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Sample records for solvent complex dielectric

  1. Light in complex dielectrics

    NARCIS (Netherlands)

    Schuurmans, F.J.P.

    1999-01-01

    In this thesis the properties of light in complex dielectrics are described, with the two general topics of "modification of spontaneous emission" and "Anderson localization of light". The first part focuses on the spontaneous emission rate of an excited atom in a dielectric host with variable

  2. Statistical and computer analysis for the solvent effect on the elctronis adsorption spectra of monoethanolamine complexes

    International Nuclear Information System (INIS)

    Masoud, M.S.; Motaweh, H.A.; Ali, A.E.

    1999-01-01

    Full text.the electronic absorption spectra of the octahedral complexes containing monoethanolamine were recorded in different solvents (dioxine, chlororm, ethanol, dimethylformamide, dimethylsulfoxide and water). The data analyzed based on multiple linear regression technique using the equation: ya (a is the regression intercept) are various empirical solvent polarytiparameters; constants are calculated using micro statistic program on pc computer. The solvent spectral data of the complexes are compared to that of nugot, the solvent assists the spectral data to be red shifts. In case of Mn (MEA) CL complex, numerous bands are appeared in presence of CHCI DMF and DMSO solvents probably due to the numerous oxidation states. The solvent parameters: E (solvent-solute hydrogen bond and dipolar interaction); (dipolar interaction related to the dielectric constant); M (solute permanent dipole-solvent induced ipole) and N (solute permanent dipole-solvent permanent dipole) are correlated with the structure of the complexes, in hydrogen bonding solvents (Band in case of complexes as the dielectric constant increases, blue shift occurs in due to conjugation with high stability, the data in DMF and DMSO solvents are nearly the same probably due to their similarity

  3. Ionic conductivity and complexation in liquid dielectrics

    International Nuclear Information System (INIS)

    Zhakin, Anatolii I

    2003-01-01

    Electronic and ionic conductivity in nonpolar liquids is reviewed. Theoretical results on ionic complexation (formation of ion pairs and triplets, dipole-dipole chains, ion-dipole clusters) in liquid dielectrics in an intense external electric field are considered, and the relation between the complexation process and ionic conductivity is discussed. Experimental results supporting the possibility of complexation are presented and compared with theoretical calculations. Onsager's theory about the effect of an intense external electric field on ion-pair dissociation is corrected for the finite size of ions. (reviews of topical problems)

  4. Anion-π aromatic neutral tweezers complexes: are they stable in polar solvents?

    Science.gov (United States)

    Sánchez-Lozano, Marta; Otero, Nicolás; Hermida-Ramón, Jose M; Estévez, Carlos M; Mandado, Marcos

    2011-03-17

    The impact of the solvent environment on the stabilization of the complexes formed by fluorine (T-F) and cyanide (T-CN) substituted tweezers with halide anions has been investigated theoretically. The study was carried out using computational methodologies based on density functional theory (DFT) and symmetry adapted perturbation theory (SAPT). Interaction energies were obtained at the M05-2X/6-31+G* level. The obtained results show a large stability of the complexes in solvents with large dielectric constant and prove the suitability of these molecular tweezers as potential hosts for anion recognition in solution. A detailed analysis of the effects of the solvent on the electron withdrawing ability of the substituents and its influence on the complex stability has been performed. In particular, the interaction energy in solution was split up into intermonomer and solvent-complex terms. In turn, the intermonomer interaction energy was partitioned into electrostatic, exchange, and polarization terms. Polar resonance structures in T-CN complexes are favored by polar solvents, giving rise to a stabilization of the intermonomer interaction, the opposite is found for T-F complexes. The solvent-complex energy increases with the polarity of the solvent in T-CN complexes, nonetheless the energy reaches a maximum and then decreases slowly in T-F complexes. An electron density analysis was also performed before and after complexation, providing an explanation to the trends followed by the interaction energies and their different components in solution.

  5. Solvent Effects on Cesium Complexation with Crown Ethers from Liquid to Supercritical Fluids

    International Nuclear Information System (INIS)

    Wai, Chien M.; Rustenholtz, Anne; Wang, Shaofen; Lee, Su-Chen; Herman, Jamie; Porter, Richard A.

    2004-01-01

    Nuclear magnetic resonance (NMR) techniques were used to study crown ether-water interactions in solvents of low dielectric constants such as chloroform and carbon tetrachloride. Water forms a 1:1 complex with a number of crown ethers including 12-crown-4, 15-crown-5, 18-crown-6, dicyclohexano-18=crown-6, dicyclohexano-24-crown 8, and dibenzl-24-crown-8 in chloroform. Among these crown ethers, the 18-crown-6-H2 complex has the largest equilibrium constant (K=545) and 97% of the crown is complexed to water in chloroform. Addition of carbon tetrachloride to chloroform lowers the equilibrium constants of the crown-water complexes. The partition coefficients of crown ethers (D=crown in water/crown in solvent) between water and organic solvent also vary with solvent composition

  6. Selective nonspecific solvation under dielectric saturation and fluorescence spectra of dye solutions in binary solvents.

    Science.gov (United States)

    Bakhshiev, N G; Kiselev, M B

    1991-09-01

    The influence of selective nonspecific solvation on the fluorescence spectra of three substitutedN-methylphthalimides in a binary solvent system consisting of a nonpolar (n-heptane) and a polar (pyridine) component has been studied under conditions close to dielectric saturation. The substantially nonlinearity of the effect is confirmation that the spectral shifts of fluorescence bands depend on the number of polar solvent molecules involved in solvating the dye molecule. The measured fluorescence spectral shifts determined by substituting one nonpolar solvent molecula with a polar one in the proximity of the dye molecule agree quantitatively with the forecasts of the previously proposed semiempirical theory which describes this nonlinear solvation phenomenon.

  7. Measurement of dielectric constant of organic solvents by indigenously developed dielectric probe

    Science.gov (United States)

    Keshari, Ajay Kumar; Rao, J. Prabhakar; Rao, C. V. S. Brahmmananda; Ramakrishnan, R.; Ramanarayanan, R. R.

    2018-04-01

    The extraction, separation and purification of actinides (uranium and plutonium) from various matrices are an important step in nuclear fuel cycle. One of the separation process adopted in an industrial scale is the liquid-liquid extraction or solvent extraction. Liquid-liquid extraction uses a specific ligand/extractant in conjunction with suitable diluent. Solvent extraction or liquid-liquid extraction, involves the partitioning of the solute between two immiscible phases. In most cases, one of the phases is aqueous, and the other one is an organic solvent. The solvent used in solvent extraction should be selective for the metal of interest, it should have optimum distribution ratio, and the loaded metal from the organic phase should be easily stripped under suitable experimental conditions. Some of the important physical properties which are important for the solvent are density, viscosity, phase separation time, interfacial surface tension and the polarity of the extractant.

  8. Implicit solvent simulations of DNA and DNA-protein complexes: Agreement with explicit solvent vs experiment

    Czech Academy of Sciences Publication Activity Database

    Chocholoušová, Jana; Feig, M.

    2006-01-01

    Roč. 110, č. 34 (2006), s. 17240-17251 ISSN 1520-6106 Keywords : implicit solvent * explicit solvent * protein DNA complex Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.115, year: 2006

  9. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    Energy Technology Data Exchange (ETDEWEB)

    Floris, Franca Maria, E-mail: floris@dcci.unipi.it; Amovilli, Claudio [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa (Italy); Filippi, Claudia [MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands)

    2014-01-21

    We investigate here the vertical n → π{sup *} and π → π{sup *} transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π{sup *} case and also improve considerably the shift for the π → π{sup *} transition.

  10. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    International Nuclear Information System (INIS)

    Floris, Franca Maria; Amovilli, Claudio; Filippi, Claudia

    2014-01-01

    We investigate here the vertical n → π * and π → π * transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π * case and also improve considerably the shift for the π → π * transition

  11. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    Science.gov (United States)

    Floris, Franca Maria; Filippi, Claudia; Amovilli, Claudio

    2014-01-01

    We investigate here the vertical n → π* and π → π* transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π* case and also improve considerably the shift for the π → π* transition.

  12. Control of Evaporation Behavior of an Inkjet-Printed Dielectric Layer Using a Mixed-Solvent System

    Science.gov (United States)

    Yang, Hak Soon; Kang, Byung Ju; Oh, Je Hoon

    2016-01-01

    In this study, the evaporation behavior and the resulting morphology of inkjet-printed dielectric layers were controlled using a mixed-solvent system to fabricate uniform poly-4-vinylphenol (PVP) dielectric layers without any pinholes. The mixed-solvent system consisted of two different organic solvents: 1-hexanol and ethanol. The effects of inkjet-printing variables such as overlap condition, substrate temperature, and different printing sequences (continuous and interlacing printing methods) on the inkjet-printed dielectric layer were also investigated. Increasing volume fraction of ethanol (VFE) is likely to reduce the evaporation rate gradient and the drying time of the inkjet-printed dielectric layer; this diminishes the coffee stain effect and thereby improves the uniformity of the inkjet-printed dielectric layer. However, the coffee stain effect becomes more severe with an increase in the substrate temperature due to the enhanced outward convective flow. The overlap condition has little effect on the evaporation behavior of the printed dielectric layer. In addition, the interlacing printing method results in either a stronger coffee stain effect or wavy structures of the dielectric layers depending on the VFE of the PVP solution. All-inkjet-printed capacitors without electrical short circuiting can be successfully fabricated using the optimized PVP solution (VFE = 0.6); this indicates that the mixed-solvent system is expected to play an important role in the fabrication of high-quality inkjet-printed dielectric layers in various printed electronics applications.

