  3. Solid-state characterization and dissolution properties of meloxicam-moringa coagulant-PVP ternary solid dispersions.

    PubMed

    Noolkar, Suhail B; Jadhav, Namdeo R; Bhende, Santosh A; Killedar, Suresh G

    2013-06-01

    The effect of ternary solid dispersions of poor water-soluble NSAID meloxicam with moringa coagulant (obtained by salt extraction of moringa seeds) and polyvinylpyrrolidone on the in vitro dissolution properties has been investigated. Binary (meloxicam-moringa and meloxicam-polyvinylpyrrolidone (PVP)) and ternary (meloxicam-moringa-PVP) systems were prepared by physical kneading and ball milling and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffractometry. The in vitro dissolution behavior of meloxicam from the different products was evaluated by means of United States Pharmacopeia type II dissolution apparatus. The results of solid-state studies indicated the presence of strong interactions between meloxicam, moringa, and PVP which were of totally amorphous nature. All ternary combinations were significantly more effective than the corresponding binary systems in improving the dissolution rate of meloxicam. The best performance in this respect was given by the ternary combination employing meloxicam-moringa-PVP ratio of [1:(3:1)] prepared by ball milling, with about six times increase in percent dissolution rate, whereas meloxicam-moringa (1:3) and meloxicam-PVP (1:4) prepared by ball milling improved dissolution of meloxicam by almost 3- and 2.5-folds, respectively. The achieved excellent dissolution enhancement of meloxicam in the ternary systems was attributed to the combined effects of impartation of hydrophilic characteristic by PVP, as well as to the synergistic interaction between moringa and PVP.

  4. Utilizing Energy Transfer in Binary and Ternary Bulk Heterojunction Organic Solar Cells.

    PubMed

    Feron, Krishna; Cave, James M; Thameel, Mahir N; O'Sullivan, Connor; Kroon, Renee; Andersson, Mats R; Zhou, Xiaojing; Fell, Christopher J; Belcher, Warwick J; Walker, Alison B; Dastoor, Paul C

    2016-08-17

    Energy transfer has been identified as an important process in ternary organic solar cells. Here, we develop kinetic Monte Carlo (KMC) models to assess the impact of energy transfer in ternary and binary bulk heterojunction systems. We used fluorescence and absorption spectroscopy to determine the energy disorder and Förster radii for poly(3-hexylthiophene-2,5-diyl), [6,6]-phenyl-C61-butyric acid methyl ester, 4-bis[4-(N,N-diisobutylamino)-2,6-dihydroxyphenyl]squaraine (DIBSq), and poly(2,5-thiophene-alt-4,9-bis(2-hexyldecyl)-4,9-dihydrodithieno[3,2-c:3',2'-h][1,5]naphthyridine-5,10-dione). Heterogeneous energy transfer is found to be crucial in the exciton dissociation process of both binary and ternary organic semiconductor systems. Circumstances favoring energy transfer across interfaces allow relaxation of the electronic energy level requirements, meaning that a cascade structure is not required for efficient ternary organic solar cells. We explain how energy transfer can be exploited to eliminate additional energy losses in ternary bulk heterojunction solar cells, thus increasing their open-circuit voltage without loss in short-circuit current. In particular, we show that it is important that the DIBSq is located at the electron donor-acceptor interface; otherwise charge carriers will be trapped in the DIBSq domain or excitons in the DIBSq domains will not be able to dissociate efficiently at an interface. KMC modeling shows that only small amounts of DIBSq (<5% by weight) are needed to achieve substantial performance improvements due to long-range energy transfer.

  5. Neutron Damage and MAX Phase Ternary Compounds

    SciTech Connect

    Barsoum, Michael; Hoffman, Elizabeth; Sindelar, Robert; Garcua-Duaz, Brenda; Kohse, Gordon

    2014-06-17

    The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

  6. Ternary compound electrode for lithium cells

    DOEpatents

    Raistrick, I.D.; Godshall, N.A.; Huggins, R.A.

    1980-07-30

    Lithium-based cells are promising for applications such as electric vehicles and load-leveling for power plants since lithium is very electropositive and of light weight. One type of lithium-based cell utilizes a molten salt electrolyte and normally is operated in the temperature range of about 350 to 500/sup 0/C. Such high temperature operation accelerates corrosion problems. The present invention provides an electrochemical cell in which lithium is the electroactive species. The cell has a positive electrode which includes a ternary compound generally represented as Li-M-O, wherein M is a transition metal. Corrosion of the inventive cell is considerably reduced.

  7. Ternary compound electrode for lithium cells

    DOEpatents

    Raistrick, Ian D.; Godshall, Ned A.; Huggins, Robert A.

    1982-01-01

    Lithium-based cells are promising for applications such as electric vehicles and load-leveling for power plants since lithium is very electropositive and of light weight. One type of lithium-based cell utilizes a molten salt electrolyte and normally is operated in the temperature range of about 350.degree.-500.degree. C. Such high temperature operation accelerates corrosion problems. The present invention provides an electrochemical cell in which lithium is the electroactive species. The cell has a positive electrode which includes a ternary compound generally represented as Li-M-O, wherein M is a transition metal. Corrosion of the inventive cell is considerably reduced.

  8. Temperature Dependence of Densities and Excess Molar Volumes of the Ternary Mixture (1-Butanol + Chloroform + Benzene) and its Binary Constituents (1-Butanol + Chloroform and 1-Butanol + Benzene)

    NASA Astrophysics Data System (ADS)

    Smiljanić, Jelena D.; Kijevčanin, Mirjana Lj.; Djordjević, Bojan D.; Grozdanić, Dušan K.; Šerbanović, Slobodan P.

    2008-04-01

    Densities ρ of the 1-butanol + chloroform + benzene ternary mixture and the 1-butanol + chloroform and 1-butanol + benzene binaries have been measured at six temperatures (288.15, 293.15, 298.15, 303.15, 308.15, and 313.15) K and atmospheric pressure, using an oscillating U-tube densimeter. From these densities, excess molar volumes ( V E) were calculated and fitted to the Redlich Kister equation for all binary mixtures and to the Nagata and Tamura equation for the ternary system. The Radojković et al. equation has been used to predict excess molar volumes of the ternary mixtures. Also, V E data of the binary systems were correlated by the van der Waals (vdW1) and Twu Coon Bluck Tilton (TCBT) mixing rules coupled with the Peng Robinson Stryjek Vera (PRSV) equation of state. The prediction and correlation of V E data for the ternary system were performed by the same models.

  9. Normal state properties of the ternary molybdenum sulfides

    NASA Technical Reports Server (NTRS)

    Woollam, J. A.; Alterovitz, S. A.

    1978-01-01

    By making a large number of normal state and superconducting properties measurements, all on the same ternary molybdenum sulfide samples, we obtain values for Fermi surface and superconducting parameters. From these we conclude that sputtered ternary molybdenum sulfides are not completely in the dirty superconductor limit, and that they are d-band metals with a high electron carrier density.

  10. Demonstration of Complementary Ternary Graphene Field-Effect Transistors

    PubMed Central

    Kim, Yun Ji; Kim, So-Young; Noh, Jinwoo; Shim, Chang Hoo; Jung, Ukjin; Lee, Sang Kyung; Chang, Kyoung Eun; Cho, Chunhum; Lee, Byoung Hun

    2016-01-01

    Strong demand for power reduction in state-of-the-art semiconductor devices calls for novel devices and architectures. Since ternary logic architecture can perform the same function as binary logic architecture with a much lower device density and higher information density, a switch device suitable for the ternary logic has been pursued for several decades. However, a single device that satisfies all the requirements for ternary logic architecture has not been demonstrated. We demonstrated a ternary graphene field-effect transistor (TGFET), showing three discrete current states in one device. The ternary function was achieved by introducing a metal strip to the middle of graphene channel, which created an N-P-N or P-N-P doping pattern depending on the work function of the metal. In addition, a standard ternary inverter working at room temperature has been achieved by modulating the work function of the metal in a graphene channel. The feasibility of a ternary inverter indicates that a general ternary logic architecture can be realized using complementary TGFETs. This breakthrough will provide a key stepping-stone for an extreme-low-power computing technology. PMID:27991594

  11. Normal state properties of the ternary molybdenum sulfides

    NASA Technical Reports Server (NTRS)

    Woollam, J. A.; Alterovitz, S. A.

    1978-01-01

    By making a large number of normal state and superconducting properties measurements, all on the same ternary molybdenum sulfide samples, we obtain values for Fermi surface and superconducting parameters. From these we conclude that sputtered ternary molybdenum sulfides are not completely in the dirty superconductor limit, and that they are d-band metals with a high electron carrier density.

  12. Demonstration of Complementary Ternary Graphene Field-Effect Transistors.

    PubMed

    Kim, Yun Ji; Kim, So-Young; Noh, Jinwoo; Shim, Chang Hoo; Jung, Ukjin; Lee, Sang Kyung; Chang, Kyoung Eun; Cho, Chunhum; Lee, Byoung Hun

    2016-12-19

    Strong demand for power reduction in state-of-the-art semiconductor devices calls for novel devices and architectures. Since ternary logic architecture can perform the same function as binary logic architecture with a much lower device density and higher information density, a switch device suitable for the ternary logic has been pursued for several decades. However, a single device that satisfies all the requirements for ternary logic architecture has not been demonstrated. We demonstrated a ternary graphene field-effect transistor (TGFET), showing three discrete current states in one device. The ternary function was achieved by introducing a metal strip to the middle of graphene channel, which created an N-P-N or P-N-P doping pattern depending on the work function of the metal. In addition, a standard ternary inverter working at room temperature has been achieved by modulating the work function of the metal in a graphene channel. The feasibility of a ternary inverter indicates that a general ternary logic architecture can be realized using complementary TGFETs. This breakthrough will provide a key stepping-stone for an extreme-low-power computing technology.

  13. Demonstration of Complementary Ternary Graphene Field-Effect Transistors

    NASA Astrophysics Data System (ADS)

    Kim, Yun Ji; Kim, So-Young; Noh, Jinwoo; Shim, Chang Hoo; Jung, Ukjin; Lee, Sang Kyung; Chang, Kyoung Eun; Cho, Chunhum; Lee, Byoung Hun

    2016-12-01

    Strong demand for power reduction in state-of-the-art semiconductor devices calls for novel devices and architectures. Since ternary logic architecture can perform the same function as binary logic architecture with a much lower device density and higher information density, a switch device suitable for the ternary logic has been pursued for several decades. However, a single device that satisfies all the requirements for ternary logic architecture has not been demonstrated. We demonstrated a ternary graphene field-effect transistor (TGFET), showing three discrete current states in one device. The ternary function was achieved by introducing a metal strip to the middle of graphene channel, which created an N-P-N or P-N-P doping pattern depending on the work function of the metal. In addition, a standard ternary inverter working at room temperature has been achieved by modulating the work function of the metal in a graphene channel. The feasibility of a ternary inverter indicates that a general ternary logic architecture can be realized using complementary TGFETs. This breakthrough will provide a key stepping-stone for an extreme-low-power computing technology.

  14. Studies on microstructural changes and phase transition during preparation of FeGeNi ternary alloy by mechanical alloying

    NASA Astrophysics Data System (ADS)

    Lin, Fangting; Shi, Wangzhou; Jiang, Dongmei; Ma, Xueming; Shen, Gang

    2006-01-01

    FeGeNi ternary alloy has been prepared by mechanical alloying followed by thermal treatment. Microstructure of the as-milled and annealed samples as well as thermally induced phase transition and variations in degree of order were investigated through a combination of X-ray diffraction and Mössbauer spectroscopy. The results show that alloying in the (Fe 0.81Ni 0.19) 3.94Ge 2 ternary system initiates during ball milling, with the appearance of partially D0 3-ordered A2 solid solution phase and paramagnetic B8 2 FeGeNi ternary phase. A subsequent thermal treatment of 2 h at 800 K produces a remarkable increase in the degree of the D0 3 order, whilst ferromagnetic phase with amorphous character in the as-milled sample is transformed into paramagnetic B8 2 FeGeNi ternary phase where almost all Ni atoms occupy the vacant 2d site. Therefore in the annealed system coexist two phases, namely the D0 3 phase and paramagnetic B8 2 FeGeNi ternary phase.

  15. Symmetric weak ternary quantum homomorphic encryption schemes

    NASA Astrophysics Data System (ADS)

    Wang, Yuqi; She, Kun; Luo, Qingbin; Yang, Fan; Zhao, Chao

    2016-03-01

    Based on a ternary quantum logic circuit, four symmetric weak ternary quantum homomorphic encryption (QHE) schemes were proposed. First, for a one-qutrit rotation gate, a QHE scheme was constructed. Second, in view of the synthesis of a general 3 × 3 unitary transformation, another one-qutrit QHE scheme was proposed. Third, according to the one-qutrit scheme, the two-qutrit QHE scheme about generalized controlled X (GCX(m,n)) gate was constructed and further generalized to the n-qutrit unitary matrix case. Finally, the security of these schemes was analyzed in two respects. It can be concluded that the attacker can correctly guess the encryption key with a maximum probability pk = 1/33n, thus it can better protect the privacy of users’ data. Moreover, these schemes can be well integrated into the future quantum remote server architecture, and thus the computational security of the users’ private quantum information can be well protected in a distributed computing environment.

  16. Plasmonic spectral tunability of conductive ternary nitrides

    SciTech Connect

    Kassavetis, S.; Patsalas, P.; Bellas, D. V.; Lidorikis, E.; Abadias, G.

    2016-06-27

    Conductive binary transition metal nitrides, such as TiN and ZrN, have emerged as a category of promising alternative plasmonic materials. In this work, we show that ternary transition metal nitrides such as Ti{sub x}Ta{sub 1−x}N, Ti{sub x}Zr{sub 1−x}N, Ti{sub x}Al{sub 1−x}N, and Zr{sub x}Ta{sub 1−x}N share the important plasmonic features with their binary counterparts, while having the additional asset of the exceptional spectral tunability in the entire visible (400–700 nm) and UVA (315–400 nm) spectral ranges depending on their net valence electrons. In particular, we demonstrate that such ternary nitrides can exhibit maximum field enhancement factors comparable with gold in the aforementioned broadband range. We also critically evaluate the structural features that affect the quality factor of the plasmon resonance and we provide rules of thumb for the selection and growth of materials for nitride plasmonics.

  17. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    SciTech Connect

    Vajo, John J.

    2016-04-28

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.

  18. Development of binary and ternary titanium alloys for dental implants.

    PubMed

    Cordeiro, Jairo M; Beline, Thamara; Ribeiro, Ana Lúcia R; Rangel, Elidiane C; da Cruz, Nilson C; Landers, Richard; Faverani, Leonardo P; Vaz, Luís Geraldo; Fais, Laiza M G; Vicente, Fabio B; Grandini, Carlos R; Mathew, Mathew T; Sukotjo, Cortino; Barão, Valentim A R

    2017-08-01

    The aim of this study was to develop binary and ternary titanium (Ti) alloys containing zirconium (Zr) and niobium (Nb) and to characterize them in terms of microstructural, mechanical, chemical, electrochemical, and biological properties. The experimental alloys - (in wt%) Ti-5Zr, Ti-10Zr, Ti-35Nb-5Zr, and Ti-35Nb-10Zr - were fabricated from pure metals. Commercially pure titanium (cpTi) and Ti-6Al-4V were used as controls. Microstructural analysis was performed by means of X-ray diffraction and scanning electron microscopy. Vickers microhardness, elastic modulus, dispersive energy spectroscopy, X-ray excited photoelectron spectroscopy, atomic force microscopy, surface roughness, and surface free energy were evaluated. The electrochemical behavior analysis was conducted in a body fluid solution (pH 7.4). The albumin adsorption was measured by the bicinchoninic acid method. Data were evaluated through one-way ANOVA and the Tukey test (α=0.05). The alloying elements proved to modify the alloy microstructure and to enhance the mechanical properties, improving the hardness and decreasing the elastic modulus of the binary and ternary alloys, respectively. Ti-Zr alloys displayed greater electrochemical stability relative to that of controls, presenting higher polarization resistance and lower capacitance. The experimental alloys were not detrimental to albumin adsorption. The experimental alloys are suitable options for dental implant manufacturing, particularly the binary system, which showed a better combination of mechanical and electrochemical properties without the presence of toxic elements. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  19. Microstructural Investigations On Ni-Ta-Al Ternary Alloys

    SciTech Connect

    Negache, M.; Souami, N.

    2010-01-05

    The Ni-Al-Ta ternary alloys in the Ni-rich part present complex microstructures. They are composed of multiple phases that are formed according to the nominal composition of the alloy, primary Ni(gamma), Ni{sub 3}Al(gamma'), Ni{sub 6}AlTa(tau{sub 3}), Ni{sub 3}Ta(delta) or in equilibrium: two solid phases (gamma'-tau{sub 3}), (tau{sub 3}-delta), (tau{sub 3}-gamma), (gamma-delta) or three solid phases (gamma'-tau{sub 3}-delta). The nature and the volume fraction of these phases give these alloys very interesting properties at high temperature, and this makes them attractive for specific applications. We have developed a series of ternary alloys in electric arc furnace, determining their solidification sequences using Differential Thermal Analysis (DTA), characterized by SEM-EDS, X-ray diffraction and by a microhardness tests. The follow-up results made it possible to make a correlation between the nature of the formed phases and their solidifying way into the Ni{sub 75}Al{sub x}Ta{sub y} (x+y = 25at.%) system, which are varied and complex. In addition to the solid solution Ni (gamma), the formed intermetallics compounds (gamma', tau{sub 3} and delta) has been identified and correlated with a complex balance between phases.We noticed that the hardness increases with the tantalum which has a hardening effect and though the compound Ni{sub 3}Ta(delta) is the hardest. The below results provide a better understanding of the complex microstructure of these alloys.

  20. Phase Behavior of Ternary Polymer Blends: Asymmetry, Segregation Strength, and Coexisting Phases

    NASA Astrophysics Data System (ADS)

    Habersberger, Brian McLean

    The bicontinuous microemulsion phase, found in ternary polymer blends containing immiscible A and B homopolymers and an amphiphilic A-B diblock copolymer, has attracted interest due to its combination of properties that make it attractive for use as a template for nanoporous materials. While recent work has demonstrated that a variety of materials can be templated from a single blend system, future work may demand incorporation of a variety of polymers into microemulsion-forming blends. Such systems fall beyond the currently understood model phase behavior for ternary blends. In this thesis, the effect of well-controlled nonidealities and other extensions of ternary blend phase behavior are described. Systems were designed to investigate the influence of conformational asymmetry---a difference in the radius of gyration per molar volume of two polymers---on blend phase behavior. Previous work suggested that the influence was significant, and resulted in a broad region of a hexagonally symmetric phase in the vicinity of the microemulsion. This behavior could inhibit the process of capturing of microemulsion for templating purposes, so it is important to understand conformational asymmetry's influence. A related series of systems was designed to investigate the effect of increased segregation strength by using amphiphilic diblocks of varying molecular weight. Finally, a previous study incorporating an ABA triblock, C homopolymer, and ABABA--C amphiphilic hexablock was expanded to incorporate ordered components, allowing for hierarchical microphase separation. This study demonstrates that model ternary blend phase behavior can be extended to systems containing more complex linear polymer architectures. Additionally, two phenomena observed in these systems were investigated in detail. First, light scattering was observed in the vicinity of the order-disorder transition of blends; this scattering is a result of coexisting ordered and disordered phases. Finally, catalytic

  1. Robust tribo-mechanical and hot corrosion resistance of ultra-refractory Ta-Hf-C ternary alloy films.

    PubMed

    Yate, Luis; Coy, L Emerson; Aperador, Willian

    2017-06-08

    In this work we report the hot corrosion properties of binary and ternary films of the Ta-Hf-C system in V2O5-Na2SO4 (50%wt.-50%wt.) molten salts at 700 °C deposited on AISI D3 steel substrates. Additionally, the mechanical and nanowear properties of the films were studied. The results show that the ternary alloys consist of solid solutions of the TaC and HfC binary carbides. The ternary alloy films have higher hardness and elastic recoveries, reaching 26.2 GPa and 87%, respectively, and lower nanowear when compared to the binary films. The corrosion rates of the ternary alloys have a superior behavior compared to the binary films, with corrosion rates as low as 0.058 μm/year. The combination and tunability of high hardness, elastic recovery, low nanowear and an excellent resistance to high temperature corrosion demonstrates the potential of the ternary Ta-Hf-C alloy films for applications in extreme conditions.

  2. Phase diagrams of the sections As/sub 2/S/sub 3/-Tl/sub 3/AsS/sub 4/, Tl/sub 3/AsS/sub 4/-S, and Tl/sub 3/AsS/sub 4/-Tl/sub 2/S of the ternary system As-Tl-S

    SciTech Connect

    Vorob'ev, Yu.I.; Velikova, N.G.; Kirilenko, V.V.; Shchelokov, R.N.

    1987-12-01

    Using DTA and XPA methods, microstructural investigations, and microhardness measurements, phase diagrams of the quasibinary sections As/sub 2/S/sub 3/-Tl/sub 3/AsS/sub 4/, Tl/sub 3/AsS/sub 4/-S, and Tl/sub 3/AsS/sub 4/-Tl/sub 2/S, are characterized by five ternary compounds Tl/sub 3/As/sub 5/S/sub 10/, Tl/sub 9/As/sub 5/S/sub 15/, Tl/sub 9/As/sub 3/S/sub 13/, Tl/sub 3/AsS/sub 6/, and Tl/sub 8/As/sub 2/S/sub 9/, which decompose by peritectic reactions at 198, 307, 408, 362, and 318/degree/C, respectively. Interplanar spacings and line intensities are given for the detected compounds. Glass formation is considered in the Tl-As-S system.

  3. [Construction of Three-Dimensional Isobologram for Ternary Pollutant Mixtures].

    PubMed

    2015-12-01

    Tongji University, Shanghai 200092, China) Isobolographic analysis was widely used in the interaction assessment of binary mixtures. However, how to construct a three-dimensional (3D) isobologram for the assessment of toxicity interaction within ternary mixtures is still not reported up to date. The main purpose of this paper is to develop a 3D isobologram where the relative concentrations of three components are acted as three coordinate axes in 3D space to examine the toxicity interaction within ternary mixtures. Taking six commonly used pesticides in China, including three herbicides (2, 4-D, desmetryne and simetryn) and three insecticides ( dimethoate, imidacloprid and propoxur) as the mixture components, the uniform design ray procedure (UD-Ray) was used to rationally design the concentration composition of various components in the ternary mixtures so that effectively and comprehensively reflected the variety of actual environmental concentrations. The luminescent inhibition toxicities of single pesticides and their ternary mixtures to Vibrio fischeri at various concentration levels were determined by the microplate toxicity analysis. Selecting concentration addition (CA) as the addition reference, 3D isobolograms were constructed to study the toxicity interactions of various ternary mixtures. The results showed that the 3D isobologram could clearly and directly exhibit the toxicity interactions of ternary mixtures, and extend the use of isobolographic analysis into the ternary mixtures.

  4. Flashpoint prediction for ternary mixtures of alcohols with water for CFD simulation of unsteady flame propagation during explosion

    NASA Astrophysics Data System (ADS)

    Skřínský, Jan; Vereš, Ján; Ševčíková, Silvie Petránková

    2016-06-01

    Aqueous solutions of binary and ternary mixtures of alcohols are of considerable interest for a wide range of scientists and technologists. Simple dimensionless experimental formulae based on rational reciprocal and polynomial functions are proposed for correlation of the flashpoint data of binary mixtures of two components. The formulae are based on data obtained from flashpoint experiments and predictions. The main results are the derived experimental flashpoint values for ternary mixtures of two aqueous-organic solutions and the model prediction of maximum explosion pressure values for the studied mixtures. Potential application for the results concerns the assessment of fire and explosion hazards, and the development of inherently safer designs for chemical processes containing binary and ternary partially miscible mixtures of an aqueous-organic system. The goal of this article is to present the results of modelling using these standard models and to demonstrate its importance in the area of CFD simulation.

  5. Intrinsic DX Centers in Ternary Chalcopyrite Semiconductors

    SciTech Connect

    Lany, S.; Zunger, A.