  13. Gaussian-Based Smooth Dielectric Function: A Surface-Free Approach for Modeling Macromolecular Binding in Solvents

    Directory of Open Access Journals (Sweden)

    Arghya Chakravorty

    2018-03-01

    Full Text Available Conventional modeling techniques to model macromolecular solvation and its effect on binding in the framework of Poisson-Boltzmann based implicit solvent models make use of a geometrically defined surface to depict the separation of macromolecular interior (low dielectric constant from the solvent phase (high dielectric constant. Though this simplification saves time and computational resources without significantly compromising the accuracy of free energy calculations, it bypasses some of the key physio-chemical properties of the solute-solvent interface, e.g., the altered flexibility of water molecules and that of side chains at the interface, which results in dielectric properties different from both bulk water and macromolecular interior, respectively. Here we present a Gaussian-based smooth dielectric model, an inhomogeneous dielectric distribution model that mimics the effect of macromolecular flexibility and captures the altered properties of surface bound water molecules. Thus, the model delivers a smooth transition of dielectric properties from the macromolecular interior to the solvent phase, eliminating any unphysical surface separating the two phases. Using various examples of macromolecular binding, we demonstrate its utility and illustrate the comparison with the conventional 2-dielectric model. We also showcase some additional abilities of this model, viz. to account for the effect of electrolytes in the solution and to render the distribution profile of water across a lipid membrane.

  14. Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Sebastian; Tavan, Paul; Mathias, Gerald, E-mail: gerald.mathias@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludig-Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)

    2014-03-14

    In Paper I of this work [S. Bauer, G. Mathias, and P. Tavan, J. Chem. Phys. 140, 104102 (2014)] we have presented a reaction field (RF) method, which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of polarizable molecular mechanics (MM) force fields. Building upon these results, here we suggest a method for linearly scaling Hamiltonian RF/MM molecular dynamics (MD) simulations, which we call “Hamiltonian dielectric solvent” (HADES). First, we derive analytical expressions for the RF forces acting on the solute atoms. These forces properly account for all those conditions, which have to be self-consistently fulfilled by RF quantities introduced in Paper I. Next we provide details on the implementation, i.e., we show how our RF approach is combined with a fast multipole method and how the self-consistency iterations are accelerated by the use of the so-called direct inversion in the iterative subspace. Finally we demonstrate that the method and its implementation enable Hamiltonian, i.e., energy and momentum conserving HADES-MD, and compare in a sample application on Ac-Ala-NHMe the HADES-MD free energy landscape at 300 K with that obtained in Paper I by scanning of configurations and with one obtained from an explicit solvent simulation.

  15. Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description.

    Science.gov (United States)

    Bauer, Sebastian; Mathias, Gerald; Tavan, Paul

    2014-03-14

    We present a reaction field (RF) method which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of an electrostatics calculation with polarizable molecular mechanics (MM) force fields. The method combines an approach originally suggested by Egwolf and Tavan [J. Chem. Phys. 118, 2039 (2003)] with concepts generalizing the Born solution [Z. Phys. 1, 45 (1920)] for a solvated ion. First, we derive an exact representation according to which the sources of the RF potential and energy are inducible atomic anti-polarization densities and atomic shielding charge distributions. Modeling these atomic densities by Gaussians leads to an approximate representation. Here, the strengths of the Gaussian shielding charge distributions are directly given in terms of the static partial charges as defined, e.g., by standard MM force fields for the various atom types, whereas the strengths of the Gaussian anti-polarization densities are calculated by a self-consistency iteration. The atomic volumes are also described by Gaussians. To account for covalently overlapping atoms, their effective volumes are calculated by another self-consistency procedure, which guarantees that the dielectric function ε(r) is close to one everywhere inside the protein. The Gaussian widths σ(i) of the atoms i are parameters of the RF approximation. The remarkable accuracy of the method is demonstrated by comparison with Kirkwood's analytical solution for a spherical protein [J. Chem. Phys. 2, 351 (1934)] and with computationally expensive grid-based numerical solutions for simple model systems in dielectric continua including a di-peptide (Ac-Ala-NHMe) as modeled by a standard MM force field. The latter example shows how weakly the RF conformational free energy landscape depends on the parameters σ(i). A summarizing discussion highlights the achievements of the new theory and of its approximate solution particularly by

  16. Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Sebastian; Mathias, Gerald; Tavan, Paul, E-mail: paul.tavan@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludwig–Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)

    2014-03-14

    We present a reaction field (RF) method which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of an electrostatics calculation with polarizable molecular mechanics (MM) force fields. The method combines an approach originally suggested by Egwolf and Tavan [J. Chem. Phys. 118, 2039 (2003)] with concepts generalizing the Born solution [Z. Phys. 1, 45 (1920)] for a solvated ion. First, we derive an exact representation according to which the sources of the RF potential and energy are inducible atomic anti-polarization densities and atomic shielding charge distributions. Modeling these atomic densities by Gaussians leads to an approximate representation. Here, the strengths of the Gaussian shielding charge distributions are directly given in terms of the static partial charges as defined, e.g., by standard MM force fields for the various atom types, whereas the strengths of the Gaussian anti-polarization densities are calculated by a self-consistency iteration. The atomic volumes are also described by Gaussians. To account for covalently overlapping atoms, their effective volumes are calculated by another self-consistency procedure, which guarantees that the dielectric function ε(r) is close to one everywhere inside the protein. The Gaussian widths σ{sub i} of the atoms i are parameters of the RF approximation. The remarkable accuracy of the method is demonstrated by comparison with Kirkwood's analytical solution for a spherical protein [J. Chem. Phys. 2, 351 (1934)] and with computationally expensive grid-based numerical solutions for simple model systems in dielectric continua including a di-peptide (Ac-Ala-NHMe) as modeled by a standard MM force field. The latter example shows how weakly the RF conformational free energy landscape depends on the parameters σ{sub i}. A summarizing discussion highlights the achievements of the new theory and of its approximate solution

  17. Effect of solvents on relation of intensities of bands of luminescence spectra of terbium and dysprosium ions in solutions of their complexes with acetoacetic ester

    International Nuclear Information System (INIS)

    Kononenko, L.I.; Bel'tyukova, S.V.; Meshkova, S.B.; Kravchenko, T.B.; Poluehktov, N.S.

    1978-01-01

    An investigation is made of the effect of different solvents on the ratio of the intensity of luminescence spectrum bands of terbium and dysprosium ions, corresponding and not corresponding to ''supersensitive'' transitions in complex compounds with acetoacetic ether. A dependence is established between these values and the dielectric constant of the solvent, and also parallels in their changes, which indicate the similar manifestation of the effect of solvents in both elements. A correlation is observed between ratios of the intensity of luminescence spectrum bands and values of forces of neodymium complex absorption band oscillators in different solvents

  18. Dynamic Behaviors of Solvent Molecules Restricted in Poly (Acryl Amide Gels Analyzed by Dielectric and Diffusion NMR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Hironobu Saito

    2018-06-01

    Full Text Available Dynamics of solvent molecules restricted in poly (acryl amide gels immersed in solvent mixtures of acetone–, 1,4-dioxane–, and dimethyl sulfoxide–water were analyzed by the time domain reflectometry method of dielectric spectroscopy and the pulse field gradient method of nuclear magnetic resonance. Restrictions of dynamic behaviors of solvent molecules were evaluated from relaxation parameters such as the relaxation time, its distribution parameter, and the relaxation strength obtained by dielectric measurements, and similar behaviors with polymer concentration dependences for the solutions were obtained except for the high polymer concentration in collapsed gels. Scaling analyses for the relaxation time and diffusion coefficient respectively normalized by those for bulk solvent suggested that the scaling exponent determined from the scaling variable defined as a ratio of the size of solvent molecule to mesh size of polymer networks were three and unity, respectively, except for collapsed gels. The difference in these components reflects characteristic molecular interactions in the rotational and translational diffusions, and offered a physical picture of the restriction of solvent dynamics. A universal treatment of slow dynamics due to the restriction from polymer chains suggests a new methodology of characterization of water structures.

  19. Hydrophilic actinide complexation studied by solvent extraction radiotracer technique

    Energy Technology Data Exchange (ETDEWEB)

    Rydberg, J [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Nuclear Chemistry and Radiochemistry Consultant Group, Vaestra Froelunda (Sweden)

    1996-10-01

    Actinide migration in the ground water is enhanced by the formation of water soluble complexes. It is essential to the risk analysis of a wet repository to know the concentration of central atoms and the ligands in the ground water, and the stability of complexes formed between them. Because the chemical behavior at trace concentrations often differ from that at macro concentrations, it is important to know the chemical behavior of actinides at trace concentrations in ground water. One method used for such investigations is the solvent extraction radiotracer (SXRT) technique. This report describes the SXRT technique in some detail. A particular reason for this analysis is the claim that complex formation constants obtained by SXRT are less reliable than results obtained by other techniques. It is true that several difficulties are encountered in the application of SXRT technique to actinide solution, such as redox instability, hydrophilic complexation by side reactions and sorption, but it is also shown that a careful application of the SXRT technique yields results as reliable as by any other technique. The report contains a literature survey on solvent extraction studies of actinide complexes formed in aqueous solutions, particularly by using the organic reagent thenoyltrifluoroacetone (TTA) dissolved in benzene or chloroform. Hydrolysis constants obtained by solvent extraction are listed as well as all actinide complexes studied by SX with inorganic and organic ligands. 116 refs, 11 tabs.

  20. Hydrophilic actinide complexation studied by solvent extraction radiotracer technique

    International Nuclear Information System (INIS)

    Rydberg, J.

    1996-10-01

    Actinide migration in the ground water is enhanced by the formation of water soluble complexes. It is essential to the risk analysis of a wet repository to know the concentration of central atoms and the ligands in the ground water, and the stability of complexes formed between them. Because the chemical behavior at trace concentrations often differ from that at macro concentrations, it is important to know the chemical behavior of actinides at trace concentrations in ground water. One method used for such investigations is the solvent extraction radiotracer (SXRT) technique. This report describes the SXRT technique in some detail. A particular reason for this analysis is the claim that complex formation constants obtained by SXRT are less reliable than results obtained by other techniques. It is true that several difficulties are encountered in the application of SXRT technique to actinide solution, such as redox instability, hydrophilic complexation by side reactions and sorption, but it is also shown that a careful application of the SXRT technique yields results as reliable as by any other technique. The report contains a literature survey on solvent extraction studies of actinide complexes formed in aqueous solutions, particularly by using the organic reagent thenoyltrifluoroacetone (TTA) dissolved in benzene or chloroform. Hydrolysis constants obtained by solvent extraction are listed as well as all actinide complexes studied by SX with inorganic and organic ligands. 116 refs, 11 tabs

  1. Measurement of the quantity of water in organic solvents by infrared absorption an measurement of the dielectric constants

    International Nuclear Information System (INIS)

    Desnoyer, M.

    1959-06-01

    Some chemical methods for the analysis of the quantity of water in solvents are first described, their object being the determination of the maximum error for cases where the water content is less than 1 per cent. - The first part of the work consists in describing infrared spectrometry as applied to the analysis of water in carbon tetrachloride, chloroform aniline, acetone and dioxane. A method based on isotopic exchange between heavy and light water is used on the one hand for determining the solubility of water in carbon tetrachloride and on the other hand for establishing standard solutions (sensitivity of the method). - In the second part the dielectric constant of water solvent solutions is measured. A table is presented giving the precision obtained by the two principal methods. These are comparable and further than that the appearance of the spectra suggests an interpretation of the anomalies observed in calibration curves obtained by the dielectric constant method. (author) [fr

  2. studies dielectric behaviour of some long chain alcohols and their mixtures with a non-polar solvent at various concentration

    International Nuclear Information System (INIS)

    Yaqub, M.; Ahmed, S.S.; Hussain, A.

    2006-01-01

    Dielectric constant, refractive index and the Kirkwood linear correlation factor of 1-propanol, 1-butanol and 1-pentanol in mixtures with carbon tetrachloride at various concentration have been measured at fixed frequency (100 KHz) at 303.15 K. For the study of dielectric properties of polar molecules in a non-polar solvent at different concentrations, polarization per unit volume and excess free-energy of mixing were evaluated at this temperature. In order to study the association of polar molecules in such a non-polar solvent, the Kirkwood correlation factor (g) between molecular pairs, which exists due to the hydrogen bond association suggesting the presence of some dimension in the liquid phase with a number of dimmers, was determined. The refractive index and dielectric constant measurements are expected to shed some light on the configuration of molecules in various mixtures, and give some idea about the specific interactions between components, which decrese with the increase in the concentration of alcohol. All the three mixtures showed different behaviour for the value of correlation factor (g) as a function of concentration. The response of 1-pentanol was broadly identical to that of small chain alcohols. The different behaviour of the correlation factor (g) was interpreted in terms of the Kirkwood-Frohlich theory, as it takes into account, explicitly, such type of short and long range interactions of a mixture of polar molecules with non-polar solvents. (author)

  3. Effect of Dielectric Properties of a Solvent-Water Mixture Used in Microwave-Assisted Extraction of Antioxidants from Potato Peels

    Directory of Open Access Journals (Sweden)

    Ashutosh Singh

    2014-02-01

    Full Text Available The dielectric properties of a methanol-water mixture were measured at different temperatures from 20 to 80 °C at two frequencies 915 MHz and 2450 MHz. These frequencies are most commonly used on industrial and domestic scales respectively. In this study, the dielectric properties of a methanol-water mixture were found to be dependent on temperature, solvent concentration, and presence of plant matrix. Linear and quadratic equations were developed to establish the dependency between factors. At 2450 MHz, the dielectric constant of methanol-water mixtures was significantly affected by concentration of methanol rather than by temperature, whereas the dielectric loss factor was significantly affected by temperature rather than by methanol concentration. Introduction of potato peel led to an increase in the effect of temperature on the dielectric properties of the methanol fractions. At 915 MHz, both the dielectric properties were significantly affected by the increase in temperature and solvent concentration, while the presence of potato peel had no significant effect on the dielectric properties. Statistical analysis of the dissipation factor at 915 and 2450 MHz revealed that both temperature and solvent concentration had a significant effect on it, whereas introduction of potato peels at 915 MHz reduced the effect of temperature as compared to 2450 MHz. The total phenolic yield of the microwave-assisted extraction process was significantly affected by the solvent concentration, the dissipation factor of the methanol-water mixture and the extraction time.

  4. Complex dielectric permittivity and dielectric relaxation of heavy water along its curve of existence

    Energy Technology Data Exchange (ETDEWEB)

    Nabokov, O.A.; Lyubimov, Yu.A.

    1985-10-01

    The authors previously studied the complex dielectric permittivity of ordinary water at 70-200/sup 0/C. Similar measurements were performed in this work for D/sub 2/O by incomplete filling of a microwave resonator at a frequency of about 9.3 GHz. Distilled 99.8% D/sub 2/O was used. For D/sub 2/O, the value of tau/sub D/T/eta (where eta is the viscosity) increases with increasing temperature, so that at 140/sup 0/C its change goes beyond the limits of error of the measurement of tau/sub D/ and eta. The gradual increase in tau/sub D/T/eta and tau/sub D/D with temperature indicates weakening of the interaction between orientation and translation movements of the liquid D/sub 2/O molecules with increasing temperature. 11 references, 1 figure.

  5. Polyimide Dielectric Layer on Filaments for Organic Field Effect Transistors: Choice of Solvent, Solution Composition and Dip-Coating Speed

    Directory of Open Access Journals (Sweden)

    Rambausek Lina

    2014-09-01

    Full Text Available In today’s research, smart textiles is an established topic in both electronics and the textile fields. The concept of producing microelectronics directly on a textile substrate is not a mere idea anymore and several research institutes are working on its realisation. Microelectronics like organic field effect transistor (OFET can be manufactured with a layered architecture. The production techniques used for this purpose can also be applied on textile substrates. Besides gate, active and contact layers, the isolating or dielectric layer is of high importance in the OFET architecture. Therefore, generating a high quality dielectric layer that is of low roughness and insulating at the same time is one of the fundamental requirements in building microelectronics on textile surfaces. To evaluate its potential, we have studied polyimide as a dielectric layer, dip-coated onto copper-coated polyester filaments. Accordingly, the copper-coated polyester filament was dip-coated from a polyimide solution with two different solvents, 1-methyl-2-pyrrolidone (NMP and dimethylformaldehyde. A variety of dip-coating speeds, solution concentrations and solvent-solute combinations have been tested. Their effect on the quality of the layer was analysed through microscopy, leak current measurements and atomic force microscopy (AFM. Polyimide dip-coating with polyimide resin dissolved in NMP at a concentration of 15w% in combination with a dip-coating speed of 50 mm/min led to the best results in electrical insulation and roughness. By optimising the dielectric layer’s properties, the way is paved for applying the subsequent semi-conductive layer. In further research, we will be working with the organic semiconductor material TIPS-Pentacene

  6. Acid-base titrations in solvents of relatively low dielectric constant

    NARCIS (Netherlands)

    Bos, M.; Dahmen, E.A.M.F.

    1973-01-01

    From a comparison of the pKa values of various compounds in the solvent 1,2-dichloroethane, m-cresol, acetic acid and pyridine, the differences in basicity of these solvents could be determined. If the basicity of 1,2-dichloroethane is taken as 0 pK units, the basicities of m-cresol, acetic acid and

  7. Dielectric Properties of Binary Solvent Mixtures of Dimethyl Sulfoxide with Water

    Science.gov (United States)

    Yang, Li-Jun; Yang, Xiao-Qing; Huang, Ka-Ma; Jia, Guo-Zhu; Shang, Hui

    2009-01-01

    In this paper, the dielectric properties of water-dimethylsulfoxide (DMSO) mixtures with different mole ratios have been investigated in the range of 1 GHz to 40 GHz at 298 K by using a molecular dynamics (MD) simulation. Only one dielectric loss peak was observed in the frequency range and the relaxation in these mixtures can be described by a single relaxation time of the Davidson-Cole. It was observed that within experimental error the dielectric relaxation can be described by the Debye-like model (β ≈ 1, S.M. Puranik, et al. J. Chem. Soc. Faraday Trans. 1992, 88, 433 – 435). In general, the results are very consistent with the experimental measurements. PMID:19399247

  8. Dielectric Properties of Binary Solvent Mixtures of Dimethyl Sulfoxide with Water

    Directory of Open Access Journals (Sweden)

    Li-Jun Yang

    2009-03-01

    Full Text Available In this paper, the dielectric properties of water-dimethylsulfoxide (DMSO mixtures with different mole ratios have been investigated in the range of 1 GHz to 40 GHz at 298 K by using a molecular dynamics (MD simulation. Only one dielectric loss peak was observed in the frequency range and the relaxation in these mixtures can be described by a single relaxation time of the Davidson-Cole. It was observed that within experimental error the dielectric relaxation can be described by the Debye-like model (β ≈ 1, S.M. Puranik, et al. J. Chem. Soc. Faraday Trans.1992, 88, 433 - 435. In general, the results are very consistent with the experimental measurements.

  9. Solvent effects in the synergistic solvent extraction of Co2+

    International Nuclear Information System (INIS)

    Kandil, A.T.; Ramadan, A.

    1979-01-01

    The extraction of Co 2+ from a 0.1M ionic strength aqueous phase (Na + , CH 3 COOH) of pH = 5.1 was studied using thenoyltrifluoroacetone, HTTA, in eight different solvents and HTTA + trioctylphosphine oxide, TOPO, in the same solvents. A comparison of the effect of solvent dielectric constant on the equilibrium constant shows a synergism as a result of the increased hydrophobic character imparted to the metal complex due to the formation of the TOPO adduct. (author)

  10. Thermodynamics of ionic migration of simple and complex rare earth salts in mixed alcohol solvents

    International Nuclear Information System (INIS)

    Gorodyskij, A.V.; Fialkov, Yu.Ya.; Chernyj, D.B.