    2008-01-01

    In III-V and II-VI semiconductors, certain nominally electron-donating impurities do not release electrons but instead form deep electron-traps known as 'DX centers.' While in these compounds, such traps occur only after the introduction of foreign impurity atoms, we find from first-principles calculations that in ternary I-III-VI{sub 2} chalcopyrites like CuInSe{sub 2} and CuGaSe{sub 2}, DX-like centers can develop without the presence of any extrinsic impurities. These intrinsic DX centers are suggested as a cause of the difficulties to maintain high efficiencies in CuInSe{sub 2}-based thin-film solar-cells when the band gap is increased by addition of Ga.

  6. Pb-free Sn-Ag-Cu ternary eutectic solder

    DOEpatents

    Anderson, I.E.; Yost, F.G.; Smith, J.F.; Miller, C.M.; Terpstra, R.L.

    1996-06-18

    A Pb-free solder includes a ternary eutectic composition consisting essentially of about 93.6 weight % Sn-about 4.7 weight % Ag-about 1.7 weight % Cu having a eutectic melting temperature of about 217 C and variants of the ternary composition wherein the relative concentrations of Sn, Ag, and Cu deviate from the ternary eutectic composition to provide a controlled melting temperature range (liquid-solid ``mushy`` zone) relative to the eutectic melting temperature (e.g. up to 15 C above the eutectic melting temperature). 5 figs.

  7. Pb-free Sn-Ag-Cu ternary eutectic solder

    DOEpatents

    Anderson, Iver E.; Yost, Frederick G.; Smith, John F.; Miller, Chad M.; Terpstra, Robert L.

    1996-06-18

    A Pb-free solder includes a ternary eutectic composition consisting essentially of about 93.6 weight % Sn-about 4.7 weight % Ag-about 1.7 weight % Cu having a eutectic melting temperature of about 217.degree. C. and variants of the ternary composition wherein the relative concentrations of Sn, Ag, and Cu deviate from the ternary eutectic composition to provide a controlled melting temperature range (liquid-solid "mushy" zone) relative to the eutectic melting temperature (e.g. up to 15.degree. C. above the eutectic melting temperature).

  8. A Three-dimensional Topological Model of Ternary Phase Diagram

    NASA Astrophysics Data System (ADS)

    Mu, Yingxue; Bao, Hong

    2017-01-01

    In order to obtain a visualization of the complex internal structure of ternary phase diagram, the paper realized a three-dimensional topology model of ternary phase diagram with the designed data structure and improved algorithm, under the guidance of relevant theories of computer graphics. The purpose of the model is mainly to analyze the relationship between each phase region of a ternary phase diagram. The model not only obtain isothermal section graph at any temperature, but also extract a particular phase region in which users are interested.

  9. Ternary particle yields in 249Cf(nth,f)

    NASA Astrophysics Data System (ADS)

    Tsekhanovich, I.; Büyükmumcu, Z.; Davi, M.; Denschlag, H. O.; Gönnenwein, F.; Boulyga, S. F.

    2003-03-01

    An experiment measuring ternary particle yields in 249Cf(nth,f) was carried out at the high flux reactor of the Institut Laue-Langevin using the Lohengrin recoil mass separator. Parameters of energy distributions were determined for 27 ternary particles up to 30Mg and their yields were calculated. The yields of 17 further ternary particles were estimated on the basis of the systematics developed. The heaviest particles observed in the experiment are 37Si and 37S; their possible origin is discussed.

  10. Ternary biosorption studies of Cd(II), Cr(III) and Ni(II) on shelled Moringa oleifera seeds.

    PubMed

    Sharma, Parul; Kumari, Pushpa; Srivastava, M M; Srivastava, Shalini

    2007-01-01

    Competitive biosorption of Cd(II), Cr(III) and Ni(II) on unmodified shelled Moringa oleifera seeds (SMOS) present in ternary mixture were compared with the single metal solution. The extent of adsorption capacity of the ternary metal ions tested on unmodified SMOS was low (10-20%) as compared to single metal ions. SMOS removed the target metal ions in the selectivity order of Cd(II) > Cr(III) > Ni(II). Sorption equilibria, calculated from adsorption data, explained favorable performance of biosorption system. Regeneration of exhausted biomass was also attempted for several cycles with a view to restore the sorbent to its original state.

  11. Self-assembled ternary complexes of neutral liposomes, deoxyribonucleic acid, and bivalent metal cations. Promising vectors for gene transfer?

    NASA Astrophysics Data System (ADS)

    Bruni, P.; Pisani, M.; Amici, A.; Marchini, C.; Montani, M.; Francescangeli, O.

    2006-02-01

    By means of synchrotron x-ray diffraction we demonstrate the self-assembled formation of the neutral ternary dioleoyl-phosphatidylcholine-deoxyribonucleic acid (plasmid)-Me2+ (Me=Ca and Mn) complexes in the liquid-crystalline Lα phase. We also report an attempt of an in vitro transfection on mouse fibroplast NIH 3T3 cell lines, which shows the capability of these complexes to transfect DNA. Based on the reported results, efficient encapsulation of DNA plasmids in these ternary neutral complexes may represent an important alternative to current systemic gene approaches.

  12. Vaporization thermodynamic studies by high-temperature mass spectrometry on some three-phase regions over the MnO-TeO2 binary line in the Mn-Te-O ternary system.

    PubMed

    Narasimhan, T S Lakshmi; Sai Baba, M; Viswanathan, R

    2006-12-28

    Knudsen effusion mass spectrometric measurements have been performed in the temperature range of 850-950 K over four three-phase mixtures, each phase mixture having at least one phase lying on the MnO-TeO2 binary line of the Mn-Te-O phase diagram, and the rest of the phases lying above this binary line. The three-phase mixtures investigated are Mn3O4 + MnO + Mn6Te5O16; Mn3O4 + Mn6Te5O16 + MnTeO3; Mn3O4 + Mn3TeO6 + MnTeO3; and Mn3TeO6 + MnTeO3 + Mn2Te3O8. The vapor pressures of the gaseous species TeO2, TeO, and Te2 over these three-phase mixtures were measured, and various heterogeneous solid-gas reactions were evaluated along with the homogeneous gas-phase reaction TeO2(g) + 0.5Te2(g) = 2 TeO(g). The enthalpy and Gibbs free energy of formation of the four ternary Mn-Te-O phases were deduced at T = 900 K. These values (in kJ.mol-1), along with the estimated uncertainties in them are Delta(f)H(o)m = 4150 +/- 19, 752 +/- 11, 1710 +/- 11, 1924 +/- 40, and Delta(f)G(o)m= 2835 +/- 28, 511 +/- 11, 1254 +/- 19, 1238 +/- 38, for Mn6Te5O16, MnTeO3, Mn3TeO6, and Mn2Te3O8, respectively. A thermochemical assessment was made to examine the conditions under which the ternary Mn-Te-O phases could be formed on a stainless steel clad of mixed-oxide-fueled (MO2; M = U + Pu) fast breeder nuclear reactors. The phase Mn3TeO6 could be formed when the fuel is even slightly hyperstoichiometric (O/M = 2.0002) and the phase Mn6Te5O16 could also be formed when O/M = 2.0004. The threshold tellurium potential for the formation of Mn3TeO6 is higher than that for MnTe0.80 and CrTe1.10, but is comparable to that for MoTe1.10, and even lower than that for FeTe0.81 or NiTe0.63.

  13. Diffusion-controlled solidification of a ternary melt from a cooled boundary

    NASA Astrophysics Data System (ADS)

    Aitta, Anneli; Huppert, Herbert E.; Grae Worster, M.

    2001-04-01

    We present details of an experimental study of crystallization adjacent to a cooled boundary from an aqueous solution of potassium nitrate and sodium nitrate. This transparent system is typical of many ternary melts that do not form solid solutions, including examples in igneous petrology and metallurgy. We have measured the rates of advance of the front of crystallization and the eutectic front, behind which the system is completely solid. From careful measurements of the concentration and temperature fields, we have been able to infer the location of an internal phase boundary: the cotectic front separating a region in which only one component of the ternary system forms crystals from a region in which two components form crystals. Our experiments were conducted under conditions in which fluid flow is minimal, so that rates of crystallization are determined principally by the diffusive transport of heat. We have confirmed that the thicknesses of the various regions all grow in proportion to the square root of time, as is expected of diffusion-limited growth, and have determined the constants of proportionality for a range of different initial concentrations and boundary temperatures. We have found evidence to suggest that there may be a significant nucleation delay in the secondary and tertiary crystallization. Our measurements of concentration provide much more information about the ternary phase diagram than has hitherto been available.

  14. Numerical Prediction of the Thermodynamic Properties of Ternary Al-Ni-Pd Alloys

    NASA Astrophysics Data System (ADS)

    Zagula-Yavorska, Maryana; Romanowska, Jolanta; Kotowski, Sławomir; Sieniawski, Jan

    2016-01-01

    Thermodynamic properties of ternary Al-Ni-Pd system, such as exGAlNPd, µAl(AlNiPd), µNi(AlNiPd) and µPd(AlNiPd) at 1,373 K, were predicted on the basis of thermodynamic properties of binary systems included in the investigated ternary system. The idea of predicting exGAlNiPd values was regarded as calculation of values of the exG function inside a certain area (a Gibbs triangle) unless all boundary conditions, that is values of exG on all legs of the triangle are known (exGAlNi, exGAlPd, exGNiPd). This approach is contrary to finding a function value outside a certain area, if the function value inside this area is known. exG and LAl,Ni,Pd ternary interaction parameters in the Muggianu extension of the Redlich-Kister formalism were calculated numerically using the Excel program and Solver. The accepted values of the third component xx differed from 0.01 to 0.1 mole fraction. Values of LAlNiPd parameters in the Redlich-Kister formula are different for different xx values, but values of thermodynamic functions: exGAlNiPd, µAl(AlNiPd), µNi(AlNiPd) and µPd(AlNiPd) do not differ significantly for different xx values. The choice of xx value does not influence the accuracy of calculations.

  15. Multistate Memristive Tantalum Oxide Devices for Ternary Arithmetic

    NASA Astrophysics Data System (ADS)

    Kim, Wonjoo; Chattopadhyay, Anupam; Siemon, Anne; Linn, Eike; Waser, Rainer; Rana, Vikas

    2016-11-01

    Redox-based resistive switching random access memory (ReRAM) offers excellent properties to implement future non-volatile memory arrays. Recently, the capability of two-state ReRAMs to implement Boolean logic functionality gained wide interest. Here, we report on seven-states Tantalum Oxide Devices, which enable the realization of an intrinsic modular arithmetic using a ternary number system. Modular arithmetic, a fundamental system for operating on numbers within the limit of a modulus, is known to mathematicians since the days of Euclid and finds applications in diverse areas ranging from e-commerce to musical notations. We demonstrate that multistate devices not only reduce the storage area consumption drastically, but also enable novel in-memory operations, such as computing using high-radix number systems, which could not be implemented using two-state devices. The use of high radix number system reduces the computational complexity by reducing the number of needed digits. Thus the number of calculation operations in an addition and the number of logic devices can be reduced.

  16. Multistate Memristive Tantalum Oxide Devices for Ternary Arithmetic.

    PubMed

    Kim, Wonjoo; Chattopadhyay, Anupam; Siemon, Anne; Linn, Eike; Waser, Rainer; Rana, Vikas

    2016-11-11

    Redox-based resistive switching random access memory (ReRAM) offers excellent properties to implement future non-volatile memory arrays. Recently, the capability of two-state ReRAMs to implement Boolean logic functionality gained wide interest. Here, we report on seven-states Tantalum Oxide Devices, which enable the realization of an intrinsic modular arithmetic using a ternary number system. Modular arithmetic, a fundamental system for operating on numbers within the limit of a modulus, is known to mathematicians since the days of Euclid and finds applications in diverse areas ranging from e-commerce to musical notations. We demonstrate that multistate devices not only reduce the storage area consumption drastically, but also enable novel in-memory operations, such as computing using high-radix number systems, which could not be implemented using two-state devices. The use of high radix number system reduces the computational complexity by reducing the number of needed digits. Thus the number of calculation operations in an addition and the number of logic devices can be reduced.

  17. Multistate Memristive Tantalum Oxide Devices for Ternary Arithmetic

    PubMed Central

    Kim, Wonjoo; Chattopadhyay, Anupam; Siemon, Anne; Linn, Eike; Waser, Rainer; Rana, Vikas

    2016-01-01

    Redox-based resistive switching random access memory (ReRAM) offers excellent properties to implement future non-volatile memory arrays. Recently, the capability of two-state ReRAMs to implement Boolean logic functionality gained wide interest. Here, we report on seven-states Tantalum Oxide Devices, which enable the realization of an intrinsic modular arithmetic using a ternary number system. Modular arithmetic, a fundamental system for operating on numbers within the limit of a modulus, is known to mathematicians since the days of Euclid and finds applications in diverse areas ranging from e-commerce to musical notations. We demonstrate that multistate devices not only reduce the storage area consumption drastically, but also enable novel in-memory operations, such as computing using high-radix number systems, which could not be implemented using two-state devices. The use of high radix number system reduces the computational complexity by reducing the number of needed digits. Thus the number of calculation operations in an addition and the number of logic devices can be reduced. PMID:27834352

  18. Gas adsorption properties of the ternary ZnO/CuO/CuCl(2) impregnated activated carbon system for multigas respirator applications assessed through combinatorial methods and dynamic adsorption studies.

    PubMed

    Romero, Jennifer V; Smith, Jock W H; Sullivan, Braden M; Mallay, Matthew G; Croll, Lisa M; Reynolds, Judy A; Andress, Carrie; Simon, Monika; Dahn, Jeff R

    2011-11-14

    A ternary library of 64 ZnO/CuO/CuCl(2) impregnated activated carbon samples was synthesized and screened automatically using a combinatorial (combi) method. The ability of the samples to adsorb toxic gases was screened gravimetrically. The stoichiometric ratio of reaction (SRR) between the moles of toxicant and the total moles of impregnant was obtained from the calculated mass increase of the samples after chemisorption, with a high SRR indicating high efficiency of toxicant removal. The combi samples that exhibited good dry SO(2) and NH(3) adsorption were prepared in bulk using the incipient wetness method and were evaluated for multigas respirator function by dynamic adsorption studies of SO(2), NH(3), HCN, and C(6)H(12) gases in either dry or humid conditions at ambient temperature. The bulk samples showed equivalent gas adsorption capacities when exposed to the different challenge gases indicating the value of the combi method for initial screening. Cu(2)Cl(OH)(3) was identified to be a potential multigas adsorbent.

  19. High-Strength Nanocomposite Aerogels of Ternary Composition: Poly(vinyl alcohol), Clay, and Cellulose Nanofibrils.

    PubMed

    Liu, Andong; Medina, Lilian; Berglund, Lars A

    2017-02-22

    Clay aerogels are foam-like materials with potential to combine high mechanical performance with fire retardancy. However, the compression strength of these aerogels is much lower than theoretically predicted values. High-strength aerogels with more than 95% porosity were prepared from a ternary material system based on poly(vinyl alcohol), montmorillonite clay platelets, and cellulose nanofibrils. A hydrocolloidal suspension of the three components was subjected to freeze-drying so that a low-density aerogel foam was formed. Cell structure was studied by field-emission scanning electron microscopy. Interactions at the molecular scale were observed by X-ray diffraction and Fourier transform infrared spectroscopy. Cross-linking was carried out using glutaraldehyde or borax, and moisture stability was investigated. These biobased ternary aerogels showed compression strength much better than that of previously studied materials and also showed strength higher than that of high-performance sandwich foam cores such as cross-linked polyvinyl chloride foams.

  20. Method for preparing homogeneous single crystal ternary III-V alloys

    DOEpatents

    Ciszek, Theodore F.

    1991-01-01

    A method for producing homogeneous, single-crystal III-V ternary alloys of high crystal perfection using a floating crucible system in which the outer crucible holds a ternary alloy of the composition desired to be produced in the crystal and an inner floating crucible having a narrow, melt-passing channel in its bottom wall holds a small quantity of melt of a pseudo-binary liquidus composition that would freeze into the desired crystal composition. The alloy of the floating crucilbe is maintained at a predetermined lower temperature than the alloy of the outer crucible, and a single crystal of the desired homogeneous alloy is pulled out of the floating crucible melt, as melt from the outer crucible flows into a bottom channel of the floating crucible at a rate that corresponds to the rate of growth of the crystal.

  1. Superconductivity in the Metal Rich Li-Pd-B Ternary Boride

    NASA Astrophysics Data System (ADS)

    Togano, K.; Badica, P.; Nakamori, Y.; Orimo, S.; Takeya, H.; Hirata, K.

    2004-12-01

    Superconductivity at about 8K was observed in the metal-rich Li-Pd-B ternary system. Structural, microstructural, electrical, and magnetic investigations for various compositions proved that the Li2Pd3B compound, which has an antiperovskite cubic structure composed of distorted Pd6B octahedrons, is responsible for the superconductivity. This is the first observation of superconductivity in metal-rich ternary borides containing alkaline metal and Pd as a late transition metal. The compound prepared by arc melting has a high density and is relatively stable in the air. The upper critical fields Hc2(0) estimated by linear extrapolation and the Werthamer-Helfand-Hohenberg theory are 6.2 and 4.8T, respectively.

  2. Thermoelectric properties of Co(x)Ni(4-x)Sb(12-y)Sn(y) ternary skutterudites

    NASA Technical Reports Server (NTRS)

    Mackey, Jon A.; Dynys, Frederick W.; Sehirlioglu, Alp

    2014-01-01

    Thermoelectric materials based on the skutterudite crystal structure have demonstrated enhanced performance (ZT greater than 1), along with good thermal stability and favorable mechanical properties. Binary skutterudites, with single and multiple fillers, have been intensively studied in recent years. Compared to binary skutterudites, the ternary systems have received less attention, e.g. Ni4Sb8Sn4. Ternary skutterudites are isoelectronic variants of binary skutterudites; cation substitutions appear to be isostructural to their binary analogues. In general, ternary skutterudites exhibit lower thermal conductivity. Ternary systems of Ni4Bi8Ge4, Ni4Sb8Ge4, and Ni4Sb8Sn4 were investigated using combined solidification and sintering steps. Skutterudite formation was not achieved in the Ni4Bi8Ge4 and Ni4Sb8Ge4 systems; skutterudite formation occurred in Ni4Sb8Sn4 system. P-type material was achieved by Co substitution for Ni. Thermoelectric properties were measured from 298 K to 673 K for Ni4Sb8Sn4, Ni4 Sb7Sn5 and Co2Ni2Sb7Sn5. N-type Ni4Sb8Sn4 exhibit the highest figure of merit of 0.1 at 523 K.

  3. Ultrasonic irradiation-driven sonocatalytic degradation of methylene blue by ternary Fe3O4/ZnO/NGP nanocomposites

    NASA Astrophysics Data System (ADS)

    Harno, Faurul Fitri; Taufik, Ardiansyah; Saleh, Rosari

    2017-01-01

    In the current work, ZnO nanoparticles were modified by Fe3O4 and nanographene platelets (NGP) to enhance their sonocatalytic activity for degradation of methylene blue. The molar ratio between Fe3O4 and ZnO is 1:5, so we denote it as Fe3O4/5ZnO Ternary Fe3O4/5ZnO/NGP with various wt.% of nanographene platelets were fabricated by the sol-gel combining with the hydrothermal methods. The structure, chemical composition and surface area of ternary Fe3O4/5ZnO/NGP were investigated by X-ray diffraction (XRD), energy dispersive X-ray (EDX) and surface area analyzer while the thermal properties were characterized by Thermogravimetric Analysis (TGA) measurements. The magnetic properties of the samples were investigated using vibrating sample magnetometer (VSM). The conditions such as the weight ratio of nanographene platelets in ternary Fe3O4/5ZnO/NGP, catalyst dose and reusability of catalyst were investigated to identify the degradation of methylene blue under ultrasonic irradiation. A possible mechanism was proposed for the degradation of methylene blue over ternary Fe3O4/5ZnO-nanographene platelets ultrasonic irradiation. The ternary Fe3O4/5ZnO-nanographene platelets can be separated from the system effectively and easily using external magnet field. A significant sonocatalytic activity after four successive recycles was recorded and confirmed that the structure of ternary Fe3O4/5ZnO-nanographene platelets is stable during the sonocatalytic process.

  4. Large field-induced-strain at high temperature in ternary ferroelectric crystals.

    PubMed

    Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D

    2016-10-13

    The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals.

  5. ThermoData Engine (TDE) software implementation of the dynamic data evaluation concept. 7. Ternary mixtures.

    PubMed

    Diky, Vladimir; Chirico, Robert D; Muzny, Chris D; Kazakov, Andrei F; Kroenlein, Kenneth; Magee, Joseph W; Abdulagatov, Ilmutdin; Kang, Jeong Won; Frenkel, Michael

    2012-01-23

    ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported in this journal. The present paper describes the first application of this concept to the evaluation of thermophysical properties for ternary chemical systems. The method involves construction of Redlich-Kister type equations for individual properties (excess volume, thermal conductivity, viscosity, surface tension, and excess enthalpy) and activity coefficient models for phase equilibrium properties (vapor-liquid and liquid-liquid equilibrium). Constructed ternary models are based on those for the three pure component and three binary subsystems evaluated on demand through the TDE software algorithms. All models are described in detail, and extensions to the class structure of the program are provided. Reliable evaluation of properties for the binary subsystems is essential for successful property evaluations for ternary systems, and algorithms are described to aid appropriate parameter selection and fitting for the implemented activity coefficient models (NRTL, Wilson, Van Laar, Redlich-Kister, and UNIQUAC). Two activity coefficient models based on group contributions (original UNIFAC and NIST-KT-UNIFAC) are also implemented. Novel features of the user interface are shown, and directions for future enhancements are outlined.

  6. Large field-induced-strain at high temperature in ternary ferroelectric crystals

    PubMed Central

    Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D.

    2016-01-01

    The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals. PMID:27734908

  7. Large field-induced-strain at high temperature in ternary ferroelectric crystals

    NASA Astrophysics Data System (ADS)

    Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D.

    2016-10-01

    The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals.

  8. An electrochemical hydrogen meter for measuring hydrogen in sodium using a ternary electrolyte mixture

    NASA Astrophysics Data System (ADS)

    Sridharan, R.; Mahendran, K. H.; Nagaraj, S.; Gnanasekaran, T.; Periaswami, G.

    2003-01-01

    An electrochemical sensor for measuring hydrogen concentration in liquid sodium that is based on a ternary mixture of LiCl, CaCl 2 and CaHCl as the electrolyte has been developed. DSC experiments showed the eutectic temperature of this ternary system to be ˜725 K. Impedance spectroscopic analysis of the electrolyte indicated ionic conduction through a molten phase at ˜725 K. Two electrochemical hydrogen sensors were constructed using the ternary electrolyte of composition 70 mol% LiCl:16 mol% CaHCl:14 mol% CaCl 2 and tested at 723 K in a mini sodium loop and at hydrogen levels of 60-250 ppb in sodium. The sensors show linear response in this concentration range and are capable of detecting a change of 10 ppb hydrogen in sodium over a background level of 60 ppb. Identification of this electrolyte system and its use in a sensor for measuring hydrogen in sodium are described in this paper.

  9. Lead-free piezoelectric ceramics based on (0.97 - x)K0.48Na0.52NbO3-0.03Bi0.5(Na0.7K0.2Li0.1)0.5ZrO3-xB0.5Na0.5TiO3 ternary system

    NASA Astrophysics Data System (ADS)

    Cheng, Xiaojing; Wu, Jiagang; Wang, Xiaopeng; Zhang, Binyu; Zhu, Jianguo; Xiao, Dingquan; Wang, Xiangjian; Lou, Xiaojie; Liang, Wenfeng

    2013-09-01

    In this work, the ternary system of potassium-sodium niobate has been designed to enhance the piezoelectric properties without sacrificing the Curie temperature greatly, and (0.97 - x)K0.48Na0.52NbO3-0.03Bi0.5(Na0.7K0.2Li0.1)0.5ZrO3-xB0.5Na0.5TiO3 ceramics have been prepared by the conventional solid-state method. The effect of B0.5Na0.5TiO3 content on the microstructure and electrical properties of the ceramics is studied. The phase diagram shows a phase boundary of the rhombohedral-tetragonal (R-T) phase coexistence in the composition range of 0.5% < x < 1.5%, and then an enhanced dielectric, ferroelectric, and piezoelectric behavior is obtained at such a phase boundary zone. The ceramic with x = 0.01 has an optimum electrical behavior of d33 ˜ 285 pC/N, kp ˜ 0.40, ɛr ˜ 1235, tan δ ˜ 0.031, Pr ˜ 14.9 μC/cm2, and Ec ˜ 15.2 kV/cm, together with a high Curie temperature of ˜347 °C. The large d33 in such a ternary system is due to a composition-induced R-T phase transition and a higher ɛrPr, and the thermal stability performance is strongly dependent on the phase structure. As a result, the design of the ternary system is an effective way to enhance the piezoelectric properties of potassium-sodium niobate materials.