    1982-01-01

    The influence of the composition of double mixed solvents (water-methanol and methanol-propanol) on thermodynamic characteristics of electrolytic dissociation process-enthalpy and entropy, dissociation constants of chlorides and diphenanthroline chlorides of lanthanum, neodymium, europium and dysprosium, is analyzed. It is shown that when passing from water to methanol, that is, with decrease of dielectric permeability, the endothermicity of electrolytic dissociation process increases

  11. Thermodynamics of ionic migration of simple and complex rare earth salts in mixed alcohol solvents

    Energy Technology Data Exchange (ETDEWEB)

    Gorodyskij, A.V.; Fialkov, Yu.Ya.; Chernyj, D.B. (AN Ukrainskoj SSR, Kiev. Inst. Obshchej i Neorganicheskoj Khimii; Kievskij Politekhnicheskij Inst. (Ukrainian SSR))

    1982-04-01

    The influence of the composition of double mixed solvents (water-methanol and methanol-propanol) on thermodynamic characteristics of electrolytic dissociation process-enthalpy and entropy, dissociation constants of chlorides and diphenanthroline chlorides of lanthanum, neodymium, europium and dysprosium, is analyzed. It is shown that when passing from water to methanol, that is, with decrease of dielectric permeability, the endothermicity of electrolytic dissociation process increases.

  12. Effect of hydrogen bonding of a solvent on the thermodynamic stability of cadmium complexes of ethylenediamine

    International Nuclear Information System (INIS)

    Ledenkov, S.F.; Sharnin, V.A.; Chistyakova, G.V.

    2004-01-01

    The composition and stability of cadmium(II) ethylenediamine complexes in water-dimethylsulfoxide (DMSO) mixed solvents, depending on the content of organic component, were studied by the methods of pH-metry and calorimetry. It is shown that increase in DMSO content in the solvent gives rise to higher stability of cadmium complexes. The greatest growth of stability constant was pointed out for coordination-saturated compounds. The complexing thermodynamics was discussed from the viewpoint of solvation approach. Protolytic solvents were shown to produce destabilizing effect on the polyligand complexes owing to participation of coordination sphere in H-binding [ru

  13. Pressure and solvent shifts of charge transfer absorption band of iodine complexes

    International Nuclear Information System (INIS)

    Sawamura, Seiji; Taniguchi, Yoshihiro; Suzuki, Keizo

    1979-01-01

    Absorption spectra of the CT band of I 2 complexes were observed in several nonpolar solvents at 1 bar, and in heptane up to 4400 bar. All solvent shifts were red with an increase in (n 2 - 1)/(2n 2 + 1), the refractive index (n) function of solvents, consistent with the solvent shift theory. On the other hand pressure caused a variety of shifts, that is, red shifts in benzene-, toluene-, and mesitylene-I 2 complexes, an inversion shift from red to blue in HMB-I 2 complex, and blue shifts in Et 3 N-, n-Pr 3 N-, and n-Bu 3 N-I 2 complexes, though increase in pressure invariably raises the (n 2 - 1)/(2n 2 + 1) value of solvent. The pressure shifts of I 2 complexes seem to be interpreted by a sum of two effects. One is the increased polarity of the solvent, which causes a red shift. The other is the decrease in the bond distance between a donor and an acceptor, which contributes to a blue shift in a strong CT complex and to a red shift in a week one. The pressure and solvent shifts of I 2 complexes were compared with those of π-donor-TCNE complexes. (author)

  14. The Theory for the Dielectric Slab Waveguide with Complex Refractive Index Applied to GaAs Lasers

    DEFF Research Database (Denmark)

    Buus, Jens

    1977-01-01

    In this paper we investigate the homogeneous dielectric slab waveguide in the case of complex dielectric constants. A method for calculating the field distribution in a dielectric waveguide with an arbitrary symmetrical variation in the refractive index is developed, and some of the results are p...

  15. Complex permittivity measurements of ferroelectric employing composite dielectric resonator technique

    Czech Academy of Sciences Publication Activity Database

    Krupka, J.; Zychowicz, T.; Bovtun, Viktor; Veljko, Sergiy

    2006-01-01

    Roč. 53, č. 10 (2006), s. 1883-1888 ISSN 0885-3010 R&D Projects: GA AV ČR(CZ) IAA1010213; GA ČR(CZ) GA202/04/0993; GA ČR(CZ) GA202/06/0403 Institutional research plan: CEZ:AV0Z10100520 Keywords : dielectric resonator * ferroelectrics * microwave measurements Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.729, year: 2006

  16. Preparation of Some Novel Copper(I) Complexes and their Molar Conductances in Organic Solvents

    Science.gov (United States)

    Gill, Dip Singh; Rana, Dilbag

    2009-04-01

    Attempts have been made to prepare some novel copper(I) nitrate, sulfate, and perchlorate complexes. Molar conductances of these complexes have been measured in organic solvents like acetonitrile (AN), acetone (AC), methanol (MeOH), N,N-dimethylformamide (DMF), N,Ndimethylacetamide (DMA), and dimethylsulfoxide (DMSO) at 298 K. The molar conductance data have been analyzed to obtain limiting molar conductances (λ0) and ion association constants (KA) of the electrolytes. The results showed that all these complexes are strong electrolytes in all organic solvents. The limiting ionic molar conductances (λo± ) for various ions have been calculated using Bu4NBPh4 as reference electrolyte. The actual radii for copper(I) complex ions are very large and different in different solvents and indicate some solvation effects in each solvent system

  17. Specific processes in solvent extractiotn of radionuclide complexes

    International Nuclear Information System (INIS)

    Macasek, F.

    1982-01-01

    The doctoral thesis discusses the consequences of the radioactive beta transformation in systems liquid-liquid and liquid-ion exchanger, and the effect of the chemical composition of liquid-liquid systems on the distribution of radionuclide traces. A model is derived of radiolysis in two-phase liquid-liquid systems used in nuclear chemical technology. The obtained results are used to suggest the processing of radioactive wastes using the Purex process. For solvent extraction the following radionuclides were used: 59 Fe, 95 Zr- 95 Nb, 99 Mo, sup(99m)Tc, 99 Tc, 103 Pd, 137 Cs, 141 Ce, 144 Ce- 144 Pr, 234 Th, and 233 Pa. Extraction was carried out at laboratory temperature. 60 Co was used as the radiation source. Mainly scintillation spectrometry equipment was used for radiometric analysis. (E.S.)

  18. Solvent dielectric effect and side chain mutation on the structural stability of Burkholderia cepacia lipase active site: a quantum mechanical/molecular mechanics study.

    Science.gov (United States)

    Tahan, A; Monajjemi, M

    2011-12-01

    Quantum mechanical and molecular dynamics methods were used to analyze the structure and stability of neutral and zwitterionic configurations of the extracted active site sequence from a Burkholderia cepacia lipase, histidyl-seryl-glutamin (His86-Ser87-Gln88) and its mutated form, histidyl-cysteyl-glutamin (His86-Cys87-Gln88) in vacuum and different solvents. The effects of solvent dielectric constant, explicit and implicit water molecules and side chain mutation on the structure and stability of this sequence in both neutral and zwitterionic forms are represented. The quantum mechanics computations represent that the relative stability of zwitterionic and neutral configurations depends on the solvent structure and its dielectric constant. Therefore, in vacuum and the considered non-polar solvents, the neutral form of the interested sequences is more stable than the zwitterionic form, while their zwitterionic form is more stable than the neutral form in the aqueous solution and the investigated polar solvents in most cases. However, on the potential energy surfaces calculated, there is a barrier to proton transfer from the positively charged ammonium group to the negatively charged carboxylat group or from the ammonium group to the adjacent carbonyl oxygen and or from side chain oxygen and sulfur to negatively charged carboxylat group. Molecular dynamics simulations (MD) were also performed by using periodic boundary conditions for the zwitterionic configuration of the hydrated molecules in a box of water molecules. The obtained results demonstrated that the presence of explicit water molecules provides the more compact structures of the studied molecules. These simulations also indicated that side chain mutation and replacement of sulfur with oxygen leads to reduction of molecular flexibility and packing.

  19. Toward the Physical Basis of Complex Systems: Dielectric Analysis of Porous Silicon Nanochannels in the Electrical Double Layer Length Range

    Directory of Open Access Journals (Sweden)

    Radu Mircea Ciuceanu

    2011-01-01

    Full Text Available Dielectric analysis (DEA shows changes in the properties of
    a materials as a response to the application on it of a time dependent electric field. Dielectric measurements are extremely sensitive to small changes in materials properties, that molecular relaxation, dipole changes, local motions that involve the reorientation of dipoles, and so can be observed by DEA. Electrical double layer (EDL, consists in a shielding layer that is naturally created within the liquid near a charged surface. The thickness of the EDL is given by the characteristic Debye length what grows less with the ionic strength defined by half summ products of concentration with square of charge for all solvent
    ions (co-ions, counterions, charged molecules. The typical length scale for the Debye length is on the order of 1 nm, depending on the ionic contents in the solvent; thus, the EDL becomes significant for nano-capillaries that nanochannels. The electrokinetic e®ects in the nanochannels depend essentialy on the distribution of charged species in EDL, described by the Poisson-Boltzmann equation those solutions require the solvent dielectric permittivity. In this work we propose a model for solvent low-frequency permittivity and a DEA profile taking into account both the porous silicon electrode and aqueous solvent properties in the Debye length range.

  20. Application of complexing agent for lanthanoides separation by solvent extraction

    International Nuclear Information System (INIS)

    Jedinakova, V.; Dvorak, Z.; Blazek, P.

    1988-01-01

    The general characteristics are given of extraction separation of lanthanides by liquid separation in the presence of complex forming agents and the effects are discussed of the composition of the liquid and organic phase on their selective separation. Simple expressions may be derived on the basis of stability constants, for predicting the effects of the applied complex forming agents. The validity of the proposed mathematical models was confronted with experimental data and the confrontation confirmed that they may be used for modelling real systems. The proesented method allows to simulate the refining process from the known relationship of D Mi/Ma =f(c ma o ). (author). 3 figs., 3 tabs., 11 refs

  1. Dielectric dispersion and thermodynamic behavior of stearic acid binary mixtures with alcohol as co-solvent using time domain reflectometry

    Directory of Open Access Journals (Sweden)

    M. Maria Sylvester

    2017-08-01

    Full Text Available Dielectric permittivity and relaxation dynamics of binary and ternary mixture of stearic acid on various concentration and their thermodynamic effects are studied. The static dielectric constant (ε0, dielectric permittivity (ε′ and dielectric loss (ε′′ are found by bilinear calibration. The relaxation time (τ, dielectric strength (Δε and the excess permittivity (εE are found. The thermodynamic parameters such as enthalpy (ΔH, entropy (ΔS and Gibb’s free energy (ΔG are evolved. The significant changes in dielectric parameters are due to the intramolecular and intermolecular interactions in response to the applied frequency. The permittivity spectra of stearic acid–alcohol in the frequency range of 10MHz to 30GHz have been measured using picoseconds Time Domain Reflectometry (TDR. The dielectric parameters (ε0, ε′, ε′′ are found by bilinear calibration method. Influence of temperature in intermolecular interaction and the relaxation process are also studied. The FT-IR spectral analysis reveals that the conformation of functional groups and formation for hydrogen bonding are present in both binary and ternary mixtures of stearic acid.

  2. Kinetic studies of the solvent extraction of metal complexes

    International Nuclear Information System (INIS)

    Mirza, M.Y.; Nwabue, F.I.; Okafo, E.N.

    1981-01-01

    The rate of forward extraction of Zr(IV) from 2M sulphuric acid into 1-phenyl-3-methyl-4-benzoyl-pyrazole-5-one (HPsub (z)) dissolved in chloroform and backward extraction of the tetrakis-chelate, Zr(Pz) 4 have been measured under various conditions. The rate of forward reaction is proportional to [Zr 4+ ], [HPsub(z)] 2 and [H + ] -2 , while that of back extraction to [Zr(Pz) 4 ]sub(org), [HPsub(z)] -2 sub(org) and [H + ] 2 . The rate determining step in the forward extraction is established to be the formation of the second complex between the dissociated form of HPz, Pz - and the Zr(H 2 O) 2 SO 4 Pz + species in the aqueous phase while it is the reverse in the backward extraction. The velocity constants for both rate controlling steps have been determined and the extraction constant agrees with the value obtained from the equilibrium data. (author)

  3. Dielectric properties of some cadmium and mercury amino alcohol complexes at low temperatures

    Directory of Open Access Journals (Sweden)

    ALAA E. ALI

    2002-12-01

    Full Text Available The dielectric properties of some cadmium and mercury amino alcohol complexes were studied within the temperature range of 100–300 K at the frequencies of 100, 300 and 1000 kHz. The polarization mechanisms are suggested and the dependence of both e and tg d on both temperature and frequency are analyzed. The analysis of the data reveals semi-conducting features based mainly on the hopping mechanism.

  4. Experimental study of the complex resistivity and dielectric constant of chrome-contaminated soil

    Science.gov (United States)

    Liu, Haorui; Yang, Heli; Yi, Fengyan

    2016-08-01

    Heavy metals such as arsenic and chromium often contaminate soils near industrialized areas. Soil samples, made with different water content and chromate pollutant concentrations, are often needed to test soil quality. Because complex resistivity and complex dielectric characteristics of these samples need to be measured, the relationship between these measurement results and chromium concentration as well as water content was studied. Based on soil sample observations, the amplitude of the sample complex resistivity decreased with an increase of contamination concentration and water content. The phase of complex resistivity takes on a tendency of initially decrease, and then increase with the increasing of contamination concentration and water content. For a soil sample with the same resistivity, the higher the amplitude of complex resistivity, the lower the water content and the higher the contamination concentration. The real and imaginary parts of the complex dielectric constant increase with an increase in contamination concentration and water content. Note that resistivity and complex resistivity methods are necessary to adequately evaluate pollution at various sites.

  5. TDR measurements looking for complex dielectric permittivity and complex magnetic permeability in lossy materials

    Science.gov (United States)

    Persico, Raffaele

    2017-04-01

    TDR probes can be exploited for the measure of the electromagnetic characteristics of the soil, or of any penetrable material. They are commonly exploited as instruments for the measure of the propagation velocity of the electromagnetic waves in the probed medium [1], in its turn useful for the proper focusing of GPR data [2-5]. However, a more refined hardware and processing can allow to extrapolate from these probes also the discrimination between dielectric and magnetic characteristics of the material under test, which can be relevant for a better interpretation of the buried scenario or in order to infer physical-chemical characteristics of the material at hand. This requires a TDR probe that can work in frequency domain, and in particular that allows to retrieve the reflection coefficient at the air soil interface. It has been already shown [6] that in lossless cases this can be promising. In the present contribution, it will be shown at the EGU conference that it is possible to look for both the relative complex permittivity and the relative magnetic permeability of the probed material, on condition that the datum has an acceptable SNR and that some diversity of information is guaranteed, either by multifrequency data or by a TDR that can prolong its arms in the soil. References [1] F. Soldovieri, G. Prisco, R. Persico, Application of Microwave Tomography in Hydrogeophysics: some examples, Vadose Zone Journal, vol. 7, n. 1 pp. 160-170, Feb. 2008. [2] I. Catapano, L. Crocco, R. Persico, M. Pieraccini, F. Soldovieri, "Linear and Nonlinear Microwave Tomography Approaches for Subsurface Prospecting: Validation on Real Data", IEEE Trans. on Antennas and Wireless Propagation Letters, vol. 5, pp. 49-53, 2006. [3] G. Leucci, N. Masini, R. Persico, F. Soldovieri." GPR and sonic tomography for structural restoration : the case of the Cathedral of Tricarico", Journal of Geophysics and Engineering, vol. 8, pp. S76-S92, Aug. 2011. [4] S. Piscitelli, E. Rizzo, F. Cristallo

  6. Characterization and antioxidant activity of bovine serum albumin and sulforaphane complex in different solvent systems

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Xueyan; Zhou, Rui; Jing, Hao, E-mail: h200521@cau.edu.cn

    2014-02-15

    Modes and influencing factors of bovine serum albumin (BSA) and sulforaphane (SFN) interaction will help us understand the interaction mechanisms and functional changes of bioactive small molecule and biomacromolecule. This study investigated interaction mechanisms of BSA and SFN and associated antioxidant activity in three solvent systems of deionized water (dH{sub 2}O), dimethyl sulfoxide (DMSO) and ethanol (EtOH), using Fourier transform infrared spectroscopy (FT-IR), fluorescence spectroscopy, synchronous fluorescence spectroscopy, DPPH and ABTS radical scavenging assays. The results revealed that SFN had ability to quench BSA's fluorescence in static modes, and to interact with BSA at both tyrosine (Tyr) and tryptophan (Trp) residues, while the Trp residues were highly sensitive, which was demonstrated by fluorescence at 340 nm. Hydrophobic forces, hydrogen bonds and van der Waals interactions were all involved in BSA and SFN interaction, which were not significantly changed by three solvents. The binding constant values and binding site numbers were in a descending order of dH{sub 2}O>DMSO>EtOH. The values of free energy change were in a descending order of dH{sub 2}O>DMSO>EtOH, which indicated that the binding forces were in a descending order of dH{sub 2}O>DMSO>EtOH. There was no significant difference in antioxidant activity between SFN and BSA–SFN. Moreover, three solvents had not significant influence on antioxidant activity of SFN and BSA–SFN. -- Highlights: • We report interaction mechanisms of BSA and sulforaphane in three solvent systems. • We report antioxidant activity of BSA–sulforaphane complex in three solvent systems. • Decreasing the solvent polarity will decrease the binding of BSA and sulforaphane. • Three solvents had not influence on antioxidant activity of BSA–sulforaphane.

  7. Influence of a solvent on thermodynamics of electrolytic dissociation of simple and complex rare earth salts

    Energy Technology Data Exchange (ETDEWEB)

    Gorodyskij, A.V.; Fialkov, Yu.Ya.; Chernyj, D.B. (AN Ukrainskoj SSR, Kiev. Inst. Obshchej i Neorganicheskoj Khimii; Kievskij Politekhnicheskij Inst. (Ukrainian SSR))

    1982-03-01

    Influence of the double mixed solvent on thermodynamic characteristics of ionic migration of lanthanum, neodymium, europium and dysprosium chlorides as well as their phenanthroline complexes is considered. Decrease of lambdasub(c) of simple and complex rare earth salts in the lanthanum, neodymium-europium-dysprosium series as explained by increase of solvation degree, associated with lanthanum compression. It is shown that increase of methanol or propanol content results in exothermicity decrease of the ionic migration process. The temperature constituents of enthalpy and entropy of dissociation of the simple and complex rare earth salts are presented.

  8. Development of a Complex Geometry Standard Fixture and Solvent Evaluation Method fo Assessing Replacement Solvents for AK-225G

    Data.gov (United States)

    National Aeronautics and Space Administration — Environmental regulatory requirements dictate the need for NASA Stennis, and NASA as a whole to identify new solvents that conform to changing environmental impact...