  10. The gRNA-miRNA-gRNA Ternary Cassette Combining CRISPR/Cas9 with RNAi Approach Strongly Inhibits Hepatitis B Virus Replication

    PubMed Central

    Wang, Jie; Chen, Ran; Zhang, Ruiyang; Ding, Shanlong; Zhang, Tianying; Yuan, Quan; Guan, Guiwen; Chen, Xiangmei; Zhang, Ting; Zhuang, Hui; Nunes, Frederick; Block, Timothy; Liu, Shuang; Duan, Zhongping; Xia, Ningshao; Xu, Zhongwei; Lu, Fengmin

    2017-01-01

    The CRISPR/Cas9 system is a novel genome editing technology which has been successfully used to inhibit HBV replication. Here, we described a novel gRNA-microRNA (miRNA)-gRNA ternary cassette driven by a single U6 promoter. With an anti-HBV pri-miR31 mimic integrated between two HBV-specific gRNAs, both gRNAs could be separated from the long transcript of gRNA-miR-HBV-gRNA ternary cassette through Drosha/DGCR8 processing. The results showed that the gRNA-miR-HBV-gRNA ternary cassette could efficiently express two gRNAs and miR-HBV. The optimal length of pri-miRNA flanking sequence in our ternary cassette was determined to be 38 base pairs (bp). Besides, HBV-specific gRNAs and miR-HBV in gRNA-miR-HBV-gRNA ternary cassette could exert a synergistic effect in inhibiting HBV replication and destroying HBV genome in vitro and in vivo. Most importantly, together with RNA interference (RNAi) approach, the HBV-specific gRNAs showed the potent activity on the destruction of HBV covalently closed circular DNA (cccDNA). Since HBV cccDNA is an obstacle for the elimination of chronic HBV infection, the gRNA-miR-HBV-gRNA ternary cassette may be a potential tool for the clearance of HBV cccDNA. PMID:28839466

  11. Ternary Solar Cells Based on Two Small Molecule Donors with Same Conjugated Backbone: The Role of Good Miscibility and Hole Relay Process.

    PubMed

    Xiao, Liangang; Liang, Tianxiang; Gao, Ke; Lai, Tianqi; Chen, Xuebin; Liu, Feng; Russell, Thomas P; Huang, Fei; Peng, Xiaobin; Cao, Yong

    2017-09-06

    Ternary organic solar cells (OSCs) are very attractive for further enhancing the power conversion efficiencies (PCEs) of binary ones but still with a single active layer. However, improving the PCEs is still challenging because a ternary cell with one more component is more complicated on phase separation behavior. If the two donors or two acceptors have similar chemical structures, good miscibility can be expected to reduce the try-and-error work. Herein, we report ternary devices based on two small molecule donors with the same backbone but different substituents. Whereas both binary devices show PCEs about 9%, the PCE of the ternary cells is enhanced to 10.17% with improved fill factor and short-circuit current values and external quantum efficiencies almost in the whole absorption wavelength region from 440 to 850 nm. The same backbone enables the donors miscible at molecular level, and the donor with a higher HOMO level plays hole relay process to facilitate the charge transportation in the ternary devices. Since side-chain engineering has been well performed to tune the active materials' energy levels in OSCs, our results suggest that their ternary systems are promising for further improving the binary cells' performance although their absorptions are not complementary.

  12. Phase relations in the system NaCl-KCl-H2O: IV. Differential thermal analysis of the sylvite liquidus in the KCl-H2O binary, the liquidus in the NaCl-KCl-H2O ternary, and the solidus in the NaCl-KCl binary to 2 kb pressure, and a summary of experimental data for thermodynamic-PTX analysis of solid-liquid equilibria at elevated P-T conditions

    USGS Publications Warehouse

    Chou, I.-Ming; Sterner, S.M.; Pitzer, Kenneth S.

    1992-01-01

    The sylvite liquidus in the binary system KCl-H2O and the liquidus in the ternary system NaCl-KCl-H2O were determined by using isobaric differential thermal analysis (DTA) cooling scans at pressures up to 2 kbars. Sylvite solubilities along the three-phase curve in the binary system KCl-H2O were obtained by the intersection of sylvite-liquidus isopleths with the three-phase curve in a P-T plot. These solubility data can be represented by the equation Wt.% KCl (??0.2) = 12.19 + 0.1557T - 5.4071 ?? 10-5 T2, where 400 ??? T ??? 770??C. These data are consistent with previous experimental observations. The solidus in the binary system NaCl-KCl was determined by using isobaric DTA heating scans at pressures up to 2 kbars. Using these liquidus and solidus data and other published information, a thermodynamic-PTX analysis of solid-liquid equilibria at high pressures and temperatures for the ternary system has been performed and is presented in an accompanying paper (Part V of this series). However, all experimental liquidus, solidus, and solvus data used in this analysis are summarized in this report (Part IV) and they are compared with the calculated values based on the analysis. ?? 1992.

  13. Boron site preference in ternary Ta and Nb boron silicides

    SciTech Connect

    Khan, Atta U.; Nunes, Carlos A.; Coelho, Gilberto C.; Suzuki, Paulo A.; Grytsiv, Andriy; Bourree, Francoise; Rogl, Peter F.

    2012-06-15

    X-ray single crystal (XSC) and neutron powder diffraction data (NPD) were used to elucidate boron site preference for five ternary phases. Ta{sub 3}Si{sub 1-x}B{sub x} (x=0.112(4)) crystallizes with the Ti{sub 3}P-type (space group P4{sub 2}/n) with B-atoms sharing the 8g site with Si atoms. Ta{sub 5}Si{sub 3-x} (x=0.03(1); Cr{sub 5}B{sub 3}- type) crystallizes with space group I4/mcm, exhibiting a small amount of vacancies on the 4a site. Both, Ta{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.568(3), and Nb{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.59(2), are part of solid solutions of M{sub 5}Si{sub 3} with Cr{sub 5}B{sub 3}-type into the ternary M-Si-B systems (M=Nb or Ta) with B replacing Si on the 8h site. The D8{sub 8}-phase in the Nb-Si-B system crystallizes with the Ti{sub 5}Ga{sub 4}-type revealing the formula Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292(3)) with B partially filling the voids in the 2b site of the Mn{sub 5}Si{sub 3} parent type. - Graphical abstract: The crystal structures of a series of compounds have been solved from X-ray single crystal diffractometry revealing details on the boron incorporation. Highlights: Black-Right-Pointing-Pointer Structure of a series of compounds have been solved by X-ray single crystal diffractometry. Black-Right-Pointing-Pointer Ta{sub 3}(Si{sub 1-x}B{sub x}) (x=0.112) crystallizes with the Ti{sub 3}P-type, B and Si atoms randomly share the 8g site. Black-Right-Pointing-Pointer Structure of Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292; Ti{sub 5}Ga{sub 4}-type) was solved from NPD.

  14. Study of copper(II) ternary complexes with phosphocreatine and some polyamines in aqueous solution.

    PubMed

    Szyfman, Natalie W; Loureiro, Nina P; Tenório, Thaís; Mercê, Ana L R; Mangrich, Antônio Sálvio; Rey, Nicolás A; Felcman, Judith

    2011-12-01

    Ternary systems of Cu(II) with phosphocreatine (PCr) and the polyamines (PAs), ethylenediamine (en), 1,3-diaminopropane (tn), putrescine (Put), spermidine (Spd), and spermine (Spm), were investigated in aqueous solution through potentiometry, ultraviolet-visible, EPR and Raman spectroscopy. The binary complex CuPCr was also studied by Raman spectroscopy, and the calculation of the minimum stabilization energy was done assuming this molecule in aqueous solution. The stability constants of the CuPCrPA ternary complexes were determined by potentiometry (T=25°C, I=0.1 mol L(-1), KNO(3)). The stability order determined was CuPCrSpm>CuPCrSpd>CuPCren>CuPCrtn>CuPCrPut, the same order of the corresponding binary complexes of Cu(II) with these polyamines. The evaluation of intramolecular PA-PCr interactions in protonated and deprotonated species of ternary complexes was carried out using the equation Δlog K=log β(CuPCrPAHq+p)-(log β(CuPAHq)+log β(CuPCrHp)). All of the CuPCrPA ternary complexes have a square planar structure and are bonded to PCr through the nitrogen atom of the guanidine group and the oxygen atom of the phosphate group, and to the PAs through two nitrogen atoms of the amine groups. The structure of the complex CuPCrSpm is planar with distortion towards tetrahedral. Calculation of the minimum stabilization energy for the CuPCr and CuPCrenH complexes confirmed the proposed coordination mode. Copyright © 2011 Elsevier Inc. All rights reserved.

  15. Ternary and coupled binary zinc tin oxide nanopowders: Synthesis, characterization, and potential application in photocatalytic processes

    SciTech Connect

    Ivetić, T.B.; Finčur, N.L.; Đačanin, Lj. R.; Abramović, B.F.; Lukić-Petrović, S.R.

    2015-02-15

    Highlights: • Mechanochemically synthesized nanocrystalline zinc tin oxide (ZTO) powders. • Photocatalytic degradation of alprazolam in the presence of ZTO water suspensions. • Coupled binary ZTO exhibits enhanced photocatalytic activity compared to ternary ZTO. - Abstract: In this paper, ternary and coupled binary zinc tin oxide nanocrystalline powders were prepared via simple solid-state mechanochemical method. X-ray diffraction, scanning electron microscopy, Raman and reflectance spectroscopy were used to study the structure and optical properties of the obtained powder samples. The thermal behavior of zinc tin oxide system was examined through simultaneous thermogravimetric-differential scanning calorimetric analysis. The efficiencies of ternary (Zn{sub 2}SnO{sub 4} and ZnSnO{sub 3}) and coupled binary (ZnO/SnO{sub 2}) zinc tin oxide water suspensions in the photocatalytic degradation of alprazolam, short-acting anxiolytic of the benzodiazepine class of psychoactive drugs, under UV irradiation were determined and compared with the efficiency of pure ZnO and SnO{sub 2}.

  16. Studies on Cu(II) ternary complexes involving an aminopenicillin drug and imidazole containing ligands

    NASA Astrophysics Data System (ADS)

    Regupathy, Sthanumoorthy; Nair, Madhavan Sivasankaran

    2010-02-01

    Equilibrium studies on the ternary complex systems involving ampicillin (amp) as ligand (A) and imidazole containing ligands viz., imidazole (Him), benzimidazole (Hbim), histamine (Hist) and histidine (His) as ligands (B) at 37 °C and I = 0.15 mol dm -3 (NaClO 4) show the presence of CuABH, CuAB and CuAB 2. The proton in the CuABH species is attached to ligand A. In the ternary complexes the ligand, amp(A) binds the metal ion via amino nitrogen and carbonyl oxygen atom. The CuAB (B = Hist/His)/CuAB 2 (B = Him/Hbim) species have also been isolated and the analytical data confirmed its formation. Non-electrolytic behavior and monomeric type of chelates have been assessed from their low conductance and magnetic susceptibility values. The electronic and vibrational spectral results were interpreted to find the mode of binding of ligands to metal and geometry of the complexes. This is also supported by the g tensor values calculated from ESR spectra. The thermal behaviour of complexes were studied by TGA/DTA. The redox behavior of the complexes has been studied by cyclic voltammetry. The antimicrobial activity and CT DNA cleavage study of the complexes show higher activity for ternary complexes.

  17. Improved LIDT values for dielectric dispersive compensating mirrors applying ternary composites

    NASA Astrophysics Data System (ADS)

    Willemsen, T.; Schlichting, S.; Gyamfi, M.; Jupé, M.; Ehlers, H.; Morgner, U.; Ristau, D.

    2016-12-01

    The present contribution is addressed to an improved method to fabricate dielectric dispersive compensating mirrors (CMs) with an increased laser induced damage threshold (LIDT) by the use of ternary composite layers. Taking advantage of a novel in-situ phase monitor system, it is possible to control the sensitive deposition process more precisely. The study is initiated by a design synthesis, to achieve optimum reflection and GDD values for a conventional high low stack (HL)n. Afterwards the field intensity is analyzed, and layers affected by highest electric field intensities are exchanged by ternary composites of TaxSiyOz. Both designs have similar target specifications whereby one design is using ternary composites and the other one is distinguished by a (HL)n. The first layers of the stack are switched applying in-situ optical broad band monitoring in conjunction with a forward re-optimization algorithm, which also manipulates the layers remaining for deposition at each switching event. To accomplish the demanded GDD-spectra, the last layers are controlled by a novel in-situ white light interferometer operating in the infrared spectral range. Finally the CMs are measured in a 10.000 on 1 procedure according to ISO 21254 applying pulses with a duration of 130 fs at a central wavelength of 775 nm to determine the laser induced damage threshold.

  18. Pattern selection in ternary mushy layers

    NASA Astrophysics Data System (ADS)

    Guba, Peter; Anderson, Daniel

    2015-11-01

    We consider finite-amplitude convection in a mushy layer during the primary solidification of a ternary alloy. A previous linear theory identified, for the case of vanishing latent heat, solute rejection and background solidification, a direct mode of convective instability when all the individual stratifying agencies (thermal and two solutal) were statically stabilizing. The physical mechanism behind this instability was attributed to the local-phase-change effect on the net solute balance through the liquid-phase solutal diffusivity. A weakly nonlinear development of this instability is investigated in detail. We examine the stability of two-dimensional roll, and three-dimensional square and hexagonal convection patterns. The amplitude evolution equations governing roll/square and roll/hexagon competition are derived. We find that any of rolls, squares or hexagons can be nonlinearly stable, depending on the relative importance of a number of physical effects as reflected in the coefficients of the amplitude equations. The results for a special case are found to isolate a purely double-diffusive phase-change mechanism of pattern selection. Subcritical behaviour is identified inside the domain of individual static stability.

  19. Lunar granites with unique ternary feldspars

    NASA Technical Reports Server (NTRS)

    Ryder, G.; Stoeser, D. B.; Marvin, U. B.; Bower, J. F.

    1975-01-01

    An unusually high concentration of granitic fragments, with textures ranging from holocrystalline to glassy, occurs throughout Boulder 1, a complex breccia of highland rocks from Apollo 17, Station 2. Among the minerals included in the granites are enigmatic K-Ca-rich feldspars that fall in the forbidden region of the ternary diagram. The great variability in chemistry and texture is probably the result of impact degradation and melting of a granitic source-rock. Studies of the breccia matrix suggest that this original granitic source-rock may have contained more pyroxenes and phosphates than most of the present clasts contain. Petrographic observations on Apollo 15 KREEP basalts indicate that granitic liquids may be produced by differentiation without immiscibility, and the association of the granites with KREEP-rich fragments in the boulder suggests that the granites represent a residual liquid from the plutonic fractional crystallization of a KREEP-rich magma. Boulder 1 is unique among Apollo 17 samples in its silica-KREEP-rich composition. We conclude that the boulder represents a source-rock unlike the bedrock of South Massif.

  20. Two-layer synchronized ternary quantum-dot cellular automata wire crossings.

    PubMed

    Bajec, Iztok Lebar; Pečar, Primož

    2012-04-16

    : Quantum-dot cellular automata are an interesting nanoscale computing paradigm. The introduction of the ternary quantum-dot cell enabled ternary computing, and with the recent development of a ternary functionally complete set of elementary logic primitives and the ternary memorizing cell design of complex processing structures is becoming feasible. The specific nature of the ternary quantum-dot cell makes wire crossings one of the most problematic areas of ternary quantum-dot cellular automata circuit design. We hereby present a two-layer wire crossing that uses a specific clocking scheme, which ensures the crossed wires have the same effective delay.

  1. Effect of fullerene tris-adducts on the photovoltaic performance of P3HT:fullerene ternary blends.

    PubMed

    Kang, Hyunbum; Kim, Ki-Hyun; Kang, Tae Eui; Cho, Chul-Hee; Park, Sunhee; Yoon, Sung Cheol; Kim, Bumjoon J

    2013-05-22

    Fullerene tris-adducts have the potential of achieving high open-circuit voltages (V(OC)) in bulk heterojunction (BHJ) polymer solar cells (PSCs), because their lowest unoccupied molecular orbital (LUMO) level is higher than those of fullerene mono- and bis-adducts. However, no successful examples of the use of fullerene tris-adducts as electron acceptors have been reported. Herein, we developed a ternary-blend approach for the use of fullerene tris-adducts to fully exploit the merit of their high LUMO level. The compound o-xylenyl C60 tris-adduct (OXCTA) was used as a ternary acceptor in the model system of poly(3-hexylthiophene) (P3HT) as the electron donor and the two soluble fullerene acceptors of OXCTA and fullerene monoadduct (o-xylenyl C60 monoadduct (OXCMA), phenyl C61-butyric acid methyl ester (PCBM), or indene-C60 monoadduct (ICMA)). To explore the effect of OXCTA in ternary-blend PSC devices, the photovoltaic behavior of the device was investigated in terms of the weight fraction of OXCTA (W(OXCTA)). When W(OXCTA) is small (<0.3), OXCTA can generate a synergistic bridging effect between P3HT and the fullerene monoadduct, leading to simultaneous enhancement in both V(OC) and short-circuit current (J(SC)). For example, the ternary PSC devices of P3HT:(OXCMA:OXCTA) with W(OXCTA) of 0.1 and 0.3 exhibited power-conversion efficiencies (PCEs) of 3.91% and 3.96%, respectively, which were significantly higher than the 3.61% provided by the P3HT:OXCMA device. Interestingly, for W(OXCTA) > 0.7, both V(OC) and PCE of the ternary-blend PSCs exhibited nonlinear compositional dependence on W(OXCTA). We noted that the nonlinear compositional trend of P3HT:(OXCMA:OXCTA) was significantly different from that of P3HT:(OXCMA:o-xylenyl C60 bis-adduct (OXCBA)) ternary-blend PSC devices. The fundamental reasons for the differences between the photovoltaic trends of the two different ternary-blend systems were investigated systemically by comparing their optical, electrical

  2. Ion Beam Nanostructuring of HgCdTe Ternary Compound

    NASA Astrophysics Data System (ADS)

    Smirnov, Aleksey B.; Savkina, Rada K.; Udovytska, Ruslana S.; Gudymenko, Oleksandr I.; Kladko, Vasyl P.; Korchovyi, Andrii A.

    2017-05-01

    Systematic study of mercury cadmium telluride thin films subjected to the ion beam bombardment was carried out. The evolution of surface morphology of (111) Hg1 - x Cd x Te ( x 0.223) epilayers due to 100 keV B+ and Ag+ ion irradiation was studied by AFM and SEM methods. X-ray photoelectron spectroscopy and X-ray diffraction methods were used for the investigation of the chemical compound and structural properties of the surface and subsurface region. It was found that in the range of nanoscale, arrays of holes and mounds on Hg0.777Cd0.223Te (111) surface as well as the polycrystalline Hg1 - x Cd x Te cubic phase with alternative compound ( x 0.20) have been fabricated using 100 keV ion beam irradiation of the basic material. Charge transport investigation with non-stationary impedance spectroscopy method has shown that boron-implanted structures are characterized by capacity-type impedance whereas for silver-implanted structures, an inductive-type impedance (or "negative capacitance") is observed. A hybrid system, which integrates the nanostructured ternary compound (HgCdTe) with metal-oxide (Ag2O) inclusions, was fabricated by Ag+ ion bombardment. The sensitivity of such metal-oxide-semiconductor hybrid structure for sub-THz radiation was detected with NEP 4.5 × 10-8 W/Hz1/2at ν ≈ 140 GHz and 296 K without amplification.

  3. The immiscibility of InAlN ternary alloy

    PubMed Central

    Zhao, Guijuan; Xu, Xiaoqing; Li, Huijie; Wei, Hongyuan; Han, Dongyue; Ji, Zesheng; Meng, Yulin; Wang, Lianshan; Yang, Shaoyan

    2016-01-01

    We have used two models based on the valence force field and the regular solution model to study the immiscibility of InAlN ternary alloy, and have got the spinodal and binodal curves of InAlN. Analyzing the spinodal decomposition curves, we obtain the appropriate concentration region for the epitaxial growth of the InN-AlN pseudobinary alloy. At a temperature most common for the epitaxial growth of InAlN (1000 K), the solubility of InN is about 10%. Then we introduce the mismatch strain item into the Gibbs free energy, and the effect of different substrates is taken into consideration. Considering Si, Al2O3, InN, GaN, AlN as a substrate respectively, it is found that all the five systems are stabilized with the upper critical solution temperature largely reduced. Finally, InN and GaN are potential substrates for In-rich InAlN, while AlN and GaN substrates are recommended in the Al-rich region. Si and Al2O3 may be ideal substrates for thin InAlN film. PMID:27221345

  4. Growth Mechanism of Nanowires: Binary and Ternary Chalcogenides

    NASA Technical Reports Server (NTRS)

    Singh, N. B.; Coriell, S. R.; Su, Ching-Hua; Hopkins, R. H.; Arnold, B.; Choa, Fow-Sen; Cullum, Brian

    2016-01-01

    Semiconductor nanowires exhibit very exciting optical and electrical properties including high transparency and a several order of magnitude better photocurrent than thin film and bulk materials. We present here the mechanism of nanowire growth from the melt-liquid-vapor medium. We describe preliminary results of binary and ternary selenide materials in light of recent theories. Experiments were performed with lead selenide and thallium arsenic selenide systems which are multifunctional material and have been used for detectors, acousto-optical, nonlinear and radiation detection applications. We observed that small units of nanocubes and elongated nanoparticles arrange and rearrange at moderate melt undercooling to form the building block of a nanowire. Since we avoided the catalyst, we observed self-nucleation and uncontrolled growth of wires from different places. Growth of lead selenide nanowires was performed by physical vapor transport method and thallium arsenic selenide nanowire by vapor-liquid-solid (VLS) method. In some cases very long wires (>mm) are formed. To achieve this goal experiments were performed to create situation where nanowires grew on the surface of solid thallium arsenic selenide itself.

  5. Control mechanism of double-rotator-structure ternary optical computer

    NASA Astrophysics Data System (ADS)

    Kai, SONG; Liping, YAN

    2017-03-01

    Double-rotator-structure ternary optical processor (DRSTOP) has two characteristics, namely, giant data-bits parallel computing and reconfigurable processor, which can handle thousands of data bits in parallel, and can run much faster than computers and other optical computer systems so far. In order to put DRSTOP into practical application, this paper established a series of methods, namely, task classification method, data-bits allocation method, control information generation method, control information formatting and sending method, and decoded results obtaining method and so on. These methods form the control mechanism of DRSTOP. This control mechanism makes DRSTOP become an automated computing platform. Compared with the traditional calculation tools, DRSTOP computing platform can ease the contradiction between high energy consumption and big data computing due to greatly reducing the cost of communications and I/O. Finally, the paper designed a set of experiments for DRSTOP control mechanism to verify its feasibility and correctness. Experimental results showed that the control mechanism is correct, feasible and efficient.

  6. Transmission properties of one-dimensional ternary plasma photonic crystals

    SciTech Connect

    Shiveshwari, Laxmi; Awasthi, S. K.