  9. Mechanically-induced solvent-less synthesis of cobalt and nickel complexes of cimetidine

    Directory of Open Access Journals (Sweden)

    Adedibu Clement Tella

    2011-09-01

    Full Text Available Solvent-less synthesis of [Co(CIM2](SO4 and [Ni(CIM2](OAC2 by grinding of CoSO4 and Ni(CH3COO2.4H2O with cimetidine without any solvent is described. The complexes have been characterized by elemental analysis, melting point, AAS, conductivity measurements, TLC, infrared and UV-Vis spectroscopies as well as X-ray powder diffraction. Cimetidine was found to be bidentate or tridentate ligand. Cobalt ion coordinate with cimetidine through the sulphur atom in the thiol group, nitrogen atom of imidazole ring and the nitrogen atom of the secondary amine to give an octahedral geometry with ligand acting as tridentate whereas nickel ion coordinates through the sulphur atom in the thiol group, nitrogen atom of imidazole ring to give tetrahedral structure with ligand acting as bidentate. X-Ray diffraction patterns of the complex were different from that of the ligand suggesting formation of coordination compounds. The method is quick and gives a quantatively yield, without the need for solvents or external heating. Clearly, it can present higher efficiency in terms of materials, energy and time compared to classical solution phase synthesis.

  10. Determination of stability constants of lanthanide nitrate complex formation using a solvent extraction technique

    International Nuclear Information System (INIS)

    Andersson, S.; Ekberg, C.; Liljenzin, J.O.; Nilsson, M.; Skarnemark, G.; Eberhardt, K.

    2006-01-01

    For lanthanides and actinides, nitrate complex formation is an important factor with respect to the reprocessing of nuclear fuels and in studies that treat partitioning and transmutation/conditioning. Different techniques, including microcalorimetry, various kinds of spectroscopy, ion-exchange and solvent extraction, can be used to determine stability constants of nitrate complex formation. However, it is uncommon that all lanthanides are studied at the same time, using the same experimental conditions and technique. The strengths of the complexes are different for lanthanides and actinides, a feature that may assist in the separation of the two groups. This paper deals with nitrate complex formation of lanthanides using a solvent extraction technique. Trace amounts of radioactive isotopes of lanthanides were produced at the TRIGA Mainz research reactor and at the Institutt for Energiteknikk in Kjeller, Norway (JEEP II reactor). The extraction of lanthanide ions into an organic phase consisting of 2, 6-bis-(benzoxazolyl)-4-dodecyloxylpyridine, 2-bromodecanoic acid and tert-butyl benzene as a function of nitrate ion concentration in the aqueous phase was studied in order to estimate the stability constants of nitrate complex formation. When the nitrate ion concentration is increased in the aqueous phase, the nitrate complex formation starts to compete with the extraction of metal ions. Thus the stability constants of nitrate complex formation can be estimated by measuring the decrease in extraction and successive fitting of an appropriate model. Extraction curves for La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Dy, Ho and Er were obtained and stability constants for their nitrate complex formation were estimated. Tb, Tm, Yb and Lu were also investigated, but no stability constants could be determined. The distribution ratios for the metal ions at low nitrate ion concentration were obtained at the same time, showing the effect of lanthanide contraction resulting in decreasing

  11. Thermodynamics of formation for the 18-crown-6-triglycine molecular complex in water-dimethylsulfoxide solvents

    Science.gov (United States)

    Usacheva, T. R.; Lan, Pham Thi; Sharnin, V. A.

    2014-06-01

    The effect of a water-dimethylsulfoxide (DMSO) solvent on the formation of a molecular complex of 18-crown-6 (18C6) with triglycine (diglycylglycine, 3Gly) is studied via calorimetric titration. It is found that switching from water to an H2O-DMSO mixture with DMSO mole fraction of 0.30 is accompanied by a monotonic increase in the stability of [3Gly18C6] complex, from log K ∘ = 1.10 to log K ∘ = 2.44, and an increase in the exothermicity of the reaction of its formation, from -5.9 to -16.9 kJ/mol. It is shown that the [3Gly18C6] complex exhibits enthalpy stabilization with negative values of enthalpy and entropy over the investigated range of H2O-DMSO solvents. Analysis of the reagents' solvation characteristics reveals that the increase in the reaction's exothermicity of transfer is due to differences in the solvation of [3Gly18C6] and 18C6 with a small solvation contribution from 3Gly. It is concluded that the change in the Gibbs energy of the reaction 3Glysolv + 18C6solv ↔ [3Gly18C6]solv is due to differences in the change in the solvation state of the complex and the peptide (Δtr G ∘([3Gly18C6])-Δtr G ∘(3Gly)).

  12. Thermal, dielectric characteristics and conduction mechanism of azodyes derived from quinoline and their copper complexes.

    Science.gov (United States)

    El-Ghamaz, N A; Diab, M A; El-Bindary, A A; El-Sonbati, A Z; Nozha, S G

    2015-05-15

    A novel series of (5-(4'-derivatives phenyl azo)-8-hydroxy-7-quinolinecarboxaldehyde) (AQLn) (n=1, p-OCH3; n=2, R=H; and n=3; p-NO2) and their complexes [Cu(AQLn)2]·5H2O are synthesized and investigated. The optimized bond lengths, bond angles and the calculated quantum chemical parameters for AQLn are investigated. HOMO-LUMO energy gap, absolute electronegativities, chemical potentials, and absolute hardness are also calculated. The thermal properties, dielectric properties, alternating current conductivity (σac) and conduction mechanism are investigated in the frequency range 0.1-100kHz and temperature range 293-568K for AQL1-3 and 318-693K for [Cu(AQL1-3)2]·5H2O complexes. The thermal properties are of ligands (AQLn) and their Cu(II) complexes investigated by thermogravimetric analysis (TGA). The temperature and frequency dependence of the real and the imaginary part of the dielectric constant are studied. The values of the thermal activation energy of conduction mechanism for AQLn and their complexes [Cu(AQLn)2]·5H2O under investigation are calculated at different test frequencies. The values of thermal activation energies ΔE1 and ΔE2 for AQLn and [Cu(AQLn)2]·5H2O decrease with increasing the values of frequency. The ac conductivity is found to be depending on the chemical structure of the compounds. Different conduction mechanisms have been proposed to explain the obtained experimental data. The small polaron tunneling (SPT) is the dominant conduction mechanism for AQL1 and its complex [Cu(AQL1)2]·5H2O. The quantum mechanical tunneling (QMT) is the dominant conduction mechanism for AQL2 and its complex [Cu(AQL2)2]·5H2O. The correlated barrier hopping (CBH) is the dominant conduction mechanism for AQL3 and its complex [Cu(AQL3)2]·5H2O, and the values of the maximum barrier height (Wm) are calculated. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Complex dielectric modulus and relaxation response at low microwave frequency region of dielectric ceramic Ba6-3xNd8+2xTi18O54

    Directory of Open Access Journals (Sweden)

    Chian Heng Lee

    2014-10-01

    Full Text Available The desirable characteristics of Ba6-3xNd8+2xTi18O54 include high dielectric constant, low loss tangent, and high quality factor developed a new field for electronic applications. The microwave dielectric properties of Ba6-3xNd8+2xTi18O54, with x = 0.15 ceramics at different sintering temperatures (600–1300°C were investigated. The phenomenon of polarization produced by the applied electric field was studied. The dielectric properties with respect to frequency from 1 MHz to 1.5 GHz were measured using Impedance Analyzer, and the results were compared and analyzed. The highest dielectric permittivity and lowest loss factor were defined among the samples. The complex dielectric modulus was evaluated from the measured parameters of dielectric measurement in the same frequency range, and used to differentiate the contribution of grain and grain boundary.

  14. Solvent extraction of indium and gallium complexes with bromopyrogallol red by mixed extractants containing chloroform, a polar organic solvent and monocarboxylic acids

    International Nuclear Information System (INIS)

    Pyatnitskij, I.V.; Lysenko, O.V.; Kolomiets, L.L.

    1987-01-01

    Solvent extraction of indium and gallium complexes with bromopyragallol red (BPR) has been studied using mixed extractants containing chloroform, capronic acid (HL) and 1-pentanol (S) (extractant 1), and chloroform, HL, S and propionic acid (extractant 2). The latter is more selectie and extracts only the indium complex. Optimal conditions have been found for the extraction of In-BRP complex (pH 6.3-6.5; C BPR 1.5x10 -4 M) its composition has been estimated and discussed

  15. Low frequency complex dielectric (conductivity) response of dilute clay suspensions: Modeling and experiments.

    Science.gov (United States)

    Hou, Chang-Yu; Feng, Ling; Seleznev, Nikita; Freed, Denise E

    2018-04-11

    In this work, we establish an effective medium model to describe the low-frequency complex dielectric (conductivity) dispersion of dilute clay suspensions. We use previously obtained low-frequency polarization coefficients for a charged oblate spheroidal particle immersed in an electrolyte as the building block for the Maxwell Garnett mixing formula to model the dilute clay suspension. The complex conductivity phase dispersion exhibits a near-resonance peak when the clay grains have a narrow size distribution. The peak frequency is associated with the size distribution as well as the shape of clay grains and is often referred to as the characteristic frequency. In contrast, if the size of the clay grains has a broad distribution, the phase peak is broadened and can disappear into the background of the canonical phase response of the brine. To benchmark our model, the low-frequency dispersion of the complex conductivity of dilute clay suspensions is measured using a four-point impedance measurement, which can be reliably calibrated in the frequency range between 0.1 Hz and 10 kHz. By using a minimal number of fitting parameters when reliable information is available as input for the model and carefully examining the issue of potential over-fitting, we found that our model can be used to fit the measured dispersion of the complex conductivity with reasonable parameters. The good match between the modeled and experimental complex conductivity dispersion allows us to argue that our simplified model captures the essential physics for describing the low-frequency dispersion of the complex conductivity of dilute clay suspensions. Copyright © 2018 Elsevier Inc. All rights reserved.

  16. Alkali metal cation complexation and solvent interactions by robust chromium(III) fluoride complexes

    DEFF Research Database (Denmark)

    Birk, T.; Magnussen, M.J.; Piligkos, Stergios

    2010-01-01

    )] have been synthesized from mer-[CrF3(py)(3)] and shown to precipitate sodium salts from solution, of which 3[CrF3(Me(3-)tacn)]center dot 2Na(Bph(4)).solv and 6[CrF3(terpy)]center dot 4Na(Bph(4)).solv have been crystallographically characterized. In these clusters, the neutral fluoride complexes bring...