    2015-09-15

    Omnidirectional photonic band gaps (PBGs) are found in one-dimensional ternary plasma photonic crystals (PPC) composed of single negative metamaterials. The band characteristics and transmission properties are investigated through the transfer matrix method. We show that the proposed structure can trap light in three-dimensional space due to the elimination of Brewster's angle transmission resonance allowing the existence of complete PBG. The results are discussed in terms of incident angle, layer thickness, dielectric constant of the dielectric material, and number of unit cells (N) for TE and TM polarizations. It is seen that PBG characteristics is apparent even in an N ≥ 2 system, which is weakly sensitive to the incident angle and completely insensitive to the polarization. Finite PPC could be used for multichannel transmission filter without introducing any defect in the geometry. We show that the locations of the multichannel transmission peaks are in the allowed band of the infinite structure. The structure can work as a single or multichannel filter by varying the number of unit cells. Binary PPC can also work as a polarization sensitive tunable filter.

  7. Myeloperoxidase, paraoxonase-1, and HDL form a functional ternary complex

    PubMed Central

    Huang, Ying; Wu, Zhiping; Riwanto, Meliana; Gao, Shengqiang; Levison, Bruce S.; Gu, Xiaodong; Fu, Xiaoming; Wagner, Matthew A.; Besler, Christian; Gerstenecker, Gary; Zhang, Renliang; Li, Xin-Min; DiDonato, Anthony J.; Gogonea, Valentin; Tang, W.H. Wilson; Smith, Jonathan D.; Plow, Edward F.; Fox, Paul L.; Shih, Diana M.; Lusis, Aldons J.; Fisher, Edward A.; DiDonato, Joseph A.; Landmesser, Ulf; Hazen, Stanley L.

    2013-01-01

    Myeloperoxidase (MPO) and paraoxonase 1 (PON1) are high-density lipoprotein–associated (HDL-associated) proteins mechanistically linked to inflammation, oxidant stress, and atherosclerosis. MPO is a source of ROS during inflammation and can oxidize apolipoprotein A1 (APOA1) of HDL, impairing its atheroprotective functions. In contrast, PON1 fosters systemic antioxidant effects and promotes some of the atheroprotective properties attributed to HDL. Here, we demonstrate that MPO, PON1, and HDL bind to one another, forming a ternary complex, wherein PON1 partially inhibits MPO activity, while MPO inactivates PON1. MPO oxidizes PON1 on tyrosine 71 (Tyr71), a modified residue found in human atheroma that is critical for HDL binding and PON1 function. Acute inflammation model studies with transgenic and knockout mice for either PON1 or MPO confirmed that MPO and PON1 reciprocally modulate each other’s function in vivo. Further structure and function studies identified critical contact sites between APOA1 within HDL, PON1, and MPO, and proteomics studies of HDL recovered from acute coronary syndrome (ACS) subjects revealed enhanced chlorotyrosine content, site-specific PON1 methionine oxidation, and reduced PON1 activity. HDL thus serves as a scaffold upon which MPO and PON1 interact during inflammation, whereupon PON1 binding partially inhibits MPO activity, and MPO promotes site-specific oxidative modification and impairment of PON1 and APOA1 function. PMID:23908111

  8. Growth mechanism of nanowires: binary and ternary chalcogenides

    NASA Astrophysics Data System (ADS)

    Singh, N. B.; Coriell, S. R.; Su, Ching Hua; Hopkins, R. H.; Arnold, B.; Choa, Fow-Sen; Cullum, Brian

    2016-05-01

    Semiconductor nanowires exhibit very exciting optical and electrical properties including high transparency and a several order of magnitude better photocurrent than thin film and bulk materials. We present here the mechanism of nanowire growth from the melt-liquid-vapor medium. We describe preliminary results of binary and ternary selenide materials in light of recent theories. Experiments were performed with lead selenide and thallium arsenic selenide systems which are multifunctional material and have been used for detectors, acoustooptical, nonlinear and radiation detection applications. We observed that small units of nanocubes and elongated nanoparticles arrange and rearrange at moderate melt undercooling to form the building block of a nanowire. Since we avoided the catalyst, we observed self-nucleation and uncontrolled growth of wires from different places. Growth of lead selenide nanowires was performed by physical vapor transport method and thallium arsenic selenide nanowire by vapor-liquid-solid (VLS) method. In some cases very long wires (>mm) are formed. To achieve this goal experiments were performed to create situation where nanowires grew on the surface of solid thallium arsenic selenide itself.

  9. Myeloperoxidase, paraoxonase-1, and HDL form a functional ternary complex.

    PubMed

    Huang, Ying; Wu, Zhiping; Riwanto, Meliana; Gao, Shengqiang; Levison, Bruce S; Gu, Xiaodong; Fu, Xiaoming; Wagner, Matthew A; Besler, Christian; Gerstenecker, Gary; Zhang, Renliang; Li, Xin-Min; DiDonato, Anthony J; Gogonea, Valentin; Tang, W H Wilson; Smith, Jonathan D; Plow, Edward F; Fox, Paul L; Shih, Diana M; Lusis, Aldons J; Fisher, Edward A; DiDonato, Joseph A; Landmesser, Ulf; Hazen, Stanley L

    2013-09-01

    Myeloperoxidase (MPO) and paraoxonase 1 (PON1) are high-density lipoprotein-associated (HDL-associated) proteins mechanistically linked to inflammation, oxidant stress, and atherosclerosis. MPO is a source of ROS during inflammation and can oxidize apolipoprotein A1 (APOA1) of HDL, impairing its atheroprotective functions. In contrast, PON1 fosters systemic antioxidant effects and promotes some of the atheroprotective properties attributed to HDL. Here, we demonstrate that MPO, PON1, and HDL bind to one another, forming a ternary complex, wherein PON1 partially inhibits MPO activity, while MPO inactivates PON1. MPO oxidizes PON1 on tyrosine 71 (Tyr71), a modified residue found in human atheroma that is critical for HDL binding and PON1 function. Acute inflammation model studies with transgenic and knockout mice for either PON1 or MPO confirmed that MPO and PON1 reciprocally modulate each other's function in vivo. Further structure and function studies identified critical contact sites between APOA1 within HDL, PON1, and MPO, and proteomics studies of HDL recovered from acute coronary syndrome (ACS) subjects revealed enhanced chlorotyrosine content, site-specific PON1 methionine oxidation, and reduced PON1 activity. HDL thus serves as a scaffold upon which MPO and PON1 interact during inflammation, whereupon PON1 binding partially inhibits MPO activity, and MPO promotes site-specific oxidative modification and impairment of PON1 and APOA1 function.

  10. Dynamical simulation of sputtering and reflection from a ternary alloy

    NASA Astrophysics Data System (ADS)

    Ishida, M.; Yamaguchi, Y.; Yoshinaga, H.; Yamamura, Y.

    The sputtering and the reflection from a Tb0.2Fe0.7Co0.1 alloy due to Ar+ ion bombardment have been investigated by the Monte Carlo simulation code ACAT-DIFFUSE which include the compositional change induced by ion influence. In the Tb-Fe-Co system, Fe atoms are preferentially sputtered. The atomic size of a Tb atom is the largest of these three atoms, and so Tb atoms trap preferentially in vacancies. The steady-state concentration of Tb atoms at the topmost layer is larger than the bulk concentration for the low energy ions due to radiation-induced segregation and preferential sputtering of Fe atoms. As the ion fluence increases, the atomic fractions of sputtered atoms calculated by the ACAT-DIFFUSE code become those of the bulk concentration. The depth profiles of each element at the steady state depend on the incident energy. The total sputtering yield and the reflection coefficient from a Tb-Fe-Co alloy calculated by the ACAT-DIFFUSE code are larger than those by the ACAT code at near-threshold energies, where the ACAT code does not include the ion-influence effect. The energy spectra of back-scattered Ar atoms from the present ternary alloy have very similar profiles to those from a monoatomic Tb target, especially for low-energy Ar+ ions.

  11. Electronic structure and phase equilibria in ternary substitutional alloys

    SciTech Connect

    Traiber, A.J.S.; Allen, S.M.; Turchi, P.E.A.; Waterstrat, R.M.

    1996-04-26

    A reliable, consistent scheme to study phase equilibria in ternary substitutional alloys based on the tight-binding approximation is presented. With electronic parameters from linear muffin-tin orbital calculations, the computed density of states and band structures compare well with those from more accurate {ital ab}{ital initio} calculations. Disordered alloys are studied within the tight-binding coherent-potential approximation extended to alloys; energetics of ordered systems are obtained through effective pair interactions computed with the general perturbation method; and partially ordered alloys are studied with a novel simplification of the molecular coherent-potential approximation combined with the general perturbation method. The formalism is applied to bcc-based Zr-Ru-Pd alloys which are promising candidates for medical implant devices. Using energetics obtained from the above scheme, we apply the cluster- variation method to study phase equilibria for particular pseudo- binary alloys and show that results are consistent with observed behavior of electronic specific heat coefficient with composition for Zr{sub 0.5}(Ru, Pd){sub 0.5}.

  12. Phase equilibria in the La–Mg–Ge system at 500 °C and crystal structure of the new ternary compounds La{sub 11}Mg{sub 2}Ge{sub 7} and LaMg{sub 3−x}Ge{sub 2}

    SciTech Connect

    De Negri, S.; Solokha, P.; Skrobańska, M.; Proserpio, D.M.; Saccone, A.

    2014-10-15

    The whole 500 °C isothermal section of the La–Mg–Ge ternary system was constructed. The existence and crystal structure of three ternary compounds were confirmed: La{sub 2+x}Mg{sub 1−x}Ge{sub 2} (τ{sub 2}, P4/mbm, tP10–Mo{sub 2}FeB{sub 2}, 0≤x≤0.25), La{sub 4}Mg{sub 5}Ge{sub 6} (τ{sub 3}, Cmc2{sub 1}, oS60–Gd{sub 4}Zn{sub 5}Ge{sub 6}) and La{sub 4}Mg{sub 7}Ge{sub 6} (τ{sub 4}, C2/m, mS34, own structure type). Five novel compounds were identified and structurally characterized: La{sub 11}Mg{sub 2}Ge{sub 7} (τ{sub 1}, P4{sub 2}/ncm, tP88-8, own structure type, a=1.21338(5), c=1.57802(6) nm), LaMg{sub 3−x}Ge{sub 2} (τ{sub 5}, P3{sup ¯}1c, hP34-0.44, own structure type, x=0.407(5), a=0.78408(4), c=1.45257(7) nm), La{sub 6}Mg{sub 23}Ge (τ{sub 6}, Fm3{sup ¯}m, cF120–Zr{sub 6}Zn{sub 23}Si, a=1.46694(6) nm), La{sub 4}MgGe{sub 10−x} (τ{sub 7}, x=0.37(1), C2/m, mS60-1.46, own structure type, a=0.88403(8), b=0.86756(8), c=1.7709(2) nm, β=97.16°(1) and La{sub 2}MgGe{sub 6} (τ{sub 8}, Cmce, oS72–Ce{sub 2}(Ga{sub 0.1}Ge{sub 0.9}){sub 7}, a=0.8989(2), b=0.8517(2), c=2.1064(3) nm). Disordering phenomena were revealed in several La–Mg–Ge phases in terms of partially occupied sites. The crystal structures of La{sub 11}Mg{sub 2}Ge{sub 7} and LaMg{sub 3−x}Ge{sub 2} are discussed in details. The latter is a √3a×√3a×2c superstructure of the LaLi{sub 3}Sb{sub 2} structure type; the symmetry reduction scheme is shown in the Bärnighausen formalism terms. - Graphical abstract: La–Mg–Ge isothermal section at 500 °C and group–subgroup relation between the LaLi{sub 3}Sb{sub 2} (parent type) and LaMg{sub 3−x}Ge{sub 2} (derivative) structures. - Highlights: • Novel La−Mg−Ge compounds structure determination from X-ray single crystal data. • Disordering phenomena as common features of the studied germanides. • Bärnighausen formalism as a useful tool for accurate structure determination. • Full isothermal section of the La

  13. Diffuse interface simulation of ternary fluids in contact with solid

    NASA Astrophysics Data System (ADS)

    Zhang, Chun-Yu; Ding, Hang; Gao, Peng; Wu, Yan-Ling

    2016-03-01

    In this article we developed a geometrical wetting condition for diffuse-interface simulation of ternary fluid flows with moving contact lines. The wettability of the substrate in the presence of ternary fluid flows is represented by multiple contact angles, corresponding to the different material properties between the respective fluid and the substrate. Displacement of ternary fluid flows on the substrate leads to the occurrence of moving contact point, at which three moving contact lines meet. We proposed a weighted contact angle model, to replace the jump in contact angle at the contact point by a relatively smooth transition of contact angle over a region of 'diffuse contact point' of finite size. Based on this model, we extended the geometrical formulation of wetting condition for two-phase flows with moving contact lines to ternary flows with moving contact lines. Combining this wetting condition, a Navier-Stokes solver and a ternary-fluid model, we simulated two-dimensional spreading of a compound droplet on a substrate, and validated the numerical results of the drop shape at equilibrium by comparing against the analytical solution. We also checked the convergence rate of the simulation by investigating the axisymmetric drop spreading in a capillary tube. Finally, we applied the model to a variety of applications of practical importance, including impact of a circular cylinder into a pool of two layers of different fluids and sliding of a three-dimensional compound droplet in shear flows.

  14. An Efficient Approach Towards the Photodegradation of Indigo Carmine by Introducing ZnO/CuO/Si Ternary Nanocomposite as Photocatalyst

    NASA Astrophysics Data System (ADS)

    Dhara, Arnab; Baral, Apurba; Chabri, Sumit; Sinha, Arijit; Bandyopadhyay, Nil Ratan; Mukherjee, Nillohit

    2017-04-01

    The authors report a facile route for the large scale synthesis of CuO/ZnO/Si ternary system achieved by non-equilibrium synthesis using High Energy Ball Milling (HEBM) technique. The synthesized material was found highly efficient for the photo-degradation of a hazardous dye Indigo Carmine, a widely used dye in textile industries with major threats to our environment. The structural properties of the prepared material were evaluated using X-ray diffraction and field emission scanning electron microscopy, which revealed, that the optimization of milling duration plays a crucial role for the formation of such ternary system. UV-Vis-NIR spectroscopy yielded broadband absorption of light over the region 1100-350 nm. The photocatalytic activities of CuO/ZnO/Si ternary system were systematically explored by monitoring the fall in specific absorption peak intensity of the aqueous Indigo Carmine solution exposed under artificial light source.

  15. An Efficient Approach Towards the Photodegradation of Indigo Carmine by Introducing ZnO/CuO/Si Ternary Nanocomposite as Photocatalyst

    NASA Astrophysics Data System (ADS)

    Dhara, Arnab; Baral, Apurba; Chabri, Sumit; Sinha, Arijit; Bandyopadhyay, Nil Ratan; Mukherjee, Nillohit

    2016-05-01

    The authors report a facile route for the large scale synthesis of CuO/ZnO/Si ternary system achieved by non-equilibrium synthesis using High Energy Ball Milling (HEBM) technique. The synthesized material was found highly efficient for the photo-degradation of a hazardous dye Indigo Carmine, a widely used dye in textile industries with major threats to our environment. The structural properties of the prepared material were evaluated using X-ray diffraction and field emission scanning electron microscopy, which revealed, that the optimization of milling duration plays a crucial role for the formation of such ternary system. UV-Vis-NIR spectroscopy yielded broadband absorption of light over the region 1100-350 nm. The photocatalytic activities of CuO/ZnO/Si ternary system were systematically explored by monitoring the fall in specific absorption peak intensity of the aqueous Indigo Carmine solution exposed under artificial light source.

  16. Double-ternary complex affinity chromatography: preparation of alcohol dehydrogenases.

    PubMed

    Lange, L G; Vallee, B L

    1976-10-19

    A general affinity chromatographic method for alcohol dehydrogenase purification has been developed by employing immobilized 4-substituted pyrazole derivatives that isolate the enzyme through formation of a specific ternary complex. Sepharose 4B is activated with 300 mg of cyanogen bromide/ml of packed gel and coupled to 4-[3-(N-6-aminocaproyl)aminopropyl]pyrazole. From crude liver extracts in 50 mM phosphate-0.37 mM nicotinamide adenine dinucleotide, pH 7.5, alcohol dehydrogenase is optimally bound at a capacity of 4-5 mg of enzyme/ml of gel. Addition of ethanol, propanol, or butanol, 500 mM, results in the formation of a second ternary complex, which allows the elution of bound enzyme in high yield and purity. This double-ternary complex affinity chromatography has been applied successfully to human, horse, rat, and rabbit liver extracts to isolate the respective homogeneous alcohol dehydrogenases.

  17. Competitive surface enrichment of alcohols in ternary water alcohol mixtures

    NASA Astrophysics Data System (ADS)

    Raina, G.; Kulkarni, G. U.

    2003-05-01

    Molecular beams generated from the vapors above the surfaces of ternary mixtures, water-methanol-ethanol, water-ethanol-1-propanol and water-methanol-1-propanol have been examined by mass spectrometry. The propensity for surface enrichment of the alcohols is obtained in terms of the vapor mole fractions of the alcohols, which in turn were estimated from the cluster populations in the molecular beam. The enriching propensities in the ternary mixtures are compared with those in the binary mixtures. The net surface enrichment in ternary mixtures is generally lowered in comparison to that in the binary mixtures, except in the case of water-methanol-ethanol, where it is similar. While the surface enriching ability of methanol is nearly unaffected, that of ethanol is enhanced. The enriching ability of the longer chain propanol, however decreases significantly.

  18. Solubility enhancement of miconazole nitrate: binary and ternary mixture approach.

    PubMed

    Rai, Vineet Kumar; Dwivedi, Harinath; Yadav, Narayan Prasad; Chanotiya, Chandan Singh; Saraf, Shubhini A

    2014-08-01

    Enhancement of aqueous solubility of very slightly soluble Miconazole Nitrate (MN) is required to widen its application from topical formulation to oral/mucoadhesive formulations. Aim of the present investigation was to enhance the aqueous solubility of MN using binary and ternary mixture approach. Binary mixtures such as solvent deposition, inclusion complexation and solid dispersion were adopted to enhance solubility using different polymers like lactose, beta-cyclodextrin (β-CD) and polyethylene-glycol 6000 (PEG 6000), respectively. Batches of binary mixtures with highest solubility enhancement potentials were further mixed to form ternary mixture by a simple kneading method. Drug polymer interaction and mixture morphology was studied using the Fourier transform infrared spectroscopy and the scanning electron microscopy, respectively along with their saturation solubility studies and drug release. An excellent solubility enhancement, i.e. up to 72 folds and 316 folds of MN was seen by binary and ternary mixture, respectively. Up to 99.5% drug was released in 2 h from the mixtures of MN and polymers. RESULTS revealed that solubility enhancement by binary mixtures is achieved due to surface modification and by increasing wettability of MN. Tremendous increase in solubility of MN by ternary mixture could possibly be due to blending of water soluble polymers, i.e. lactose and PEG 6000 with β-CD which was found to enhance the solubilizing nature of β-CD. Owing to the excellent solubility enhancement potential of ternary mixtures in enhancing MN solubility from 110.4 μg/ml to 57640.0 μg/ml, ternary mixture approach could prove to be promising in the development of oral/mucoadhesive formulations.

  19. Aspects of the strontium oxide-copper oxide-titanium dioxide ternary system related to the deposition of strontium titanate and copper doped strontium titanate thin film buffer layers

    NASA Astrophysics Data System (ADS)

    Ayala, Alicia

    YBa2Cu3O7-delta (YBCO) coated conductors are promising materials for large-scale superconductivity applications. One version of a YBCO coated conductor is based on ion beam assisted deposition (IBAD) of magnesium oxide (MgO) onto polycrystalline metal substrates. SrTiO3 (STO) is often deposited by physical vapor deposition (PVD) methods as a buffer layer between the YBCO and IBAD MgO due to its chemical stability and lattice mismatch of only ˜1.5% with YBCO. In this work, some aspects of the stability of STO with respect to copper (Cu) and chemical solution deposition of STO on IBAD MgO templates were examined. Solubility limits of Cu in STO were established by processing Cu-doped STO powders by conventional bulk preparation techniques. The maximum solubility of Cu in STO was ˜1% as determined by transmission electron microscopy (TEM) and Rietveld refinements of x-ray diffraction (XRD) data. XRD analysis, performed in collaboration with NIST, on powder compositions on the STO/SrCuO 2 tie line did not identify any ternary phases. SrCu0.10Ti0.90Oy buffer layers were prepared by pulsed laser deposition (PLD) and CSD on IBAD MgO flexible metallic textured tapes. TEM analysis of a ˜100 nm thick SrCu0.10Ti 0.90Oy buffer layer deposited by PLD showed a smooth Cu-doped STO/MgO interface. A ˜600 nm thick YBCO film, deposited onto the SrCu 0.10Ti0.90Oy buffer by PLD, exhibited a T c of 87 K and critical current density (Jc) of ˜1 MA/cm 2. STO and Cu-doped STO thin films by CSD were ˜30 nm thick. The in plane alignment (FWHM) after deposition of the STO improved by ˜1° while it degraded by ˜2° with the SrCu0.05TiOy buffer. YBCO was deposited by PLD on the STO and SrCu0.05TiO y buffers. The in plane alignment (FWHM) of the YBCO with the STO buffer layer slightly improved while that of the YBCO with the SrCu0.05TiO y buffer layer remained constant. A goal of the CSD approach to fabrication of coated conductors is process simplicity. In this study, single layer

  20. Diffusion Research in BCC Ti-Al-Mo Ternary Alloys

    NASA Astrophysics Data System (ADS)

    Chen, Yi; Tang, Bin; Xu, Guanglong; Wang, Chuanyun; Kou, Hongchao; Li, Jinshan; Cui, Yuwen

    2014-04-01

    Interdiffusion in Ti-Al-Mo β solid solution was investigated at 1523 K (1250 °C) by analyzing diffusion couples. From the concentration profiles analytically represented by error function expansion (ERFEX), the ternary interdiffusion coefficients and impurity diffusivity were extracted by the Whittle-Green and generalized Hall methods. A comparison of the diffusion in five Ti-Al-X (Co, Cr, Fe, Mo, and V) ternaries reveals Ti-Al-Mo is comparably like Ti-Al-(Cr, V) while Ti-Al-(Co, Fe) are predominantly of interstitial nature.

  1. The interaction strengths and spectroscopy parameters of the C2H2∙∙∙HX and HCN∙∙∙HX complexes (X = F, Cl, CN, and CCH) and related ternary systems valued by fluxes of charge densities: QTAIM, CCFO, and NBO calculations.

    PubMed

    Viana, Marco A A; Araújo, Regiane C M U; Neto, José A Maia; Chame, Henrique C; Pereira, Arquimedes M; Oliveira, Boaz G

    2017-04-01

    This theoretical work exhibits a new systematic study of structural parameters, electronic properties, infrared vibration modes, and molecular topography of hydrogen complexes, namely linear-type HCN⋯HX and T-type C2H2⋯HX (X = F, Cl, CN, and CCH). Ideally, the knowledge of the ternary systems of C2H2⋯HCN⋯HF and HCN⋯HCN⋯HF whose subparts integrate the linear and T-shaped complexes were used to give support in this current research. By means of computational calculations carried out in both levels B3LYP and MP2, the variations of the HX bond lengths are clearly overestimated in the HCN⋯HX linear complexes. In agreement with the analyses of the electrostatic potentials, the higher intermolecular energies of these complexes agree with the larger red-shifts in the stretch frequencies in HX. Also, the QTAIM descriptors and NBO calculations were used to inspect the interaction strength as well as to confirm the π cloud as a proton accepting center. By taking into account the absorption intensity ratio as a standard parameter to predict the interaction strength and intermolecular characterization, the formalism of the charge-charge flux-overlap modified (CCFO) was applied.

  2. Ternary eutectic dendrites: Pattern formation and scaling properties.

    PubMed

    Rátkai, László; Szállás, Attila; Pusztai, Tamás; Mohri, Tetsuo; Gránásy, László

    2015-04-21

    Extending previous work [Pusztai et al., Phys. Rev. E 87, 032401 (2013)], we have studied the formation of eutectic dendrites in a model ternary system within the framework of the phase-field theory. We have mapped out the domain in which two-phase dendritic structures grow. With increasing pulling velocity, the following sequence of growth morphologies is observed: flat front lamellae → eutectic colonies → eutectic dendrites → dendrites with target pattern → partitionless dendrites → partitionless flat front. We confirm that the two-phase and one-phase dendrites have similar forms and display a similar scaling of the dendrite tip radius with the interface free energy. It is also found that the possible eutectic patterns include the target pattern, and single- and multiarm spirals, of which the thermal fluctuations choose. The most probable number of spiral arms increases with increasing tip radius and with decreasing kinetic anisotropy. Our numerical simulations confirm that in agreement with the assumptions of a recent analysis of two-phase dendrites [Akamatsu et al., Phys. Rev. Lett. 112, 105502 (2014)], the Jackson-Hunt scaling of the eutectic wavelength with pulling velocity is obeyed in the parameter domain explored, and that the natural eutectic wavelength is proportional to the tip radius of the two-phase dendrites. Finally, we find that it is very difficult/virtually impossible to form spiraling two-phase dendrites without anisotropy, an observation that seems to contradict the expectations of Akamatsu et al. Yet, it cannot be excluded that in isotropic systems, two-phase dendrites are rare events difficult to observe in simulations.

  3. Ternary eutectic dendrites: Pattern formation and scaling properties

    SciTech Connect

    Rátkai, László; Szállás, Attila; Pusztai, Tamás; Mohri, Tetsuo; Gránásy, László

    2015-04-21

    Extending previous work [Pusztai et al., Phys. Rev. E 87, 032401 (2013)], we have studied the formation of eutectic dendrites in a model ternary system within the framework of the phase-field theory. We have mapped out the domain in which two-phase dendritic structures grow. With increasing pulling velocity, the following sequence of growth morphologies is observed: flat front lamellae → eutectic colonies → eutectic dendrites → dendrites with target pattern → partitionless dendrites → partitionless flat front. We confirm that the two-phase and one-phase dendrites have similar forms and display a similar scaling of the dendrite tip radius with the interface free energy. It is also found that the possible eutectic patterns include the target pattern, and single- and multiarm spirals, of which the thermal fluctuations choose. The most probable number of spiral arms increases with increasing tip radius and with decreasing kinetic anisotropy. Our numerical simulations confirm that in agreement with the assumptions of a recent analysis of two-phase dendrites [Akamatsu et al., Phys. Rev. Lett. 112, 105502 (2014)], the Jackson-Hunt scaling of the eutectic wavelength with pulling velocity is obeyed in the parameter domain explored, and that the natural eutectic wavelength is proportional to the tip radius of the two-phase dendrites. Finally, we find that it is very difficult/virtually impossible to form spiraling two-phase dendrites without anisotropy, an observation that seems to contradict the expectations of Akamatsu et al. Yet, it cannot be excluded that in isotropic systems, two-phase dendrites are rare events difficult to observe in simulations.

  4. Mathematical methods for restricted domain ternary liquid mixture free energy determination using light scattering

    NASA Astrophysics Data System (ADS)

    Wahle, Chris W.; Ross, David S.; Thurston, George M.

    2013-09-01

    We extend methods of solution of a light scattering partial differential equation for the free energy of mixing to apply to connected, isotropic ternary liquid composition domains that do not touch all three binary axes. To do so we mathematically analyze the problem of inferring needed Dirichlet boundary data, and solving for the free energy, with use of hypothetical static light scattering measurements that correspond to dielectric composition gradient vectors that have distinct directions. The physical idea behind the technique is that contrasting absorption properties of mixture components can result in such distinctly directed dielectric composition gradient vectors, due to their differing wavelength dependences of dielectric response. At suitably chosen wavelengths, contrasting light scattering efficiency patterns in the ternary composition triangle can then correspond to the same underlying free energy, and enlarge the scope of available information about the free energy, as shown here. We show how to use distinctly directed dielectric gradients to measure the free energy on both straight lines and curves within the ternary composition triangle, so as to provide needed Dirichlet conditions for light scattering partial differential equation solution. With use of Monte Carlo simulations of noisy light scattering data, we provide estimates of the overall system measurement time and sample spacing needed to determine the free energy to a desired degree of accuracy, for various angles between the assumed dielectric gradient vectors, and indicate how the measurement time depends on instrumental throughput parameters. The present analysis methods provide a way to use static light scattering to measure, directly, mixing free energies of many systems that contain such restricted liquid domains, including aqueous solutions of biological macromolecules, micellar mixtures and microemulsions, and many small molecule systems that are important in separation technology.

  5. Mathematical methods for restricted domain ternary liquid mixture free energy determination using light scattering.

    PubMed

    Wahle, Chris W; Ross, David S; Thurston, George M

    2013-09-28

    We extend methods of solution of a light scattering partial differential equation for the free energy of mixing to apply to connected, isotropic ternary liquid composition domains that do not touch all three binary axes. To do so we mathematically analyze the problem of inferring needed Dirichlet boundary data, and solving for the free energy, with use of hypothetical static light scattering measurements that correspond to dielectric composition gradient vectors that have distinct directions. The physical idea behind the technique is that contrasting absorption properties of mixture components can result in such distinctly directed dielectric composition gradient vectors, due to their differing wavelength dependences of dielectric response. At suitably chosen wavelengths, contrasting light scattering efficiency patterns in the ternary composition triangle can then correspond to the same underlying free energy, and enlarge the scope of available information about the free energy, as shown here. We show how to use distinctly directed dielectric gradients to measure the free energy on both straight lines and curves within the ternary composition triangle, so as to provide needed Dirichlet conditions for light scattering partial differential equation solution. With use of Monte Carlo simulations of noisy light scattering data, we provide estimates of the overall system measurement time and sample spacing needed to determine the free energy to a desired degree of accuracy, for various angles between the assumed dielectric gradient vectors, and indicate how the measurement time depends on instrumental throughput parameters. The present analysis methods provide a way to use static light scattering to measure, directly, mixing free energies of many systems that contain such restricted liquid domains, including aqueous solutions of biological macromolecules, micellar mixtures and microemulsions, and many small molecule systems that are important in separation technology.

  6. Conversion of Cartesian coordinates from and to Generalized Balanced Ternary addresses

    USGS Publications Warehouse

    van Roessel, Jan W.

    1988-01-01

    Hexagonal grids have several advantages over square grids, such as a greater angular resolution and unambiguous connectivity. The Generalized Balanced Ternary (GBT) system is a spatial addressing method for hexagonal grids in which the hexagons are arranged in hierarchical aggregates, and which accommodates vector operations in GBT space. Efficient algorithms for converting Cartesian coordinates from and to GBT addresses are based on the dual representation of the hexagonal tessellation. The GBT-to-Cartesian algorithm is an order of magnitude faster than the Cartesian-to-GBT algorithm, the latter requiring interpolation and GBT addition for each digit of the generated GBT address.

  7. Electron-spectroscopic investigations on ternary HFS: CeT 2X 2

    NASA Astrophysics Data System (ADS)

    Schmied, B.; Wilhelm, M.; Kübler, U.; Getzlaff, M.; Fecher, G. H.; Schönhense, G.

    1997-02-01

    Investigations of the electronic properties were carried out for ternary Ce-based heavy fermion systems. The well-ordered surfaces of HFS were prepared by MBE on W (110) with subsequent annealing. The layers are characterised by MEED, LEED, AES and XPS. For the electron-spectroscopic investigations, ARUPS and SPEELS were used. In the photoemission spectra, dispersion effects could be detected. By means of SPEELS, the dipole-forbidden Ce f-f transitions could be observed. The comparison of the energy loss spectra above and below the characteristic temperature T ∗ reveals differences in the energy losses as well as in the asymmetries.

  8. Monte Carlo simulation of Prussian blue analogs described by Heisenberg ternary alloy model

    NASA Astrophysics Data System (ADS)

    Yüksel, Yusuf

    2015-11-01

    Within the framework of Monte Carlo simulation technique, we simulate magnetic behavior of Prussian blue analogs based on Heisenberg ternary alloy model. We present phase diagrams in various parameter spaces, and we compare some of our results with those based on Ising counterparts. We clarify the variations of transition temperature and compensation phenomenon with mixing ratio of magnetic ions, exchange interactions, and exchange anisotropy in the present ferro-ferrimagnetic Heisenberg system. According to our results, thermal variation of the total magnetization curves may exhibit N, L, P, Q, R type behaviors based on the Néel classification scheme.

  9. A Simple Refraction Experiment for Probing Diffusion in Ternary Mixtures

    ERIC Educational Resources Information Center

    Coutinho, Cecil A.; Mankidy, Bijith D.; Gupta, Vinay K.

    2010-01-01

    Diffusion is a fundamental phenomenon that is vital in many chemical processes such as mass transport in living cells, corrosion, and separations. We describe a simple undergraduate-level experiment based on Weiner's Method to probe diffusion in a ternary aqueous mixture of small molecular-weight molecules. As an illustration, the experiment…

  10. [Use of ternary algebra in the analysis of medical data].

    PubMed

    Bernard, M J

    1976-01-05

    Logical methods are most valuable in the field of Medicine. They are usually based on Boolean algebra and can thus only deal with binary data) (Present)/(Absent)). Use of ternary algebra opens the way to treatment of the triple-state variables ((Present)/(absent)/(Don't know)) frequently encountered in medical context.

  11. Making Ternary Quantum Dots From Single-Source Precursors

    NASA Technical Reports Server (NTRS)

    Bailey, Sheila; Banger, Kulbinder; Castro, Stephanie; Hepp, Aloysius

    2007-01-01

    A process has been devised for making ternary (specifically, CuInS2) nanocrystals for use as quantum dots (QDs) in a contemplated next generation of high-efficiency solar photovoltaic cells. The process parameters can be chosen to tailor the sizes (and, thus, the absorption and emission spectra) of the QDs.

  12. Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

    ERIC Educational Resources Information Center

    Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.

    2006-01-01

    A laboratory experiment is presented for the upper-level undergraduate physical chemistry curriculum in which the ternary phase diagram of water, 1-propanol and n-heptane is measured using proton nuclear magnetic resonance (NMR) spectroscopy. The experiment builds upon basic concepts of NMR spectral analysis, typically taught in the undergraduate…

  13. A Simple Refraction Experiment for Probing Diffusion in Ternary Mixtures

    ERIC Educational Resources Information Center

    Coutinho, Cecil A.; Mankidy, Bijith D.; Gupta, Vinay K.

    2010-01-01

    Diffusion is a fundamental phenomenon that is vital in many chemical processes such as mass transport in living cells, corrosion, and separations. We describe a simple undergraduate-level experiment based on Weiner's Method to probe diffusion in a ternary aqueous mixture of small molecular-weight molecules. As an illustration, the experiment…

  14. Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

    ERIC Educational Resources Information Center

    Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.

    2006-01-01

    A laboratory experiment is presented for the upper-level undergraduate physical chemistry curriculum in which the ternary phase diagram of water, 1-propanol and n-heptane is measured using proton nuclear magnetic resonance (NMR) spectroscopy. The experiment builds upon basic concepts of NMR spectral analysis, typically taught in the undergraduate…

  15. Ternary diffusion path in terms of eigenvalues and eigenvectors

    NASA Astrophysics Data System (ADS)

    Ram-Mohan, L. R.; Dayananda, Mysore A.

    2016-04-01

    Based on the transfer matrix methodology, a new analysis is presented for the description of slopes of the ternary diffusion path for a solid-solid diffusion couple. Concentration profiles and diffusion paths for isothermal, ternary diffusion couples are examined in the context of eigenvalues and eigenvectors obtained from the diagonalisation of the ? ternary interdiffusion coefficients employed for their representation. New relations are derived relating the decoupled interdiffusion fluxes to combinations of concentration gradients through the major and minor eigenvalues, and the diffusion path becomes parallel to the major eigenvector at each path end. General expressions for the slope of the ternary diffusion path at any section of the couple are also derived in terms of eigenvalue and eigenvector parameters. Expressions for the path slope at the Matano plane involve only concentrations, major and minor eigenvalues and eigenvector parameters. New constraints relating the eigenvalues and the concentration gradients of the individual components are also presented at selected sections, where the diffusion path is parallel to the straight line joining the terminal composition points on an isotherm. Applications of the various relations are illustrated with the aid of a hypothetical couple and an experimental Cu-Ni-Zn diffusion couple.

  16. Interdiffusion in Ternary Magnesium Solid Solutions of Aluminum and Zinc

    SciTech Connect

    Kammerer, Catherine; Kulkarni, Nagraj S; Warmack, Robert J Bruce; Sohn, Yong Ho

    2016-01-11

    Al and Zn are two of the most common alloying elements in commercial Mg alloys, which can improve the physical properties through solid solution strengthening and precipitation hardening. Diffusion plays a key role in the kinetics of these and other microstructural design relevant to Mg-alloy development. However, there is a lack of multicomponent diffusion data available for Mg alloys. Through solid-to-solid diffusion couples, diffusional interactions of Al and Zn in ternary Mg solid-solution at 400° and 450 °C were examined by an extension of the Boltzmann-Matano analysis based on Onsager s formalism. Concentration profiles of Mg-Al-Zn ternary alloys were determined by electron probe microanalysis, and analyzed to determine the ternary interdiffusion coefficients as a function of composition. Zn was determined to interdiffuse the fastest, followed by Mg and Al. Appreciable diffusional interactions among Mg, Al, and Zn were observed by variations in sign and magnitude of cross interdiffusion coefficients. In particular, Zn was found to significantly influence the interdiffusion of Mg and Al significantly: the and ternary cross interdiffusion coefficients were both negative, and large in magnitude, in comparison to and , respectively. Al and Mg were observed influence the interdiffusion of Mg and Al, respectively, with positive and interdiffusion coefficients, but their influence on the Zn interdiffusion was negligible.

  17. Interdiffusion in Ternary Magnesium Solid Solutions of Aluminum and Zinc

    DOE PAGES

    Kammerer, Catherine; Kulkarni, Nagraj S; Warmack, Robert J Bruce; ...

    2016-01-11

    Al and Zn are two of the most common alloying elements in commercial Mg alloys, which can improve the physical properties through solid solution strengthening and precipitation hardening. Diffusion plays a key role in the kinetics of these and other microstructural design relevant to Mg-alloy development. However, there is a lack of multicomponent diffusion data available for Mg alloys. Through solid-to-solid diffusion couples, diffusional interactions of Al and Zn in ternary Mg solid-solution at 400° and 450 °C were examined by an extension of the Boltzmann-Matano analysis based on Onsager s formalism. Concentration profiles of Mg-Al-Zn ternary alloys were determinedmore » by electron probe microanalysis, and analyzed to determine the ternary interdiffusion coefficients as a function of composition. Zn was determined to interdiffuse the fastest, followed by Mg and Al. Appreciable diffusional interactions among Mg, Al, and Zn were observed by variations in sign and magnitude of cross interdiffusion coefficients. In particular, Zn was found to significantly influence the interdiffusion of Mg and Al significantly: the and ternary cross interdiffusion coefficients were both negative, and large in magnitude, in comparison to and , respectively. Al and Mg were observed influence the interdiffusion of Mg and Al, respectively, with positive and interdiffusion coefficients, but their influence on the Zn interdiffusion was negligible.« less

  18. Wurtzite-derived ternary I-III-O2 semiconductors.

    PubMed

    Omata, Takahisa; Nagatani, Hiraku; Suzuki, Issei; Kita, Masao

    2015-04-01

    Ternary zincblende-derived I-III-VI2 chalcogenide and II-IV-V2 pnictide semiconductors have been widely studied and some have been put to practical use. In contrast to the extensive research on these semiconductors, previous studies into ternary I-III-O2 oxide semiconductors with a wurtzite-derived β-NaFeO2 structure are limited. Wurtzite-derived β-LiGaO2 and β-AgGaO2 form alloys with ZnO and the band gap of ZnO can be controlled to include the visible and ultraviolet regions. β-CuGaO2, which has a direct band gap of 1.47 eV, has been proposed for use as a light absorber in thin film solar cells. These ternary oxides may thus allow new applications for oxide semiconductors. However, information about wurtzite-derived ternary I-III-O2 semiconductors is still limited. In this paper we review previous studies on β-LiGaO2, β-AgGaO2 and β-CuGaO2 to determine guiding principles for the development of wurtzite-derived I-III-O2 semiconductors.

  19. Wurtzite-derived ternary I–III–O2 semiconductors

    PubMed Central

    Nagatani, Hiraku; Suzuki, Issei; Kita, Masao

    2015-01-01

    Ternary zincblende-derived I–III–VI2 chalcogenide and II–IV–V2 pnictide semiconductors have been widely studied and some have been put to practical use. In contrast to the extensive research on these semiconductors, previous studies into ternary I–III–O2 oxide semiconductors with a wurtzite-derived β-NaFeO2 structure are limited. Wurtzite-derived β-LiGaO2 and β-AgGaO2 form alloys with ZnO and the band gap of ZnO can be controlled to include the visible and ultraviolet regions. β-CuGaO2, which has a direct band gap of 1.47 eV, has been proposed for use as a light absorber in thin film solar cells. These ternary oxides may thus allow new applications for oxide semiconductors. However, information about wurtzite-derived ternary I–III–O2 semiconductors is still limited. In this paper we review previous studies on β-LiGaO2, β-AgGaO2 and β-CuGaO2 to determine guiding principles for the development of wurtzite-derived I–III–O2 semiconductors. PMID:27877769

  20. Structure and electronic properties of conducting, ternary TixTa1-xN films

    NASA Astrophysics Data System (ADS)

    Matenoglou, G. M.; Lekka, Ch. E.; Koutsokeras, L. E.; Karras, G.; Kosmidis, C.; Evangelakis, G. A.; Patsalas, P.

    2009-05-01

    We report on the electronic structure and optical properties of conducting ternary transition metal nitrides consisting of metals of different groups of the periodic table of elements. For the study of the bonding, electronic structure, and optical properties of conducting TixTa1-xN film growth, optical spectroscopy and ab initio calculations were used. Despite the different valence electron configuration of the constituent elements, Ta(d3s2) and Ti(d2s2), we show that TiN and TaN are completely soluble due to the hybridization of the d and sp electrons of the metals and N, respectively, that stabilizes the ternary TixTa1-xN systems to the rocksalt structure. The optical properties of TixTa1-xN have been studied using spectroscopic methods and detailed electronic structure calculations, revealing that the plasma energy of the fully dense TixTa1-xN is varying between 7.8 and 9.45 eV. Additional optical absorption bands are manifested due to the N p →Ti/Ta d interband transition the t2g→eg transition due to splitting of the metals' d band, with the major exception of the Ti0.50Ta0.50N, where the eg unoccupied states are not manifested due to the local structure of the ternary system; this finding is observed for the first time and proves previous assignments of optical transitions in TaN.

  1. The use of acoustic spectroscopy in the characterisation of ternary phase diagrams.

    PubMed

    Bonacucina, Giulia; Cespi, Marco; Mencarelli, Giovanna; Casettari, Luca; Palmieri, Giovanni F

    2013-01-30

    This study shows novel and interesting applications of acoustic spectroscopy for characterisation of ternary systems such as isopropylmiristate (IPM)/polysorbate 80 (T)/water (W). Particle size and microrheological extensional moduli (i.e. G' and G″) of different systems were determined by means of acoustic parameters such as sound attenuation and speed. Electric conductivity was also measured using the same instrument. The ultrasonic profile in terms of attenuation and sound speed in the megahertz frequency range, allowed the characterisation of the different zones of the ternary diagram such as microemulsion, emulsion and gel zones, as well as the evaluation of water state and particle size. This last parameter is a very effective tool in quantifying the phase transitions of systems and understanding which system is formed in any phase diagram zone. In fact, it is possible to analyse samples without dilution and despite their degree of turbidity, allowing complete characterisation of both properties and structure. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Ultrasonic and IR study of intermolecular association through hydrogen bonding in ternary liquid mixtures.

    PubMed

    Awasthi, Aashees; Shukla, J P

    2003-08-01

    Complex formation in ternary liquid mixtures of dimethylsulfoxide (DMSO) with phenol and o-cresol in carbontetrachloride has been studied by measuring ultrasonic velocity at 2 MHz, in the concentration range of 0.019-0.162 (in mole fraction of DMSO) at varying temperatures of 20, 30 and 40 degrees C. Using measured values of ultrasonic velocity, other parameters such as adiabatic compressibility, intermolecular free length, molar sound velocity, molar compressibility, specific acoustic impedance and molar volume have been evaluated. These parameters have been utilized to study the solute-solute interactions in these systems. The ultrasonic velocity shows a maxima and adiabatic compressibility a corresponding minima as a function of concentration for these mixtures. The results indicate the occurrence of complex formation between unlike molecules through intermolecular hydrogen bonding between oxygen atom of DMSO molecule and hydrogen atom of phenol and o-cresol molecules. The excess values of adiabatic compressibility and intermolecular free length have also been evaluated. The variation of both these parameters with concentration also indicates the possibility of the complex formation in these systems. Further, to investigate the presence of O-HO bond complexes and the strength of molecular association with concentrations, the infrared spectra of both the systems, DMSO-phenol and DMSO-o-cresol, have been recorded for various concentrations at room temperature (20 degrees C). The results obtained using infrared spectroscopy for both the systems also support the occurrence of complex formation through intermolecular hydrogen bonding in these ternary liquid mixtures.

  3. Isothermal sections of the quasi-ternary systems Ag{sub 2}S(Se)–Ga{sub 2}S(Se){sub 3}–In{sub 2}S(Se){sub 3} at 820 K and the physical properties of the ternary phases Ga{sub 5.5}In{sub 4.5}S{sub 15}, Ga{sub 6}In{sub 4}Se{sub 15} and Ga{sub 5.5}In{sub 4.5}S{sub 15}:Er{sup 3+}, Ga{sub 6}In{sub 4}Se{sub 15}:Er{sup 3+}

    SciTech Connect

    Ivashchenko, I.A.; Danyliuk, I.V.; Gulay, L.D.; Halyan, V.V.; Olekseyuk, I.D.

    2016-05-15

    Isothermal sections of the quasi-ternary systems Ag{sub 2}S(Se)–Ga{sub 2}S(Se){sub 3}–In{sub 2}S(Se){sub 3} at 820 K were compared. Along the 50 mol% Ag{sub 2}S(Se), both systems feature continuous solid solutions with the chalcopyrite structure. Along the 17 mol% Ag{sub 2}S(Se), the interactions at the AgIn{sub 5}S(Se){sub 8}–'AgGa{sub 5}S(Se){sub 8}' sections are different. In the Ag{sub 2}S–Ga{sub 2}S{sub 3}–In{sub 2}S{sub 3} system the existence of the layered phase AgGa{sub x}In{sub 5–x}S{sub 8}, 2.25≤x≤2.85, was confirmed (S.G. P6{sub 3}mc). The Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} system features the formation of solid solution (up to 53 mol% Ga{sub 2}Se{sub 3}) based on AgIn{sub 5}Se{sub 8} (S.G. P-42m). Crystal structure, atomic coordinates were determined by powder diffraction method for samples from the homogeneity region of AgIn{sub 5}Se{sub 8}. Specific conductivities of the crystals Ga{sub 6}In{sub 4}Se{sub 15} (1.33·10{sup −6} Ω{sup −1} m{sup −1}), Ga{sub 5.94}In{sub 3.96}Er{sub 0.1}Se{sub 15} (3.17·10{sup −6} Ω{sup −1} m{sup −1}), Ga{sub 5.5}In{sub 4.5}S{sub 15} (7.94·10{sup −6} Ω{sup −1} m{sup −1}), Ga{sub 5.46}In{sub 4.47}Er{sub 0.07}S{sub 15} (1·10{sup −9} Ω{sup −1} m{sup −1}) were measured at room temperature. Optical absorption and photoconductivity spectra were recorded in the range 400–760 nm. The introduction of erbium leads to an increase in the absorption coefficient and to the appearance of absorption bands at 530, 660, 810, 980, 1530 nm. - Highlights: • Nature of solid solutions in Ag{sub 2}S(Se)–Ga{sub 2}S(Se){sub 3}–In{sub 2}S(Se){sub 3} (820 K) were discussed. • Crystal structures of ternary and quaternary compounds were discussed. • Specific conductivity, optical properties of four single crystals were measured. • Photoconductivity of the Ga{sub 5.5}In{sub 4.5}S{sub 15} in the range 400–760 nm were recorded.

  4. Chemical composition of matrix-embedded ternary II-VI nanocrystals derived from first- and second-order Raman spectra

    NASA Astrophysics Data System (ADS)

    Azhniuk, Yu. M.; Hutych, Yu. I.; Lopushansky, V. V.; Prymak, M. V.; Gomonnai, A. V.; Zahn, D. R. T.