  17. Stability Constants of Some Biologically Important Pyrazoles and Their Ni2+ Complexes in Different Dielectric Constant of Medium

    Directory of Open Access Journals (Sweden)

    S. D. Deosarkar

    2012-01-01

    Full Text Available The proton-ligand stability constants of some biologically important new pyrazoles and formation constants of their complexes with Ni(II were determined at 0.1 mol dm-3 ionic strength and at 303.15 K in different dielectric constant of dioxane-water mixture by potentiometric method. The Calvin-Bjerrum's pH-titration technique as used by Irving and Rossotti was used for determination of stability constants. The results enabled to study the electrostatic forces of attraction between metal ion and ligand with changes in dielectric constant of the medium.

  18. Fabrication and characterization of poly(L-lactic acid) gels induced by fibrous complex crystallization with solvents

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Yasuhiro [ORNL; Fukatsu, Akinobu [Shizuoka University, Hamamatsu, Japan; Wang, Yangyang [ORNL; Miyamoto, Kazuaki [Shizuoka University, Hamamatsu, Japan; Mays, Jimmy [University of Tennessee, Knoxville (UTK); Tasaka, Shigeru [Shizuoka University, Hamamatsu, Japan

    2014-01-01

    Complex crystal induced gelation of poly(L-lactic acid) (PLLA) solutions was studied for a series of solvents, including N,N-dimethylformamide (DMF). By cooling the solutions prepared at elevated temperatures, PLLA gels were produced in solvents that induced complex crystals ( -crystals) with PLLA. Fibrous structure of PLLA in the gel with DMF was observed by polarizing optical microscopy, field emission electron microscopy, and atomic force microscopy. Upon heating, the crystal form of PLLA in the DMF gel changed from -crystal to a-crystal, the major crystal form in common untreated PLLA films, but the morphology and high elastic modulus of the gel remained until the a-crystal dissolved at higher temperature. In addition, a solvent exchanging method was developed, which allowed PLLA gels to be prepared in other useful solvents that do not induce -crystals without losing the morphology and mechanical properties.

  19. Synthesis of titanium oxide nanoparticles using DNA-complex as template for solution-processable hybrid dielectric composites

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, J.C. [Center for Sustainable Materials Chemistry, 153 Gilbert Hall, Oregon State University, Corvallis, OR (United States); Mejia, I.; Murphy, J.; Quevedo, M. [Department of Materials Science and Engineering, University of Texas at Dallas, Dallas, TX (United States); Garcia, P.; Martinez, C.A. [Engineering and Technology Institute, Autonomous University of Ciudad Juarez, Ciudad Juarez, Chihuahua (Mexico)

    2015-09-15

    Highlights: • We developed a synthesis method to produce TiO{sub 2} nanoparticles using a DNA complex. • The nanoparticles were anatase phase (~6 nm diameter), and stable in alcohols. • Composites showed a k of 13.4, 4.6 times larger than the k of polycarbonate. • Maximum processing temperature was 90 °C. • Low temperature enables their use in low-voltage, low-cost, flexible electronics. - Abstract: We report the synthesis of TiO{sub 2} nanoparticles prepared by the hydrolysis of titanium isopropoxide (TTIP) in the presence of a DNA complex for solution processable dielectric composites. The nanoparticles were incorporated as fillers in polycarbonate at low concentrations (1.5, 5 and 7 wt%) to produce hybrid dielectric films with dielectric constant higher than thermally grown silicon oxide. It was found that the DNA complex plays an important role as capping agent in the formation and suspension stability of nanocrystalline anatase phase TiO{sub 2} at room temperature with uniform size (∼6 nm) and narrow distribution. The effective dielectric constant of spin-cast polycarbonate thin-films increased from 2.84 to 13.43 with the incorporation of TiO{sub 2} nanoparticles into the polymer host. These composites can be solution processed with a maximum temperature of 90 °C and could be potential candidates for its application in low-cost macro-electronics.

  20. Exact Cavity Perturbation Technique to Determine Complex Permittivity of Dielectric Materials

    Science.gov (United States)

    Starr, Charles H.; Barmatz, Martin B.

    2011-01-01

    Cassini is an international spacecraft mission facilitated by NASA and ESA which seeks to understand the Saturn planetary system, including rings and moons. Launched in 1997, the Cassini spacecraft contains two major components: the Cassini orbiter that has been orbiting Saturn since October 2004, and the European-built Huygens probe that landed on Titan's surface in December 2004 to study its geology and atmosphere. Titan, Saturn's largest moon and the second largest moon in the solar system, possesses surface and atmospheric features similar to those of Earth, including lakes, seas, and mountains. A physical characterization of these features is critical to understanding the origin and evolution of Titan, whose surface composition reflects its geological history. Because Titan's atmosphere is largely composed of methane, it is believed that surfaces lakes are filled with mixtures of liquid hydrocarbons. The Cassini orbiter's RADAR instrument has been scanning Titan's surface at the atmosphere-penetrating microwave frequency of 13.8 Gigahertz since 2004. However, accurate interpretation of these data is limited by a lack of knowledge regarding dielectric properties of liquid hydrocarbons at cryogenic temperatures. Therefore, it is of specific interest to experimentally determine values for the complex permittivities of various liquid hydrocarbon mixtures at the surface conditions of Titan. In particular, more accurate values for complex permittivity would improve estimates of lake depth and surface composition obtained from the instrument's altimetry and backscatter modes.

  1. Controlling Actinide Hydration in Mixed Solvent Systems: Towards Tunable Solvent Systems to Close the Fuel Cycle

    International Nuclear Information System (INIS)

    Clark, Sue B.

    2016-01-01

    The goal of this project has been to define the extent of hydration the f-elements and other cations in mixed solvent electrolyte systems. Methanol-water and other mixed solvent systems have been studied, where the solvent dielectric constant was varied systematically. Thermodynamic and spectroscopic studies provide details concerning the energetics of complexation and other reactions of these cations. This information has also been used to advance new understanding of the behavior of these cations in a variety of systems, ranging from environmental studies, chromatographic approaches, and ionization processes for mass spectrometry.

  2. Controlling Actinide Hydration in Mixed Solvent Systems: Towards Tunable Solvent Systems to Close the Fuel Cycle

    Energy Technology Data Exchange (ETDEWEB)

    Clark, Sue B. [Washington State Univ., Pullman, WA (United States). Dept. of Chemistry

    2016-10-31

    The goal of this project has been to define the extent of hydration the f-elements and other cations in mixed solvent electrolyte systems. Methanol-water and other mixed solvent systems have been studied, where the solvent dielectric constant was varied systematically. Thermodynamic and spectroscopic studies provide details concerning the energetics of complexation and other reactions of these cations. This information has also been used to advance new understanding of the behavior of these cations in a variety of systems, ranging from environmental studies, chromatographic approaches, and ionization processes for mass spectrometry.

  3. The first experimental confirmation of the fractional kinetics containing the complex-power-law exponents: Dielectric measurements of polymerization reactions

    Science.gov (United States)

    Nigmatullin, R. R.; Arbuzov, A. A.; Salehli, F.; Giz, A.; Bayrak, I.; Catalgil-Giz, H.

    2007-01-01

    For the first time we achieved incontestable evidence that the real process of dielectric relaxation during the polymerization reaction of polyvinylpyrrolidone (PVP) is described in terms of the fractional kinetic equations containing complex-power-law exponents. The possibility of the existence of the fractional kinetics containing non-integer complex-power-law exponents follows from the general theory of dielectric relaxation that has been suggested recently by one of the authors (R.R.N). Based on the physical/geometrical meaning of the fractional integral with complex exponents there is a possibility to develop a general theory of dielectric relaxation based on the self-similar (fractal) character of the reduced (averaged) microprocesses that take place in the mesoscale region. This theory contains some essential predictions related to existence of the non-integer power-law kinetics and the results of this paper can be considered as the first confirmation of existence of the kinetic phenomena that are described by fractional derivatives with complex-power-law exponents. We want to stress here that with the help of a new complex fitting function for the complex permittivity it becomes possible to describe the whole process for real and imaginary parts simultaneously throughout the admissible frequency range (30 Hz-13 MHz). The fitting parameters obtained for the complex permittivity function for three temperatures (70, 90 and 110 °C) confirm in general the picture of reaction that was known qualitatively before. They also reveal some new features, which improve the interpretation of the whole polymerization process. We hope that these first results obtained in the paper will serve as a good stimulus for other researches to find the traces of the existence of new fractional kinetics in other relaxation processes unrelated to the dielectric relaxation. These results should lead to the reconsideration and generalization of irreversibility and kinetic phenomena that

  4. Simple liquid models with corrected dielectric constants

    Science.gov (United States)

    Fennell, Christopher J.; Li, Libo; Dill, Ken A.