    2016-12-01

    A one- and multiphonon Raman scattering study is performed for an extensive set of CdS1-xSex, Cd1-yZnyS, Cd1-yZnySe, and CdSe1-xTex nanocrystals to investigate the applicability of first- and second-order Raman spectra for the determination of the matrix-embedded ternary nanocrystal composition. For one-mode ternary systems both the LO and 2LO phonon frequencies in the Raman spectra are shown to be a good measure of the nanocrystal composition. For two-mode systems, the approaches based on the difference of the LO phonon frequencies (first-order Raman spectra) or double LO overtone and combination tone frequencies (second-order Raman spectra) as well as on the LO phonon band intensity ratios are analysed. The weak electron-phonon coupling in the II-VI nanocrystals and the polaron constant values for the nanocrystal sublattices are discussed.

  5. Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures.

    PubMed

    Pantelopulos, George A; Nagai, Tetsuro; Bandara, Asanga; Panahi, Afra; Straub, John E

    2017-09-07

    Model cellular membranes are known to form micro- and macroscale lipid domains dependent on molecular composition. The formation of macroscopic lipid domains by lipid mixtures has been the subject of many simulation investigations. We present a critical study of system size impact on lipid domain phase separation into liquid-ordered and liquid-disordered macroscale domains in ternary lipid mixtures. In the popular di-C16:0 PC:di-C18:2 PC:cholesterol at 35:35:30 ratio mixture, we find systems with a minimum of 1480 lipids to be necessary for the formation of macroscopic phase separated domains and systems of 10 000 lipids to achieve structurally converged conformations similar to the thermodynamic limit. To understand these results and predict the behavior of any mixture forming two phases, we develop and investigate an analytical Flory-Huggins model which is recursively validated using simulation and experimental data. We find that micro- and macroscale domains can coexist in ternary mixtures. Additionally, we analyze the distributions of specific lipid-lipid interactions in each phase, characterizing domain structures proposed based on past experimental studies. These findings offer guidance in selecting appropriate system sizes for the study of phase separations and provide new insights into the nature of domain structure for a popular ternary lipid mixture.

  6. Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures

    NASA Astrophysics Data System (ADS)

    Pantelopulos, George A.; Nagai, Tetsuro; Bandara, Asanga; Panahi, Afra; Straub, John E.

    2017-09-01

    Model cellular membranes are known to form micro- and macroscale lipid domains dependent on molecular composition. The formation of macroscopic lipid domains by lipid mixtures has been the subject of many simulation investigations. We present a critical study of system size impact on lipid domain phase separation into liquid-ordered and liquid-disordered macroscale domains in ternary lipid mixtures. In the popular di-C16:0 PC:di-C18:2 PC:cholesterol at 35:35:30 ratio mixture, we find systems with a minimum of 1480 lipids to be necessary for the formation of macroscopic phase separated domains and systems of 10 000 lipids to achieve structurally converged conformations similar to the thermodynamic limit. To understand these results and predict the behavior of any mixture forming two phases, we develop and investigate an analytical Flory-Huggins model which is recursively validated using simulation and experimental data. We find that micro- and macroscale domains can coexist in ternary mixtures. Additionally, we analyze the distributions of specific lipid-lipid interactions in each phase, characterizing domain structures proposed based on past experimental studies. These findings offer guidance in selecting appropriate system sizes for the study of phase separations and provide new insights into the nature of domain structure for a popular ternary lipid mixture.

  7. Molecular design and MD simulations of epitaxial superlattice of self-assembling ternary lipid bilayers

    NASA Astrophysics Data System (ADS)

    Chou, George; Vaughn, Mark; Cheng, K.

    2011-10-01

    Multicomponent lipid bilayers represent an important model system for studying cell membranes. At present, an ordered multicomponent phospholipid/cholesterol bilayer system involving charged lipid is still not available. Using a lipid superlattice (SL) model, a 13 x 15 x 15 nm^3 ternary phosphatidylcholine/phosphatidylserine/cholesterol bilayer system in water with simultaneous headgroup SL and acyl chain SL at different depths, or epitaxial SL, of the bilayer has been designed with atomistic detail. The arrangements of this epitaxial SL system were optimized by only two molecular parameters, lattice space and rotational angle of the lipids. Using atomistic MD simulations, we demonstrated the stability of the ordered structures for more than 100 ns. A positional restrained system was also used as a control. This system will provide new insights into understanding the nanodomain structures of cell membranes at the molecular level.

  8. Synthesis and characterization of some binary and ternary zirconium iodides

    SciTech Connect

    Guthrie, D.H.

    1981-10-01

    Studies of binary ZrI/sub 4/-Zr and ternary CsI-Zr-ZrI/sub 4/ systems have produced several new compounds. The new binary compounds include two polymorphs of ZrI/sub 2/ (..cap alpha.. and ..beta..) as well as a phase described earlier as ZrI/sub 1/ /sub 8/. ..cap alpha..-ZrI/sub 2/ forms as black lath-like crystals by vapor phase transport reactions between Zr and ZrI/sub 4/ from 700 to 825/sup 0/C. Its structure is monoclinic space group P2/sub 1//m with a = 6.821(2), b = 3.741(1), c = 14.937(3) A and ..beta.. = 95.66(3)/sup 0/, Z = 4 (R = 0.064). ..beta..-ZrI/sub 2/ is formed as black gem-like crystals between 800 to 975/sup 0/C, crystallizing in the trigonal space group R anti 3 with hexagonal axes a = 14.502(2) and c = 9.996(2) A, Z = 18 (R = 0.109). This phase contains a Zr/sub 6/I/sub 12/ cluster. Guinier x-ray powder diffraction data previously reported for ZrI/sub 1/ /sub 8/ has now been found to arise from ..cap alpha..-ZrI/sub 2/ intergrown with an orthorhombic ZrI/sub 2/ phase (perhaps isostructural with WTe/sub 2/ plus an unknown phase. The ternary compounds include Cs/sub 2/ZrI/sub 6/, Cs/sub 3/Zr/sub 2/T/sub 9/ and CsZr/sub 6/I/sub 14/. The first is isostructural with K/sub 2/PtCl/sub 6/. Cs/sub 3/Zr/sub 2/I/sub 9/ is formed from the reaction of CsI, ZrI/sub 4/ and Zr between 700 to 900/sup 0/C as black gem-like crystals which crystallize in the space group P6/sub 3//mmc with a = 8.269(1) and c = 19.908(3) A, z = 2. This phase was found to have a Cs/sub 3/Cr/sub 2/Cl/sub 9/-type structure, d/sub Zr-Zr/ = 3.134(4) A (R = 0.087). CsZr/sub 6/I/sub 14/ forms both rod and gem crystals by the same reaction with more metal between 900 to 950/sup 0/C. It crystallizes in the orthorhombic space group Ccmb with a = 14.275(4), b = 15.880(4) and c = 12.953 (4) A (R = 0.062). This phase also contains a Zr/sub 6/I/sub 12/ cluster.

  9. Development of ternary alloy cathode catalysts for phosphoric acid fuel cells: Final report

    SciTech Connect

    Jalan, V.; Kosek, J.; Giner, J.; Taylor, E. J.; Anderson, E.; Bianchi, V.; Brooks, C.; Cahill, K.; Cropley, C.; Desai, M.; Frost, D.; Morriseau, B.; Paul, B.; Poirier, J.; Rousseau, M.; Swette, L.; Waterhouse, R.

    1988-11-01

    The overall objective of the program was the identification development and incorporation of high activity platinum ternary alloys on corrosion resistant supports, for use in advanced phosphoric acid fuel cells. Two high activity ternary alloys, Pr-Cr-Ce and Pt-Ni-Co, both supported on Vulcan XC-72, were identified during the course of the program. The Pr-Ni-Co system was selected for optimization, including preparation and evaluation on corrosion resistant supports such as 2700/degree/C heat-treated Vulcan XC-72 and 2700/degree/ heat-treated Black Pearls 2000. A series of tests identified optimum metal ratios, heat-treatment temperatures and heat-treatment atmospheres for the Pr-Ni-Co system. During characterization testing, it was discovered that approximately 50% of the nickel and cobalt present in the starting material could be removed, subsequent to alloy formation, without degrading performance. Extremely stable full cell performance was observed for the Pt-Ni-Co system during a 10,000 hour atmosphere pressure life test. Several theories are proposed to explain the enhancement in activity due to alloy formation. Recommendations are made for future research in this area. 62 refs., 23 figs., 27 tabs.

  10. Towards a ternary NIRS-BCI: single-trial classification of verbal fluency task, Stroop task and unconstrained rest

    NASA Astrophysics Data System (ADS)

    Schudlo, Larissa C.; Chau, Tom

    2015-12-01

    Objective. The majority of near-infrared spectroscopy (NIRS) brain-computer interface (BCI) studies have investigated binary classification problems. Limited work has considered differentiation of more than two mental states, or multi-class differentiation of higher-level cognitive tasks using measurements outside of the anterior prefrontal cortex. Improvements in accuracies are needed to deliver effective communication with a multi-class NIRS system. We investigated the feasibility of a ternary NIRS-BCI that supports mental states corresponding to verbal fluency task (VFT) performance, Stroop task performance, and unconstrained rest using prefrontal and parietal measurements. Approach. Prefrontal and parietal NIRS signals were acquired from 11 able-bodied adults during rest and performance of the VFT or Stroop task. Classification was performed offline using bagging with a linear discriminant base classifier trained on a 10 dimensional feature set. Main results. VFT, Stroop task and rest were classified at an average accuracy of 71.7% ± 7.9%. The ternary classification system provided a statistically significant improvement in information transfer rate relative to a binary system controlled by either mental task (0.87 ± 0.35 bits/min versus 0.73 ± 0.24 bits/min). Significance. These results suggest that effective communication can be achieved with a ternary NIRS-BCI that supports VFT, Stroop task and rest via measurements from the frontal and parietal cortices. Further development of such a system is warranted. Accurate ternary classification can enhance communication rates offered by NIRS-BCIs, improving the practicality of this technology.

  11. Towards a ternary NIRS-BCI: single-trial classification of verbal fluency task, Stroop task and unconstrained rest.

    PubMed

    C Schudlo, Larissa; Chau, Tom

    2015-12-01

    The majority of near-infrared spectroscopy (NIRS) brain-computer interface (BCI) studies have investigated binary classification problems. Limited work has considered differentiation of more than two mental states, or multi-class differentiation of higher-level cognitive tasks using measurements outside of the anterior prefrontal cortex. Improvements in accuracies are needed to deliver effective communication with a multi-class NIRS system. We investigated the feasibility of a ternary NIRS-BCI that supports mental states corresponding to verbal fluency task (VFT) performance, Stroop task performance, and unconstrained rest using prefrontal and parietal measurements. Prefrontal and parietal NIRS signals were acquired from 11 able-bodied adults during rest and performance of the VFT or Stroop task. Classification was performed offline using bagging with a linear discriminant base classifier trained on a 10 dimensional feature set. VFT, Stroop task and rest were classified at an average accuracy of 71.7% ± 7.9%. The ternary classification system provided a statistically significant improvement in information transfer rate relative to a binary system controlled by either mental task (0.87 ± 0.35 bits/min versus 0.73 ± 0.24 bits/min). These results suggest that effective communication can be achieved with a ternary NIRS-BCI that supports VFT, Stroop task and rest via measurements from the frontal and parietal cortices. Further development of such a system is warranted. Accurate ternary classification can enhance communication rates offered by NIRS-BCIs, improving the practicality of this technology.

  12. NiCr M ( M = W, Mo, V) ternary alloy tapes as cube-textured substrates for second-generation superconducting cables

    NASA Astrophysics Data System (ADS)

    Rodionov, D. P.; Gervas'eva, I. V.; Khlebnikova, Yu. V.; Kazantsev, V. A.; Sazonova, V. A.

    2012-05-01

    Development of the deformation texture and recrystallization processes have been studied in some ternary nickel-based alloys of the Ni-Cr-W, Ni-Cr-Mo, and Ni-Cr-V systems. An optimum relationship between the amounts of the alloying elements upon the combined alloying of nickel has been found. Problems of the optimization of the regimes of recrystallization annealing have been considered, which are related to an increase in the temperature of the onset of primary recrystallization in ternary nickel alloys after deformation by rolling to large reductions. An analysis of mechanical and magnetic properties of all the alloys has been performed.

  13. IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures

    NASA Astrophysics Data System (ADS)

    Acree, William E.

    2013-03-01

    This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in ternary organic solvent mixtures. Published solubility data for anthracene, phenanthrene, and pyrene that appeared in the primary literature between 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for 119 different solute-ternary solvent systems are included in the volume. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated here.

  14. Monte Carlo simulation of spinodal decomposition in a ternary alloy within a three-phases field: comparison to phase transformation of ferrite in duplex stainless steels

    NASA Astrophysics Data System (ADS)

    Emo, Jonathan; Pareige, Cristelle; Saillet, Sébastien; Domain, Christophe; Pareige, Philippe

    2014-06-01

    This work proposes to model phase transformations occurring in duplex stainless steels using atomistic kinetic Monte Carlo in a ternary model alloy. Kinetics are simulated in the three-phase field of a ternary system. Influence of the precipitation of the third phase on the kinetic of spinodal decomposition between the two other phases is studied in order to understand the synergy between spinodal decomposition and G-phase precipitation which exists in duplex stainless steels. Simulation results are compared to experimental data obtained with atom probe tomography.

  15. Preparation and application of agar/alginate/collagen ternary blend functional food packaging films.

    PubMed

    Wang, Long-Feng; Rhim, Jong-Whan

    2015-09-01

    Ternary blend agar/alginate/collagen (A/A/C) hydrogel films with silver nanoparticles (AgNPs) and grapefruit seed extract (GSE) were prepared. Their performance properties, transparency, tensile strength (TS), water vapor permeability (WVP), water contact angle (CA), water swelling ratio (SR), water solubility (WS), and antimicrobial activity were determined. The A/A/C film was highly transparent, and both AgNPs and GSE incorporated blend films (A/A/C(AgNPs) and A/A/C(GSE)) exhibited UV-screening effect, especially, the A/A/C(GSE) film had high UV-screening effect without sacrificing the transmittance. In addition, the A/A/C blend films formed efficient hydrogel film with the water holding capacity of 23.6 times of their weight. Both A/A/C(AgNPs) and A/A/C(GSE) composite films exhibited strong antimicrobial activity against both Gram-positive (Listeria monocytogenes) and Gram-negative (Escherichia coli) food-borne pathogenic bacteria. The test results of fresh potatoes packaging revealed that all the A/A/C ternary blend films prevented forming of condensed water on the packaged film surface, both A/A/C(AgNPs) and A/A/C(GSE) composite films prevented greening of potatoes during storage. The results indicate that the ternary blend hydrogel films incorporated with AgNPs or GSE can be used not only as antifogging packaging films for highly respiring fresh agriculture produce, but also as an active food packaging system utilizing their strong antimicrobial activity.

  16. The structure and properties of ternary zinc phosphate glasses for optical applications

    NASA Astrophysics Data System (ADS)

    Smith, Charmayne Elizabeth

    This dissertation focuses on the properties and structures of ternary zinc phosphate glasses that have recently been investigated as substrates for femto-second (fs) laser writing. Although these glasses have potential for use as optical substrates, their poor chemical properties limit their applications. In this work, ternary zinc phosphate glasses were studied to find compositions with enhanced chemical durability and the properties and structures of the investigated glasses are reported. Paper 1 and Paper 2 include the first systematic studies of the properties, structures of zinc aluminophosphate (ZAP) glasses and phase relationships in the ZnO-Al2O3-P2O5 system, respectively. Adding alumina to a Zn-metaphosphate glass reduces dissolution rates in water by 4 orders of magnitude and increases the glass transition temperatures. The average Al coordination number can be predicted from a structural model that considers the number of non-bridging oxygens to coordinate metal cations, and this work is the first reported use of this model for a ternary phosphate glass. Paper 3 is the first systematic study of how the properties and structures of zinc magnesium polyphosphate glasses change when MgO replaces ZnO for compositions with fixed O/P ratios. The Mg2+ and Zn2+ ions have similar field strengths, but have much different effects on glass properties that are discussed in terms of relative polarizabilities (refractivities) and electron configurations of the Mg2+ and Zn2+ ions. In Paper 4, the creation of electronic defects in zinc phosphate glasses by exposure to ultraviolet and x-ray radiation is described. The nature of the defects formed is dependent on the glass composition and similar defects are created when these glasses are exposed to femto-second laser radiation.

  17. Wettability of polymeric solids by ternary mixtures composed of hydrocarbon and fluorocarbon nonionic surfactants.

    PubMed

    Szymczyk, Katarzyna

    2011-11-01

    Contact angle (θ) measurements on poly(tetrafluoroethylene) (PTFE) and polymethyl methacrylate (PMMA) surface were carried out for the systems containing ternary mixtures of surfactants composed of: p-(1,1,3,3-tetramethylbutyl)phenoxypoly(ethylene glycols), Triton X-100 (TX100), Triton X-165 (TX165) and Triton X-114 (TX114), and fluorocarbon surfactants, Zonyl FSN100 (FSN100) and Zonyl FSO100 (FSO100). The aqueous solutions of ternary surfactant mixtures were prepared by adding TX114, FSN100 or FSO100 to binary mixtures of TX100+TX165, where the synergistic effect in the reduction of the surface tension of water (γ(LV)) was determined. From the obtained contact angle values, the relationships between cosθ, the adhesion tension and surface tension of solutions, cosθ and the reciprocal of the surface tension were determined. On the basis of these relationships, the correlation between the critical surface tension of PTFE and PMMA wetting and the surface tension of these polymers as well as the work of adhesion of aqueous solutions of ternary surfactant mixtures to PTFE and PMMA surface were discussed. The critical surface tension of PTFE and PMMA wetting, γ(C), determined from the contact angle measurements of aqueous solutions of surfactants including FSN100 or FSO100 was also discussed in the light of the surface tension changes of PTFE and PMMA under the influence of film formation by fluorocarbon surfactants on the surface of these polymers. The γ(C) values of the studied polymeric solids were found to be different for the mixtures composed of hydrocarbon surfactants in comparison with those of hydrocarbon and fluorocarbon surfactants. In the solutions containing fluorocarbon surfactants, the γ(C) values were different taking into account the contact angle in the range of FSN100 and FSO100 concentration corresponding to their unsaturated monolayer at water-air interface or to that saturated.

  18. Ternary and quaternary oxides of Bi, Sr and Cu

    NASA Technical Reports Server (NTRS)

    Casais, M. T.; Millan, P.; Rasines, I.; Campa, J. A.

    1991-01-01

    Before the discovery of superconductivity in an oxide of Bi, Sr, and Cu, the system Bi-Sr-Cu-O had not been studied, although several solid phases had been identified in the two-component regions of the ternary system Bi2O3-Si-O-CuO. The oxides Sr2CuO3, SrCu2O2, SrCuO2, and Bi2CuO4 were then well known and characterized, and the phase diagram of the binary system Bi2O3-SrO had been established in the temperature range 620 to 1000 C. Besides nine solutions of compositions Bi(2-2x) Sr(x) O(3-2x) and different symmetries, this diagram includes three definite compounds of stoichiometries Bi(2)BrO4. Bi2Sr2O5, and Bi2Sr3O6 (x - 0.50, 0.67 and 0.75 respectively), only the second of which with known unit-cell of orthorhombic symmetry, dimensions (A) a = 14.293(2), b = 7.651(2), c = 6.172(1), and z = 4. The first superconducting oxide in the system Bi-Sr-Cu-O was initially formulated as Bi2Sr2Cu2O(7+x), with an orthorhombic unit-cell of parameters (A) a = 5.32, b = 26.6, c = 48.8. In a preliminary study the same oxide was formulated with half the copper content, Bi(2)Sr(2)CuO(6+x), and index its reflections assuming an orthorhombic unit-cell of dimensions (A) a = 5.390(2), b = 26.973(8), c = 24.69(4). Subsequent studies by diffraction techniques have confirmed the composition 2:2:1. A new family of oxygen-deficient perovskites, was characterized, after identifying by x ray diffraction the phases present in the products of thermal treatments of about 150 mixtures of analytical grade Bi2O3, Sr(OH)2-8H2O and CuO at different molar ratios. X ray diffraction data are presented for some other oxides of Bi and Sr, as well as for various quaternary oxides, among them an oxide of Bi, Sr, and Cu.

  19. Ternary and quaternary oxides of Bi, Sr, and Cu

    NASA Technical Reports Server (NTRS)

    Casais, M. T.; Millan, P.; Rasines, I.; Campa, J. A.

    1990-01-01

    Before the discovery of superconductivity in an oxide of Bi, Sr, and Cu, the system Bi-Sr-Cu-O had not been studied, although several solid phases had been identified in the two-component regions of the ternary system Bi2O3-SrO-CuO. The oxides Sr2CuO3, SrCu2O2, SrCuO2, and Bi2CuO4 were then well known and characterized, and the phase diagram of the binary system Bi2O3 -SrO had been established in the temperature range 620 to 1000 C. Besides nine solutions of compositions Bi(2-2x) Sr(x) O(3-2x) and different symmetries, this diagram includes three definite compounds of stoichiometries Bi(2)SrO4, Bi2Sr2O5, and Bi2Sr3O6 (x = 0.50, 0.67 and 0.75 respectively), only the second of which with known unit-cell of orthorhombic symmetry, dimensions (A) a = 14.293(2), b = 7.651(2), c = 6.172(1), and z = 4. The first superconducting oxide in the system Bi-Sr-Cu-O was initially formulated as Bi2Sr2Cu2O(7+x), with an orthorhombic unit-cell of parameters (A) a = 5.32, b = 26.6, c = 48.8. In a preliminary study the same oxide was formulated with half the copper content, Bi(2)Sr(2)CuO(6+x), and indexed its reflections assuming an orthorhombic unit-cell of dimensions (A) a = 5.390(2), b = 26.973(8), c = 24.69(4). Subsequent studies by diffraction techniques have confirmed the composition 2:2:1. A new family of oxygen-deficient perovskites, was characterized, after identifying by x ray diffraction the phases present in the products of thermal treatments of about 150 mixtures of analytical grade Bi2O3, Sr(OH)2-8H2O and CuO at different molar ratios. X ray diffraction data are presented for some other oxides of Bi and Sr, as well as for various quaternary oxides, among them an oxide of Bi, Sr, and Cu.

  20. Ternary nitrogen-doped graphene/nickel ferrite/polyaniline nanocomposites for high-performance supercapacitors

    NASA Astrophysics Data System (ADS)

    Wang, Wenjuan; Hao, Qingli; Lei, Wu; Xia, Xifeng; Wang, Xin

    2014-12-01

    The electrochemical property of graphene can be significantly enhanced due to the incorporating of heteroatoms into graphene. In this article, the ternary nitrogen-doped graphene/nickel ferrite/polyaniline (NGNP) nanocomposite is synthesized by a facile two-step approach and its electrochemical properties as electrodes for supercapacitors are studied by various electrochemical measurements. The specific capacitance of NGNP is 645.0 F g-1 at 1 mV s-1 and 667.0 F g-1 at 0.1 A g-1 in a three- and two-electrode system, respectively, much higher than other binary electrodes. In a two-electrode symmetric system, the energy density of the NGNP electrode is 92.7 W h kg-1 at a power density of 110.8 W kg-1, moreover, that of the supercapacitor based on NGNP can also reach 23.2 W h kg-1 at a power density of 27.7 W kg-1. In addition, the capacitance loses only 5% after repeating test for 5000 cycles, and about 10% after 10,000 cycles at a high current density 5 A g-1. The results demonstrate the novel ternary NGNP electrode produced by the current economical method will gain promising applications in supercapacitors and other devices by virtue of its outstanding characteristics (high specific capacitance, high power and energy density, excellent cycle life).

  1. Imaging cerebroside-rich domains for phase and shape characterization in binary and ternary mixtures.

    PubMed

    Longo, Marjorie L; Blanchette, Craig D

    2010-07-01

    The objective of this paper is to review phase behavior and shape characterization of cerebroside-rich domains in binary and ternary lipid bilayers, as obtained by microscopy techniques. These lipid mixtures provide a format to examine molecular (e.g. headgroup, tail unsaturation, and tail hydroxylation) and thermodynamic (e.g. temperature and mole percentages) factors that determine phase behavior, molecular partitioning, crystal/atomic scale structure, and microstructure/shape (particularly of phase-separated domains). Microscopy can provide excellent spatial (often with high resolution) characterization of cerebroside-rich domains (and their surroundings) to identify, describe or infer with high certainty these characteristics. In the introduction to this review we review briefly the molecular structure, phase behavior, and intermolecular interactions of cerebrosides, in comparison to ceramides and sphingomyelins and in some binary and biological systems. The bulk of the review is then devoted to microscopy investigations of cerebroside-rich domain microstructure and shape dynamics in binary and ternary (one component is cholesterol) systems. Quantitative and/or high-resolution microscopy techniques have been used to interrogate cerebroside-rich domains such as freeze-fracture electron microscopy, atomic force microscopy, imaging elipsometry, two-photon fluorescence microscopy, and LAURDAN generalized polarization in addition to the laboratory workhorse technique of epifluorescence microscopy that allows a quick often qualitative assessment of microstructure and dynamics. We particularly focus on the information these microscopy investigations have revealed with respect to phase behavior, cholesterol partitioning, domain shape, and determinants of domain shape.

  2. Ternary phase diagrams of a thermoreversible chelating non-ionic surfactant.

    PubMed

    Nave, S; Testard, F; Coulombeau, H; Baczko, K; Larpent, C; Zemb, Th

    2009-04-21

    The behaviour of a di-block molecule associating a diamide group and a non-ionic surfactant (C(i)E(j)) is determined in a ternary surfactant/water/oil/system. Its properties are compared to the ones of a parent non-ionic surfactant C(i)E(j) through the limits of boundaries in the phase prisms. The existence of a stable microemulsion single phase in a defined temperature and concentration range is demonstrated. The extension of the microemulsion domain is limited by the presence of a gel, containing lyotropic liquid crystals as gelling agents. Temperature dependence is observed for the curvature below the temperature of zero spontaneous curvature, but the ternary system cannot produce reverse microemulsion as observed with classical C(i)E(j). The decrease of the mean curvature with temperature is inhibited by the presence of the diamide as a grafted complexing group. Liquid-liquid extraction processes with this type of surfactant are possible, but will require the presence of at least a fourth component to enlarge the water in an oil microemulsion domain.

  3. Designing ternary blend bulk heterojunction solar cells with reduced carrier recombination and a fill factor of 77%

    NASA Astrophysics Data System (ADS)

    Gasparini, Nicola; Jiao, Xuechen; Heumueller, Thomas; Baran, Derya; Matt, Gebhard J.; Fladischer, Stefanie; Spiecker, Erdmann; Ade, Harald; Brabec, Christoph J.; Ameri, Tayebeh

    2016-09-01

    In recent years the concept of ternary blend bulk heterojunction (BHJ) solar cells based on organic semiconductors has been widely used to achieve a better match to the solar irradiance spectrum, and power conversion efficiencies beyond 10% have been reported. However, the fill factor of organic solar cells is still limited by the competition between recombination and extraction of free charges. Here, we design advanced material composites leading to a high fill factor of 77% in ternary blends, thus demonstrating how the recombination thresholds can be overcome. Extending beyond the typical sensitization concept, we add a highly ordered polymer that, in addition to enhanced absorption, overcomes limits predicted by classical recombination models. An effective charge transfer from the disordered host system onto the highly ordered sensitizer effectively avoids traps of the host matrix and features an almost ideal recombination behaviour.

  4. Lithium insertion in graphite from ternary ionic liquid-lithium salt electrolytes. I. Electrochemical characterization of the electrolytes

    NASA Astrophysics Data System (ADS)

    Appetecchi, Giovanni B.; Montanino, Maria; Balducci, Andrea; Lux, Simon F.; Winterb, Martin; Passerini, Stefano

    In this paper we report the results of chemical-physical investigation performed on ternary room temperature ionic liquid-lithium salt mixtures as electrolytes for lithium-ion battery systems. The ternary electrolytes were made by mixing N-methyl- N-propyl pyrrolidinium bis(fluorosulfonyl) imide (PYR 13FSI) and N-butyl- N-methylpyrrolidinium bis(trifluoromethanesulfonyl) imide (PYR 14TFSI) ionic liquids with lithium hexafluorophosphate (LiPF 6) or lithium bis(trifluoromethanesulfonyl)imide (LiTFSI). The mixtures were developed based on preliminary results on the cyclability of graphite electrodes in the IL-LiX binary electrolytes. The results clearly show the beneficial synergic effect of the two ionic liquids on the electrochemical properties of the mixtures.

  5. [Study on Chinese herbs' volatile oil micro-emulsions by means of pseudo-ternary phase diagram].

    PubMed

    Yang, Meng-Meng; Zhang, Yan; Liu, Xin-You; Zhang, Ting-Ting; Liu, Mei

    2011-08-01

    To optimize the formulation of Chinese herbs' volatile oil micro emulsion. Sreened the formulation of blank micro-emulsion and the formulation of micro-emulsion contained volatile oil by means of pseudo-ternary phase diagram. System of isopropyl myristate, polyoxyethylene hydrogenated castor oil, absolute ethyl alcohol and water could formed the largest area of micro-emulsion. The optimal formulation of micro-emulsion contained volatile oil was: volatile oil consisted of 2.852%, isopropyl myristate 6.65%, polyoxyethylene hydrogenated castor oil 30.42%, absolute ethyl alcohol 7.605% and water 52.47%. Using pseudo-ternary phase diagram to optimize the formulation of Chinese herbs' micro-emulsion is scientific and feasible. The volatile oil's solubility is also increased by made of oil-in-water type micro-emulsion and insured the stability.

  6. Structural characterization of the ternary complex that mediates termination of NF-κB signaling by IκBα.

    PubMed

    Mukherjee, Sulakshana P; Quintas, Pedro O; McNulty, Reginald; Komives, Elizabeth A; Dyson, H Jane

    2016-05-31

    The transcription factor NF-κB is used in many systems for the transduction of extracellular signals into the expression of signal-responsive genes. Published structural data explain the activation of NF-κB through degradation of its dedicated inhibitor IκBα, but the mechanism by which NF-κB-mediated signaling is turned off by its removal from the DNA in the presence of newly synthesized IκBα (termed stripping) is unknown. Previous kinetic studies showed that IκBα accelerates NF-κB dissociation from DNA, and a transient ternary complex between NF-κB, its cognate DNA sequence, and IκBα was observed. Here we structurally characterize the >100-kDa ternary complex by NMR and negative stain EM and show a modeled structure that is consistent with the measurements. These data provide a structural basis for previously unidentified insights into the molecular mechanism of stripping.

  7. An engineered genetic selection for ternary protein complexes inspired by a natural three-component hitchhiker mechanism.

    PubMed

    Lee, Hyeon-Cheol; Portnoff, Alyse D; Rocco, Mark A; DeLisa, Matthew P

    2014-12-22

    The bacterial twin-arginine translocation (Tat) pathway is well known to translocate correctly folded monomeric and dimeric proteins across the tightly sealed cytoplasmic membrane. We identified a naturally occurring heterotrimer, the Escherichia coli aldehyde oxidoreductase PaoABC, that is co-translocated by the Tat translocase according to a ternary "hitchhiker" mechanism. Specifically, the PaoB and PaoC subunits, each devoid of export signals, are escorted to the periplasm in a piggyback fashion by the Tat signal peptide-containing subunit PaoA. Moreover, export of PaoA was blocked when either PaoB or PaoC was absent, revealing a surprising interdependence for export that is not seen for classical secretory proteins. Inspired by this observation, we created a bacterial three-hybrid selection system that links the formation of ternary protein complexes with antibiotic resistance. As proof-of-concept, a bispecific antibody was employed as an adaptor that physically crosslinked one antigen fused to a Tat export signal with a second antigen fused to TEM-1 β-lactamase (Bla). The resulting non-covalent heterotrimer was exported in a Tat-dependent manner, delivering Bla to the periplasm where it hydrolyzed β-lactam antibiotics. Collectively, these results highlight the remarkable flexibility of the Tat system and its potential for studying and engineering ternary protein interactions in living bacteria.

  8. Design and synthesis of ternary cobalt ferrite/graphene/polyaniline hierarchical nanocomposites for high-performance supercapacitors

    NASA Astrophysics Data System (ADS)

    Xiong, Pan; Huang, Huajie; Wang, Xin

    2014-01-01

    A ternary cobalt ferrite/graphene/polyaniline nanocomposite (CGP) is designed and fabricated via a facile two-step approach: cobalt ferrite nanoparticles dispersed on graphene sheets are achieved by a hydrothermal method, followed by coating with polyaniline (PANI) through in situ polymerization process. Electrochemical measurements demonstrate that the specific capacitance of the resulting ternary hybrid (CGP) is up to 1133.3 F g-1 at a scan rate of 1 mV s-1 and 767.7 F g-1 at a current density of 0.1 A g-1 using a three-electrode system, while 716.4 F g-1 at a scan rate of 1 mV s-1 and 392.3 F g-1 at a current density of 0.1 A g-1 using a two-electrode system, which are significantly higher than those of pure CoFe2O4, graphene and PANI, or binary CoFe2O4/graphene, CoFe2O4/PANI and graphene/PANI hybrids. In addition, over 96% of the initial capacitance can be retained after repeating test for 5000 cycles, demonstrating a high cycling stability. The extraordinary electrochemical performance of the ternary CGP nanocomposite can be attributed to its well-designed nanostructure and the synergistic effects of the individual components.

  9. An engineered genetic selection for ternary protein complexes inspired by a natural three-component hitchhiker mechanism

    PubMed Central

    Lee, Hyeon-Cheol; Portnoff, Alyse D.; Rocco, Mark A.; DeLisa, Matthew P.

    2014-01-01

    The bacterial twin-arginine translocation (Tat) pathway is well known to translocate correctly folded monomeric and dimeric proteins across the tightly sealed cytoplasmic membrane. We identified a naturally occurring heterotrimer, the Escherichia coli aldehyde oxidoreductase PaoABC, that is co-translocated by the Tat translocase according to a ternary “hitchhiker” mechanism. Specifically, the PaoB and PaoC subunits, each devoid of export signals, are escorted to the periplasm in a piggyback fashion by the Tat signal peptide-containing subunit PaoA. Moreover, export of PaoA was blocked when either PaoB or PaoC was absent, revealing a surprising interdependence for export that is not seen for classical secretory proteins. Inspired by this observation, we created a bacterial three-hybrid selection system that links the formation of ternary protein complexes with antibiotic resistance. As proof-of-concept, a bispecific antibody was employed as an adaptor that physically crosslinked one antigen fused to a Tat export signal with a second antigen fused to TEM-1 β-lactamase (Bla). The resulting non-covalent heterotrimer was exported in a Tat-dependent manner, delivering Bla to the periplasm where it hydrolyzed β-lactam antibiotics. Collectively, these results highlight the remarkable flexibility of the Tat system and its potential for studying and engineering ternary protein interactions in living bacteria. PMID:25531212

  10. In vitro and in vivo siRNA delivery to hepatocyte utilizing ternary complexation of lactosylated dendrimer/cyclodextrin conjugates, siRNA and low-molecular-weight sacran.

    PubMed

    Hayashi, Yuya; Higashi, Taishi; Motoyama, Keiichi; Jono, Hirofumi; Ando, Yukio; Arima, Hidetoshi

    2017-09-27

    In this study, we newly developed the ternary complexes consisting of lactosylated dendrimer (generation 3)/α-cyclodextrin conjugate (Lac-α-CDE), siRNA and the anionic polysaccharide sacrans, and evaluated their utility as siRNA transfer carriers. Three kinds of the low-molecular-weight sacrans, i.e. sacran (100) (Mw 44,889Da), sacran (1000) (Mw 943,692Da) and sacran (10000) (Mw 1,488,281Da) were used. Lac-α-CDE/siRNA/sacran ternary complexes were prepared by adding the low-molecular-weight sacrans to the Lac-α-CDE/siRNA binary complex solution. Cellular uptake of the ternary complex with sacran (100) was higher than that of the binary complex or the other ternary complexes with sacran (1000) and sacran (10000) in HepG2 cells. Additionally, the ternary complex possessed high serum resistance and endosomal escaping ability in HepG2 cells. High liver levels of siRNA and Lac-α-CDE were observed after the intravenous administration of the ternary complex rather than that of the binary complex. Moreover, intravenous administration of the ternary complex (siRNA 5mg/kg) induced the significant RNAi effect in the liver of mice with negligible change of blood chemistry values. Therefore, a ternary complexation of the Lac-α-CDE/siRNA binary complex with sacran is useful as a hepatocyte-specific siRNA delivery system. Copyright © 2017. Published by Elsevier B.V.

  11. Miscibility critical pressures in monolayers of ternary lipid mixtures.

    PubMed Central

    Keller, S L; Anderson, T G; McConnell, H M

    2000-01-01

    When phospholipids are mixed with cholesterol in a monolayer at an air-water interface, coexisting 2-dimensional liquid phases can be observed if the surface pressure, pi, is lower than the miscibility critical pressure, pi(c). Ternary mixtures of two phospholipid species with dihydrocholesterol have been reported to have critical pressures that are linearly proportional to the relative composition of the phospholipids. However, we report here that, if the acyl chains of the two phospholipids differ significantly in length or unsaturation, the behavior is markedly different. In this case, the critical pressure of the ternary mixture can be remarkably high, exceeding the critical pressures of the corresponding binary mixtures. High critical pressures are also seen in binary mixtures of phospholipid and dihydrocholesterol when the two acyl chains of the phospholipid differ sufficiently in length. Using regular solution theory, we interpret the elevated critical pressures of these mixtures as an attractive interaction between the phospholipid components. PMID:11023907

  12. Ternary structure reveals mechanism of a membrane diacylglycerol kinase

    SciTech Connect

    Li, Dianfan; Stansfeld, Phillip J.; Sansom, Mark S. P.; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A.; Aragao, David; Fromme, Petra; Fromme, Raimund; Basu, Shibom; Grotjohann, Ingo; Kupitz, Christopher; Rendek, Kimberley; Weierstall, Uwe; Zatsepin, Nadia A.; Cherezov, Vadim; Liu, Wei; Bandaru, Sateesh; English, Niall J.; Gati, Cornelius; Barty, Anton; Yefanov, Oleksandr; Chapman, Henry N.; Diederichs, Kay; Messerschmidt, Marc; Boutet, Sébastien; Williams, Garth J.; Marvin Seibert, M.; Caffrey, Martin

    2015-12-17

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternary structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. As a result, the active site architecture shows clear evidence of having arisen by convergent evolution.

  13. Ternary structure reveals mechanism of a membrane diacylglycerol kinase

    NASA Astrophysics Data System (ADS)

    Li, Dianfan; Stansfeld, Phillip J.; Sansom, Mark S. P.; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A.; Aragao, David; Fromme, Petra; Fromme, Raimund; Basu, Shibom; Grotjohann, Ingo; Kupitz, Christopher; Rendek, Kimberley; Weierstall, Uwe; Zatsepin, Nadia A.; Cherezov, Vadim; Liu, Wei; Bandaru, Sateesh; English, Niall J.; Gati, Cornelius; Barty, Anton; Yefanov, Oleksandr; Chapman, Henry N.; Diederichs, Kay; Messerschmidt, Marc; Boutet, Sébastien; Williams, Garth J.; Marvin Seibert, M.; Caffrey, Martin

    2015-12-01

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternary structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. The active site architecture shows clear evidence of having arisen by convergent evolution.

  14. Ternary structure reveals mechanism of a membrane diacylglycerol kinase

    PubMed Central

    Li, Dianfan; Stansfeld, Phillip J.; Sansom, Mark S. P.; Keogh, Aaron; Vogeley, Lutz; Howe, Nicole; Lyons, Joseph A.; Aragao, David; Fromme, Petra; Fromme, Raimund; Basu, Shibom; Grotjohann, Ingo; Kupitz, Christopher; Rendek, Kimberley; Weierstall, Uwe; Zatsepin, Nadia A.; Cherezov, Vadim; Liu, Wei; Bandaru, Sateesh; English, Niall J.; Gati, Cornelius; Barty, Anton; Yefanov, Oleksandr; Chapman, Henry N.; Diederichs, Kay; Messerschmidt, Marc; Boutet, Sébastien; Williams, Garth J.; Marvin Seibert, M.; Caffrey, Martin

    2015-01-01

    Diacylglycerol kinase catalyses the ATP-dependent conversion of diacylglycerol to phosphatidic acid in the plasma membrane of Escherichia coli. The small size of this integral membrane trimer, which has 121 residues per subunit, means that available protein must be used economically to craft three catalytic and substrate-binding sites centred about the membrane/cytosol interface. How nature has accomplished this extraordinary feat is revealed here in a crystal structure of the kinase captured as a ternary complex with bound lipid substrate and an ATP analogue. Residues, identified as essential for activity by mutagenesis, decorate the active site and are rationalized by the ternary structure. The γ-phosphate of the ATP analogue is positioned for direct transfer to the primary hydroxyl of the lipid whose acyl chain is in the membrane. A catalytic mechanism for this unique enzyme is proposed. The active site architecture shows clear evidence of having arisen by convergent evolution. PMID:26673816

  15. Synthesis and Characterization of Ternary Al-C-N Compound

    NASA Astrophysics Data System (ADS)

    Jiang, N.; Xu, S.; Ostrikov, K. N.; Tsakadze, E. L.; Long, J. D.; Chai, J. W.; Tsakadze, Z. L.

    An attempt for modification of carbon nitride material by introduction of Al to form a ternary Al-C-N compound in a thin film deposited using inductively coupled plasma (ICP) assisted DC magnetron sputtering is reported. Optical emission spectroscopy (OES) is used for in-situ observation and identification of reactive species. The films were characterized using x-ray photoelectron spectroscopy (XPS) and x-ray diffraction spectroscopy (XRD). The results indicate that C-N bond is formed in the plasma. The XPS narrow scam spectra confirm the existence of C-Al, sp2C-N and sp3C-N bonds. Elemental proportion of carbon increases with the CH4/N2 flow rate ratio, and has a tendency to saturate. The film is dominated by c-AlN (111), mixed with Al4C3 and AlCN ternary compound.

  16. A New Multifunctional Sensor for Measuring Concentrations of Ternary Solution

    NASA Astrophysics Data System (ADS)

    Wei, Guo; Shida, Katsunori

    This paper presents a multifunctional sensor with novel structure, which is capable of directly sensing temperature and two physical parameters of solutions, namely ultrasonic velocity and conductivity. By combined measurement of these three measurable parameters, the concentrations of various components in a ternary solution can be simultaneously determined. The structure and operation principle of the sensor are described, and a regression algorithm based on natural cubic spline interpolation and the least square method is adopted to estimate the concentrations. The performances of the proposed sensor are experimentally tested by the use of ternary aqueous solution of sodium chloride and sucrose, which is widely involved in food and beverage industries. This sensor could prove valuable as a process control sensor in industry fields.

  17. Do aqueous ternary complexes influence the TALSPEAK process?

    SciTech Connect

    Leggett, C. j.; Liu, G.; Jensen, M. P.; Chemical Sciences and Engineering Division

    2010-01-01

    The aqueous speciation of trivalent lanthanide and actinide cations in solutions containing DTPA (diethylenetriamine-N,N,N',N',N'-pentaacetic acid) and lactic acid were studied under conditions representative of the TALSPEAK process. Spectrophotometric titrations, fluorescence spectroscopy, and thermometric titrations were used to search for indications of ternary metal-DTPA-lactate complexes. The addition of lactate anions to metal-DTPA complexes was undetectable by any of these techniques, even at free lactate concentrations of 0.75 M. Although lactic acid is necessary for the optimal performance of the TALSPEAK process, we find that the fractions of aqueous ternary Ln3+/An3+-DTPA-lactate complexes are far too low to account for the observed acid dependence of TALSPEAK metal extraction.

  18. Transient photocurrent measurements in alkali chalcogenide ternary compound semiconductors

    NASA Astrophysics Data System (ADS)

    Liu, Z.; Peters, J. A.; Li, H.; Kanatzidis, M. G.; Wessels, B. W.

    2013-01-01

    The charge transport properties of two alkali metal chalcogenide, semiconductor ternary compounds Cs2Cd3Te4 and Cs2Hg6S7, having potential as efficient high-energy radiation detectors, were investigated. A key property that determines the detector performance is the minority carrier lifetime, which was determined by measurement of photocurrent transients using pulsed laser excitation. The alkali metal chalcogenide semiconductor crystals were grown by a modified Bridgman method. The Cs2Cd3Te4 compound has a minority lifetime of 2.45 µs at 295 K, which is comparable to that of cadmium zinc telluride (CZT). The Cs2Hg6S7 showed charge trapping with decay times of 120 µs. The excellent charge transport properties of Cs2Cd3Te4 indicate that this ternary compound semiconductor should be well suited for gamma radiation detector devices that operate at room temperature.

  19. Simulation model for urban ternary mix-traffic flow

    NASA Astrophysics Data System (ADS)

    Deo, Lalit; Akkawi, Faisal; Deo, Puspita

    2007-12-01

    A two-lane two-way traffic light controlled X-intersection for ternary mix traffic (cars + buses (equivalent vehicles) + very large trucks/ buses) is developed based on cellular automata model. This model can provide different matrices such as throughput, queue length and delay time. This paper will describe how the model works and how composition of traffic mix effects the throughput (numbers of vehicles navigate through the intersection per unit of time (vph)) and also compare the result with homogeneous counterpart.

  20. Electrodeposition of amorphous ternary nickel-chromium-phosphorus alloy

    DOEpatents

    Guilinger, Terry R.

    1990-01-01

    Amorphous ternary nickel-chromium-phosphorus alloys are electrodeposited from a bath comprising a nickel salt, a chromium salt, a phosphorus source such as sodium hypophosphite, a complexing agent for the nickel ions, supporting salts to increase conductivity, and a buffering agent. The process is carried out at about room temperature and requires a current density between about 20 to 40 A/dm.sup.2.

  1. Ternary fission of 260No in equatorial configuration

    NASA Astrophysics Data System (ADS)

    Ismail, M.; Seif, W. M.; Hashem, A. S.

    2016-10-01

    Spontaneous ternary fission is one of the observed decay modes of heavy nuclei. We systematically investigate the equatorial ternary fission of the 260No isotope. In the framework of the three-cluster model, the three-body interaction potential is calculated in terms of the folded M3Y-Reid nucleon-nucleon force and the Coulomb one. The relative orientations of the deformed heavy nuclei participating in the fragmentation process are taken into account. All possible emitted light particles with even mass numbers A = 4-52 are considered. The favored fragmentation channels are estimated as the ones characterized with peaks in the Q-value and local minima in the fragmentation potential. In the absence of nuclear deformations, the closed shell effects are found to play the key role in determining the channels of minimum fragmentation potential and the involved two heavier fragments tend to be of comparable sizes. Inclusion of nuclear deformations manifest the participation of highly deformed prolate nuclei, with large mass asymmetry, as heavy fragment partners in the estimated favored fragmentation channels. The results indicate that the equatorial ternary fission of 260No is most favored with the light emitted nuclei 4,6,8 2He and 10 4Be through the fragmentation channels 155 60Nd + 4 2He + 101 0Zr, 153 60Nd + 6 2He + 101 40Zr, 152 60Nd + 8 2He + 100 40Zr, and 152 0Nd + 10 4Be + 98 38Sr, respectively.

  2. Formation of a Ternary Complex for Selenocysteine Biosynthesis in Bacteria*

    PubMed Central

    Silva, Ivan R.; Serrão, Vitor H. B.; Manzine, Livia R.; Faim, Lívia M.; da Silva, Marco T. A.; Makki, Raphaela; Saidemberg, Daniel M.; Cornélio, Marinônio L.; Palma, Mário S.; Thiemann, Otavio H.

    2015-01-01

    The synthesis of selenocysteine-containing proteins (selenoproteins) involves the interaction of selenocysteine synthase (SelA), tRNA (tRNASec), selenophosphate synthetase (SelD, SPS), a specific elongation factor (SelB), and a specific mRNA sequence known as selenocysteine insertion sequence (SECIS). Because selenium compounds are highly toxic in the cellular environment, the association of selenium with proteins throughout its metabolism is essential for cell survival. In this study, we demonstrate the interaction of SPS with the SelA-tRNASec complex, resulting in a 1.3-MDa ternary complex of 27.0 ± 0.5 nm in diameter and 4.02 ± 0.05 nm in height. To assemble the ternary complex, SPS undergoes a conformational change. We demonstrated that the glycine-rich N-terminal region of SPS is crucial for the SelA-tRNASec-SPS interaction and selenoprotein biosynthesis, as revealed by functional complementation experiments. Taken together, our results provide new insights into selenoprotein biosynthesis, demonstrating for the first time the formation of the functional ternary SelA-tRNASec-SPS complex. We propose that this complex is necessary for proper selenocysteine synthesis and may be involved in avoiding the cellular toxicity of selenium compounds. PMID:26378233

  3. Development and application of high strength ternary boride base cermets

    SciTech Connect

    Takagi, Ken-ichi . E-mail: u4381@toyokohan.co.jp

    2006-09-15

    Reaction boronizing sintering is a novel strategy to form a ternary boride coexisting with a metal matrix in a cermet during liquid phase sintering. This new sintering technique has successfully developed world first ternary boride base cermets with excellent mechanical properties such as Mo{sub 2}FeB{sub 2}, Mo{sub 2}NiB{sub 2} and WCoB base ones. In these cermets Mo{sub 2}FeB{sub 2} and Mo{sub 2}NiB{sub 2} base ones consist of a tetragonal M {sub 3}B{sub 2} (M: metal)-type complex boride as a hard phase and a transition metal base matrix. The cermets have already been applied to wear resistant applications such as injection molding machine parts, can making tools, and hot copper extruding dies, etc. This paper focuses on the characteristics, effects of the additional elements on the mechanical properties and structure, and practical applications of the ternary boride base cermets. - Graphical abstract: TRS and hardness of Ni-5B-51Mo-17.5Cr and Ni-5B-51Mo-12.5Cr-5V-xMn mass% cermets as functions of Mn content (Fig. 17)

  4. An Open-Circuit Voltage and Power Conversion Efficiency Study of Fullerene Ternary Organic Solar Cells Based on Oligomer/Oligomer and Oligomer/Polymer.

    PubMed

    Zhang, Guichuan; Zhou, Cheng; Sun, Chen; Jia, Xiaoe; Xu, Baomin; Ying, Lei; Huang, Fei; Cao, Yong

    2017-07-01

    Variations in the open-circuit voltage (Voc ) of ternary organic solar cells are systematically investigated. The initial study of these devices consists of two electron-donating oligomers, S2 (two units) and S7 (seven units), and the electron-accepting [6,6]-phenyl C71 butyric acid methyl ester (PC71 BM) and reveals that the Voc is continuously tunable due to the changing energy of the charge transfer state (Ect ) of the active layers. Further investigation suggests that Voc is also continuously tunable upon change in Ect in a ternary blend system that consists of S2 and its corresponding polymer (P11):PC71 BM. It is interesting to note that higher power conversion efficiencies can be obtained for both S2:S7:PC71 BM and S2:P11:PC71 BM ternary systems compared with their binary systems, which can be ascribed to an improved Voc due to the higher Ect and an improved fill factor due to the improved film morphology upon the incorporation of S2. These findings provide a new guideline for the future design of conjugated polymers for achieving higher performance of ternary organic solar cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Inhomogeneous speed effects on H2 vibrational line profiles in ternary mixtures

    NASA Astrophysics Data System (ADS)

    Joubert, P.; Bruet, X.; Bonamy, J.; Robert, D.; Chaussard, F.; Saint-Loup, R.; Berger, H.

    2000-12-01

    A study of speed inhomogeneous broadening of the hydrogen vibrational line profiles in the collisional regime for ternary mixtures is reported. The Q(1) line of H2 in H2-Ar-N2, H2-He-Ar, and H2-He-N2 mixtures is investigated by high resolution stimulated Raman spectroscopy for various concentrations and temperatures. A model, successfully used for binary mixtures, is extended to ternary mixtures. An excellent agreement is obtained between theory and experiment for H2-Ar-N2, by using the collisional parameters previously obtained from binary mixtures study. For H2-He-Ar and H2-He-N2, H2-He collisions play a "hardening" effect in the H2 soft speed memory mechanism for H2-Ar or H2-N2. The present experimental results allow us, via the frame of our model, to determine the "hardness" parameter values for H2-He (inaccessible from binary mixtures data) and to get an accurate description of the spectral line shape. This study should be useful for hydrogen coherent anti-Stokes Raman spectroscopy thermometry in H2/air flames at high pressure through its possible extension to the H2-N2-H2O system.

  6. Characterization of interfaces in Binary and Ternary Polymer Blends by Positron Lifetime Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ranganathaiah, C.

    2015-06-01

    A miscible blend is a single-phase system with compact packing of the polymeric chains/segments due configuration/conformational changes upon blending. Differential Scanning Calorimetry (DSC) is the most employed method to ascertain whether the blend is miscible or immiscible. Positron Lifetime Spectroscopy (PLS) has been employed in recent times to study miscibility properties of polymer blends by monitoring the ortho-Positronium annihilation lifetimes as function of composition. However, just free volume monitoring and the DSC methods fail to provide the composition dependent miscibility of blends. To overcome this limitation, an alternative approach based on hydrodynamic interactions has been developed to derive this information using the same o-Ps lifetime measurements. This has led to the development of a new method of measuring composition dependent miscibility level in binary and ternary polymer blends. Further, the new method also provides interface characteristics for immiscible blends. The interactions between the blend components has a direct bearing on the strength of adhesion at the interface and hence the hydrodynamic interaction. Understanding the characteristic of interfaces which decides the miscibility level of the blend and their end applications is made easy by the present method. The efficacy of the present method is demonstrated for few binary and ternary blends.

  7. Ternary surface monolayers for ultrasensitive (zeptomole) amperometric detection of nucleic acid hybridization without signal amplification.

    PubMed

    Wu, Jie; Campuzano, Susana; Halford, Colin; Haake, David A; Wang, Joseph

    2010-11-01

    A ternary surface monolayer, consisting of coassembled thiolated capture probe, mercaptohexanol and dithiothreitol, is shown to offer dramatic improvements in the signal-to-noise characteristics of electrochemical DNA hybridization biosensors based on common self-assembled monolayers. Remarkably low detection limits down to 40 zmol (in 4 μL samples) as well as only 1 CFU Escherichia coli per sensor are thus obtained without any additional amplification step in connection to the commonly used horseradish peroxidase/3,3',5,5'-tetramethylbenzidine system. Such dramatic improvements in the detection limits (compared to those of common binary alkanethiol interfaces and to those of most electrochemical DNA sensing strategies without target or signal amplification) are attributed primarily to the remarkably higher resistance to nonspecific adsorption. This reflects the highly compact layer (with lower pinhole density) produced by the coupling of the cyclic- and linear-configuration "backfillers" that leads to a remarkably low background noise even in the presence of complex sample matrixes. A wide range of surface compositions have been investigated, and the ternary mixed monolayer has been systematically optimized. Detailed impedance spectroscopy and cyclic voltammetric studies shed useful insights into the surface coverage. The impressive sensitivity and high specificity of the simple developed methodology indicate great promise for a wide range of nucleic acid testing, including clinical diagnostics, biothreat detection, food safety, and forensic analysis.

  8. Ternary bulk heterojunction solar cells: addition of soluble NIR dyes for photocurrent generation beyond 800 nm.

    PubMed

    Lim, Bogyu; Bloking, Jason T; Ponec, Andrew; McGehee, Michael D; Sellinger, Alan

    2014-05-14

    The incorporation of a tert-butyl-functionalized silicon 2,3-naphthalocyanine bis(trihexylsilyloxide) dye molecule as a third component in a ternary blend bulk heterojunction (BHJ) organic solar cell containing P3HT (donor) and PC60BM (acceptor) results in increased NIR absorption. This absorption yields an increase of up to 40% in the short-circuit current and up to 19% in the power conversion efficiency (PCE) in photovoltaic devices. Two-dimensional grazing incidence wide-angle X-ray scattering (2-D GIWAXS) experiments show that compared to the unfunctionalized dye the tert-butyl functionalization enables an increase in the volume fraction of the dye molecule that can be incorporated before the device performance decreases. Quantum efficiency and absorption spectra also indicate that, at dye concentrations above about 8 wt %, there is an approximately 30 nm red shift in the main silicon naphthalocyanine absorption peak, allowing further dye addition to contribute to added photocurrent. This peak shift is not observed in blends with unfunctionalized dye molecules, however. This simple approach of using ternary blends may be generally applicable for use in other unoptimized BHJ systems towards increasing PCEs beyond current levels. Furthermore, this may offer a new approach towards OPVs that absorb NIR photons without having to design, synthesize, and purify complicated donor-acceptor polymers.

  9. Formation of peptide radical ions through dissociative electron transfer in ternary metal-ligand-peptide complexes.

    PubMed

    Chu, Ivan K; Laskin, Julia

    2011-01-01

    The formation and fragmentation of odd-electron ions of peptides and proteins is of interest to applications in biological mass spectrometry. Gas-phase redox chemistry occurring during collision-induced dissociation of ternary metal-ligand-peptide complexes enables the formation of a variety of peptide radicals, including the canonical radical cations, M(+•), radical dications, [M+H](2+•), radical anions, [M-2H](-•) and phosphorylated radical cations. In addition, odd-electron peptide ions with well-defined initial location of the radical site are produced through side-chain losses from the radical ions. Subsequent fragmentation of these species provides information regarding the role of charge and location of the radical site on the competition between radical-induced and proton-driven fragmentation of odd-electron peptide ions. This account summarizes current understanding of the factors that control the efficiency of the intramolecular electron transfer (ET) in ternary metal-ligand-peptide complexes resulting in formation of odd-electron peptide ions. Specifically, we discuss the effect of the metal center, the ligand and the peptide structure on the competition between the ET, proton transfer (PT) and loss of neutral peptide and neutral peptide fragments from the complex. Fundamental studies of the structures, stabilities and the energetics and dynamics of fragmentation of these complexes are also important for detailed molecular-level understanding of photosynthesis and respiration in biological systems.

  10. Physicochemical, pharmacokinetic and pharmacodynamic evaluations of novel ternary solid dispersion of rebamipide with poloxamer 407.

    PubMed

    Park, Chun-Woong; Tung, Nguyen-Thach; Rhee, Yun-Seok; Kim, Ju-Young; Oh, Tack-Oon; Ha, Jung-Myung; Chi, Sang-Cheol; Park, Eun-Seok

    2013-06-01

    This study was conducted primarily to improve the solubility of rebamipide, a poorly water-soluble anti-ulcer drug, using novel ternary solid dispersion (SD) systems and secondly to evaluate the effect of solubility enhancement on its pharmacokinetic (PK) and pharmacodynamic (PD) profile. After dissolving the three components in aqueous medium, ternary SD containing the drug, sodium hydroxide (NaOH) and PVP-VA 64 was achieved by spray drying method, which was used as primary SD. Poloxamer 407, a surfactant polymer, was incorporated in this primary SD by four different methods: co-grinding, physical mixing, melting or spray drying. SD was then characterized by dissolution test, differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD) and Fourier transform infrared spectroscopy (FT-IR). The spray dried SD of poloxamer 407 together with primary SD displayed highest dissolution rate of the drug of about 70% after 2 h. DSC, PXRD and FT-IR characterized the amorphous state and molecular dispersion of the drug in the SD. PK and PD studies in Sprague-Dawley rats revealed that the bioavailability of the drug using optimal SD was about twofold higher than that of reference product, and the irritation area of stomach was significantly reduced in the ulcer-induced rat model using optimal SD as compared to the reference product.

  11. Copolymers as amphiphiles in ternary mixtures: An analysis employing disorder, equimaxima, and Lifshitz lines

    NASA Astrophysics Data System (ADS)

    Holyst, Robert; Schick, M.

    1992-05-01

    We study the phase diagram and scattering functions of a ternary mixture of A and B homopolymers, in equal concentrations, and AB diblock copolymer. We locate the disorder line, which marks the appearance of damped oscillatory decaying correlation functions in the system, and also the Lifshitz and equimaxima lines of the structure functions. At these lines, the oscillatory component becomes dominant in a given correlation so that the peak in scattering intensity is no longer at the zero wave vector. We find that while the Lifshitz line of the structure function of all A monomers is quite close to the disorder line, that of A monomers in the homopolymer only is far from it. This shows that the copolymer orders the homopolymers inefficiently, a behavior which is also reflected in the copolymer's weak ability to solubilize them, and which contrasts with the amphiphilic solubilizers of oil and water. The disorder line and all Lifshitz lines meet at a Lifshitz tricritical point. As these ternary mixtures provide a rare opportunity to study this unusual point, we discuss its effects on the structure functions and surface tensions.

  12. Facilitated charge transport in ternary interconnected electrodes for flexible supercapacitors with excellent power characteristics.

    PubMed

    Chen, Wanjun; He, Yongmin; Li, Xiaodong; Zhou, Jinyuan; Zhang, Zhenxing; Zhao, Changhui; Gong, Chengshi; Li, Shuankui; Pan, Xiaojun; Xie, Erqing

    2013-12-07

    Flexible and high performance supercapacitors are very critical in modern society. In order to develop the flexible supercapacitors with high power density, free-standing and flexible three-dimensional graphene/carbon nanotubes/MnO2 (3DG/CNTs/MnO2) composite electrodes with interconnected ternary 3D structures were fabricated, and the fast electron and ion transport channels were effectively constructed in the rationally designed electrodes. Consequently, the obtained 3DG/CNTs/MnO2 composite electrodes exhibit superior specific capacitance and rate capability compared to 3DG/MnO2 electrodes. Furthermore, the 3DG/CNTs/MnO2 based asymmetric supercapacitor demonstrates the maximum energy and power densities of 33.71 W h kg(-1) and up to 22,727.3 W kg(-1), respectively. Moreover, the asymmetric supercapacitor exhibits excellent cycling stability with 95.3% of the specific capacitance maintained after 1000 cycle tests. Our proposed synthesis strategy to construct the novel ternary 3D structured electrodes can be efficiently applied to other high performance energy storage/conversion systems.

  13. Density functional theory predictions of the composition of atomic layer deposition-grown ternary oxides.

    PubMed

    Murray, Ciaran; Elliott, Simon D

    2013-05-01

    The surface reactivity of various metal precursors with different alkoxide, amide, and alkyl ligands during the atomic layer deposition (ALD) of ternary oxides was determined using simplified theoretical models. Quantum chemical estimations of the Brønsted reactivity of a metal complex precursor at a hydroxylated surface are made using a gas-phase hydrolysis model. The geometry optimized structures and energies for a large suite of 17 metal precursors (including cations of Mg, Ca, Sr, Sc, Y, La, Ti, Zr, Cr, Mn, Fe, Co, Ni, Cu, Zn, Al, and Ga) with five different anionic ligands (conjugate bases of tert-butanol, tetramethyl heptanedione, dimethyl amine, isopropyl amidine, and methane) and the corresponding hydrolyzed complexes are calculated using density functional theory (DFT) methods. The theoretically computed energies are used to determine the energetics of the model reactions. These DFT models of hydrolysis are used to successfully explain the reactivity and resulting stoichiometry in terms of metal cation ratios seen experimentally for a variety of ALD-grown ternary oxide systems.

  14. Single-source precursors for ternary chalcopyrite materials, and methods of making and using the same

    NASA Technical Reports Server (NTRS)

    Banger, Kulbinder K. (Inventor); Hepp, Aloysius F. (Inventor); Harris, Jerry D. (Inventor); Jin, Michael Hyun-Chul (Inventor); Castro, Stephanie L. (Inventor)

    2006-01-01

    A single source precursor for depositing ternary I-III-VI.sub.2 chalcopyrite materials useful as semiconductors. The single source precursor has the I-III-VI.sub.2 stoichiometry built into a single precursor molecular structure which degrades on heating or pyrolysis to yield the desired I-III-VI.sub.2 ternary chalcopyrite. The single source precursors effectively degrade to yield the ternary chalcopyrite at low temperature, e.g. below 500.degree. C., and are useful to deposit thin film ternary chalcopyrite layers via a spray CVD technique. The ternary single source precursors according to the invention can be used to provide nanocrystallite structures useful as quantum dots. A method of making the ternary single source precursors is also provided.

  15. One-pot facile synthesis of Bi2S3/SnS2/Bi2O3 ternary heterojunction as advanced double Z-scheme photocatalytic system for efficient dye removal under sunlight irradiation

    NASA Astrophysics Data System (ADS)

    Yu, Chongfei; Wang, Ke; Yang, Pengyan; Yang, Shengnan; Lu, Chen; Song, Yingze; Dong, Shuying; Sun, Jingyu; Sun, Jianhui

    2017-10-01

    The construction of solid-state Z-scheme heterojunction photocatalytic system to efficiently tailor the photoinduced charge separation is of great significance to water purification. In this study, we reported for the first time the controlled preparation of Bi2S3/SnS2/Bi2O3 double Z-scheme heterojunction photocatalyst by a simple one-pot solvothermal route. The experimental results with regard to rhodamine B (RhB) degradation showed that the as-fabricated heterojunctions can significantly enhance photocatalytic activity in comparison with pure Bi2S3. In addition, the optimized BiS-4 sample possessed good simulated-sunlight photocatalytic efficiency towards the degradation of other types of dyes, including methyl orange (MO), methylene blue (MB), orange IV (OG IV) and crystal violet (CV). By further probing the charge separation and migration behaviors, studying the band structure, as well as conducting the active species trapping experiments, a possible double Z-scheme photocatalytic mechanism was proposed, which not only benefited the efficient photogenerated electron-hole pair separation but also demonstrated advanced capacity for the removal of organic dyes. This work would pave the route towards the design of novel Z-scheme photocatalytic systems for energy conversion and environmental remediation.

  16. A Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ternary ferroelectric system with high T{sub C} and high piezoelectric properties

    SciTech Connect

    Li, Tao; Li, Xiuzhi; Wang, Zujian; Liu, Ying; He, Chao; Shen, Dongquan; Long, Xifa; Tailor, Hamel

    2013-01-15

    Graphical abstract: Display Omitted Highlights: ► (0.79 − x)Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–0.21Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–xPbTiO{sub 3} ceramics were prepared by two-step method. ► A morphotropic phase boundary region has been determined in the composition range of 0.28 < x < 0.32. ► The compositions within MPB region exhibit excellent piezoelectric properties. -- Abstract: (0.79 − x)Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–0.21Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–xPbTiO{sub 3} (x = 0.23–0.35) ternary ferroelectric system in the form of ceramics have been synthesized. Its structure and properties have been studied by X-ray powder diffraction and electric measurements. A morphotropic phase boundary region has been determined in the composition range of 0.28 < x < 0.32, where the Curie temperature T{sub C} and the rhombohedral–tetragonal phase transition temperature T{sub RT} were found to vary from 243 °C to 295 °C and 145 °C to 191 °C, respectively, much higher than PMNT and PZNT systems. The compositions within MPB region exhibit excellent piezoelectric properties such as piezoelectric coefficient d{sub 33} > 646 pC/N, T{sub RT} > 145 °C, T{sub C} > 273 °C and E{sub C} > 13 kV/cm for 0.5PIN–0.21PZN–0.29PT and 0.49PIN–0.21PZN–0.30PT, making the ceramics of this system a promising material for high power and high temperature application.

  17. Ternary liquid scintillator for optical fiber applications

    DOEpatents

    Franks, Larry A.; Lutz, Stephen S.

    1982-01-01

    A multicomponent liquid scintillator solution for use as a radiation-to-light converter in conjunction with a fiber optic transmission system. The scintillator includes a quantity of 5-amino-9-diethylaminobenz (a) phenoxazonium nitrate (Nile Blue Nitrate) as a solute in a fluor solvent such as benzyl alcohol. The use of PPD as an additional solute is also disclosed. The system is controllable by addition of a suitable quenching agent, such as phenol.

  18. New experimental method to measure pure and cross diffusion coefficients of transparent ternary mixtures using Mach-Zehnder interferometry

    NASA Astrophysics Data System (ADS)

    Ahadi, Amirhossein; Saghir, M. Ziad

    2014-08-01

    In this study, a Mach-Zehnder interferometer that is equipped with two lasers of different wavelengths was used to conduct high resolution measurements of concentration profiles of a ternary mixture inside a diffusion cell. Windowed Fourier transform along with an advanced unwrapping procedure was employed to extract the phase image from fringe images. Then the phase difference was obtained for a spatial resolution of 1920×1240. According to the measured refractive index profile, concentration contours of two components (out of three) were measured. Consequently, the concentration profile of the third components was calculated. Previously, the analytical solution for binary mixtures was used to estimate only the pure diffusion coefficients. In this study, for the first time, the refractive indices measured by two lasers along with the analytical solution for the ternary system, based on Fick's law, and an evolutionary algorithm (EA) known as a genetic algorithm (GA) were employed to measure the pure and cross diffusion coefficients of a transparent ternary mixture simultaneously. The optimization method to estimate diffusion coefficients was tested against various objective functions, and the best approach was that which was proposed herein. In order to validate the proposed measurement method, the experimental results of the Selectable Optical Diagnostics Instrument-Diffusion Coefficients in Mixtures (SODI-DCMIX1 project) on board the International Space Station (ISS) were analyzed using this technique and the obtained results were compared with previous techniques.

  19. Optical second-harmonic imaging of Pb{sub x}Cd{sub 1-x}Te ternary alloys

    SciTech Connect

    Scheidt, T.; Rohwer, E.G.; Bergmann, H.M. von; Saucedo, E.; Dieguez, E.; Fornaro, L.; Stafast, H.

    2005-05-15

    We employ femtosecond laser pulses (80 fs, 1.59 eV, and 80 MHz) to study the optical second-harmonic (SH) response of Pb{sub x}Cd{sub 1-x}Te ternary alloys (x about 0.2) grown by the vertical Bridgman method. The alloy segregates into a Pb-rich and a Cd-rich phase, the latter dominating the SH response of the ternary alloy by at least two orders of magnitude. Several sample regions show a regular layer-by-layer accommodation of the Pb-rich and Cd-rich phases as seen by a periodic alternation of the alloy's SH response on a {approx}10-{mu}m length scale. Furthermore, we employ polarization-resolved SH imaging as well as SH imaging at different azimuthal angles to obtain spatially resolved mappings of the sample, which are sensitive to the composition as well as the growth orientation of the Pb{sub x}Cd{sub 1-x}Te material system. We observe an azimuthal phase shift of approximately 30 deg. between coherent macroscopic regions (several mm{sup 2}) in the Cd-rich phase of the ternary alloy. We interpret these regions as large area crystalline grains of (111) and (411) crystal orientations and approximately equal composition. Hence, SH imaging is shown to spatially resolve regions of different growth directions within the Pb{sub x}Cd{sub 1-x}Te sample.

  20. Optimization of Contrast-to-Tissue Ratio by Adaptation of Transmitted Ternary Signal in Ultrasound Pulse Inversion Imaging

    PubMed Central

    Girault, Jean-Marc

    2013-01-01

    Ultrasound contrast imaging has provided more accurate medical diagnoses thanks to the development of innovating modalities like the pulse inversion imaging. However, this latter modality that improves the contrast-to-tissue ratio (CTR) is not optimal, since the frequency is manually chosen jointly with the probe. However, an optimal choice of this command is possible, but it requires precise information about the transducer and the medium which can be experimentally difficult to obtain, even inaccessible. It turns out that the optimization can become more complex by taking into account the kind of generators, since the generators of electrical signals in a conventional ultrasound scanner can be unipolar, bipolar, or tripolar. Our aim was to seek the ternary command which maximized the CTR. By combining a genetic algorithm and a closed loop, the system automatically proposed the optimal ternary command. In simulation, the gain compared with the usual ternary signal could reach about 3.9 dB. Another interesting finding was that, in contrast to what is generally accepted, the optimal command was not a fixed-frequency signal but had harmonic components. PMID:23573167