    2012-01-01

    Molecular simulations often use explicit-solvent models. Sometimes explicit-solvent models can give inaccurate values for basic liquid properties, such as the density, heat capacity, and permittivity, as well as inaccurate values for molecular transfer free energies. Such errors have motivated the development of more complex solvents, such as polarizable models. We describe an alternative here. We give new fixed-charge models of solvents for molecular simulations – water, carbon tetrachloride, chloroform and dichloromethane. Normally, such solvent models are parameterized to agree with experimental values of the neat liquid density and enthalpy of vaporization. Here, in addition to those properties, our parameters are chosen to give the correct dielectric constant. We find that these new parameterizations also happen to give better values for other properties, such as the self-diffusion coefficient. We believe that parameterizing fixed-charge solvent models to fit experimental dielectric constants may provide better and more efficient ways to treat solvents in computer simulations. PMID:22397577

  5. Solvent effects on the photochemistry of dimethyl sulfoxide-Cl complexes studied by combined pulse radiolysis and laser flash photolysis

    International Nuclear Information System (INIS)

    Sumiyoshi, Takashi; Minegishi, Hideki; Fujiyoshi, Ryoko; Sawamura, Sadashi

    2006-01-01

    Photolysis of complexes of dimethyl sulfoxide (DMSO) with chlorine atoms results in rapid and permanent photobleaching which may be due to intramolecular hydrogen abstraction. The effects of solvent polarity were examined in a wide variety of DMSO-carbon tetrachloride mixed solvents. The quantum yields of photobleaching decreased from 0.27 to 0.08 as the solvent polarity increased, while significant changes were observed in the low DMSO concentration range ( -3 ). This cannot be accounted for by simple solvent polarity effects. The effects of polar and nonpolar additives were also examined and it is concluded that the specific solvation effect of DMSO was the main cause of the significant change in quantum yields in the low concentration range of DMSO

  6. Numerical simulation of the electro convective onset and complex flows of dielectric liquid in an annulus

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes, Dolfred Vijay; Lee, Heon Deok; Alapati, Suresh; Suh, Yong Kweon [Dong A Univ., Busan (Korea, Republic of)

    2012-12-15

    We conducted a numerical study on the onset of electro-convection as well as the complex flow phenomena of dielectric liquid subjected to unipolar autonomous charge injection in the annular gap between two concentric circular cylindrical electrodes. The Nernst Planck equations governing the charge density transport, the Poisson equation for the electric potential and the Navier Stokes equations for the fluid flow are solved numerically using the finite volume method. The developed code is validated by comparing the critical stability parameter values for the onset of electro convection with those obtained from the linear stability analysis. We identify in a parameter space the stable hydrostatic state and the electro convection state. The electro convection is again divided into three regimes: stationary, oscillatory and chaotic. For inner cylinder radius 1.0, i r {>=} we observed an increase in the number of charged plumes and vortex pairs with stability parameter T before the electro convection becomes chaotic. For outer injection, although the onset of electroconvection starts at T higher than the inner injection, the onset of chaotic motion occurs at lower T.

  7. Thermodynamic method for obtaining the solubilities of complex medium-sized chemicals in pure and mixed solvents

    DEFF Research Database (Denmark)

    Abildskov, Jens; O'Connell, J.P.

    2005-01-01

    This paper extends our previous simplified approach to using group contribution methods and limited data to determine differences in solubility of sparingly soluble complex chemicals as the solvent is changed. New applications include estimating temperature dependence and the effect of adding cos....... Though we present no new solution theory, the paper shows an especially efficient use of thermodynamic models for solvent and cosolvent selection for product formulations. Examples and discussion of applications are given. (c) 2004 Elsevier B.V. All rights reserved.......This paper extends our previous simplified approach to using group contribution methods and limited data to determine differences in solubility of sparingly soluble complex chemicals as the solvent is changed. New applications include estimating temperature dependence and the effect of adding...

  8. Determination of plasma frequency, damping constant, and size distribution from the complex dielectric function of noble metal nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Mendoza Herrera, Luis J.; Arboleda, David Muñetón [Centro de Investigaciones Ópticas (CIOp), (CONICET La Plata-CIC) (Argentina); Schinca, Daniel C.; Scaffardi, Lucía B., E-mail: lucias@ciop.unlp.edu.ar [Centro de Investigaciones Ópticas (CIOp), (CONICET La Plata-CIC) (Argentina); Departamento de Ciencias Básicas, Facultad de Ingeniería, UNLP (Argentina)

    2014-12-21

    This paper develops a novel method for simultaneously determining the plasma frequency ω{sub P}   and the damping constant γ{sub free} in the bulk damped oscillator Drude model, based on experimentally measured real and imaginary parts of the metal refractive index in the IR wavelength range, lifting the usual approximation that restricts frequency values to the UV-deep UV region. Our method was applied to gold, silver, and copper, improving the relative uncertainties in the final values for ω{sub p} (0.5%–1.6%) and for γ{sub free} (3%–8%), which are smaller than those reported in the literature. These small uncertainties in ω{sub p} and γ{sub free} determination yield a much better fit of the experimental complex dielectric function. For the case of nanoparticles (Nps), a series expansion of the Drude expression (which includes ω{sub p} and γ{sub free} determined using our method) enables size-dependent dielectric function to be written as the sum of three terms: the experimental bulk dielectric function plus two size corrective terms, one for free electron, and the other for bound-electron contributions. Finally, size distribution of nanometric and subnanometric gold Nps in colloidal suspension was determined through fitting its experimental optical extinction spectrum using Mie theory based on the previously determined dielectric function. Results are compared with size histogram obtained from Transmission Electron Microscopy (TEM)

  9. Nanocrystals of a new complex perovskite dielectric Ba{sub 2}TmSbO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Nair, V.M. [Department of Physics, University College, Trivandrum 695034, Kerala (India); Jose, R., E-mail: rjose@ump.edu.my [Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang, 26300 Kuantan (Malaysia); Anil Kumar, G.M. [Noritake Co Ltd, 300 Higashiyama, Miyoshi, Aichi 470-0293 (Japan); Yusoff, Mashitah M. [Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang, 26300 Kuantan (Malaysia); Wariar, P.R.S. [Department of Physics, University College, Trivandrum 695034, Kerala (India)

    2012-01-25

    Highlights: Black-Right-Pointing-Pointer A new material, Ba{sub 2}TmSbO{sub 6}, has been synthesized as nanocrystals for the first time. Black-Right-Pointing-Pointer A combustion process, characterized by a one-pot procedure, was adopted to synthesize Ba{sub 2}TmSbO{sub 6} as nanocrystals. Black-Right-Pointing-Pointer Crystal structure and dielectric properties of the Ba{sub 2}TmSbO{sub 6} have been studied and compared with similar materials. - Abstract: Nanocrystals of a new complex perovskites ceramic oxide, barium thulium antimony oxide - Ba{sub 2}TmSbO{sub 6}, were synthesized using a single step auto-ignition combustion process. The combustion product was single phase and composed of aggregates of nanocrystals of sizes in the range 20-50 nm. Ba{sub 2}TmSbO{sub 6} crystallized in cubic perovskite structure with lattice parameter, a = 8.4101 Angstrom-Sign . The polycrystalline fluffy combustion product was sintered to high density ({approx}97%) at {approx}1450 Degree-Sign C for 4 h. Resistivity of the sintered specimen was {approx}5 M{Omega}/cm. The Ba{sub 2}TmSbO{sub 6} has dielectric constant ({epsilon} Prime ) and dielectric loss (tan {delta}) of 17 and {approx}10{sup -4} at 5 MHz; the new material would probably be developed as a low-loss dielectric material.

  10. On the role of a solvent in complexing of copper (1) and cadmium(2) with thiourea derivatives

    International Nuclear Information System (INIS)

    Movchan, V.V.; Tulyupa, F.M.; Bajbarova, E.Ya.

    1979-01-01

    Potentometric method has been employed to study the complex formation of Cu(1) and Cd(2) with certain thiourea derivatiVes in water mixtures with formamide and dimethylsulfoxide. The stepwise constants of formation are calculated. Complex compounds in the solid state were isolated from dimethylsulfoxide and formamide solutions. Their composition and thermal stability were determined and infrared spectra recorded. The effect of the solvent on the composition and stability of the forming complexes is not simple, and involves essential stages of solvatation of the complex particle and formation of mixed complexes [Me(Lsub(n)Sm]sup(k+)

  11. Electrochemical reactions of uranyl(VI) complexes in aqueous solution, non-aqueous solvents, and ionic liquids

    International Nuclear Information System (INIS)

    Ikeda, Yasuhisa

    2006-01-01

    Author's recent experimental results on the chemistry of U(V) in aqueous solution, non-aqueous solvents, and ionic solvents by cyclic voltametry are described. The U(V) was produced by electrochemical reduction of uranyl U(VI) ions or complexes such as carbonates, DMF(N, N-dimethylformamide), DMSO(dimethylsulfoxide), acetylacetonato, and other organic polydental ligands. The produced U(V) complexes were studied by spectrophotometry using optical-transmission thin-layer electrode. The U(V) complexes in non-aqueous solvents were found to be rather stable, they undergo ligand-dissociation reaction but not disproportionation reaction. The structure and electronic spectra as well as IR spectra of the complexes were studied. The present method was further developed to study the behavior of U(V) complexes in ionic liquids as molten salts, e.g., alkaline metals chlorides. Thus, the present research contributes to understanding the chemistry of 5fl system. Application to such nuclear technology as spent fuel reprocessing is discussed. (S. Ohno)

  12. MP2, DFT-D, and PCM study of the HMB-TCNE complex: Thermodynamics, electric properties, and solvent effects

    Science.gov (United States)

    Kysel, Ondrej; Budzák, Scaronimon; Medveď, Miroslav; Mach, Pavel

    Geometry, thermodynamic, and electric properties of the pi-EDA complex between hexamethylbenzene (HMB) and tetracyanoethylene (TCNE) are investigated at the MP2/6-31G* and, partly, DFT-D/6-31G* levels. Solvent effects on the properties are evaluated using the PCM model. Fully optimized HMB-TCNE geometry in gas phase is a stacking complex with an interplanar distance 2.87 × 10-10 m and the corresponding BSSE corrected interaction energy is -51.3 kJ mol-1. As expected, the interplanar distance is much shorter in comparison with HF and DFT results. However the crystal structures of both (HMB)2-TCNE and HMB-TCNE complexes have interplanar distances somewhat larger (3.18 and 3.28 × 10-10 m, respectively) than our MP2 gas phase value. Our estimate of the distance in CCl4 on the basis of PCM solvent effect study is also larger (3.06-3.16 × 10-10 m). The calculated enthalpy, entropy, Gibbs energy, and equilibrium constant of HMB-TCNE complex formation in gas phase are: DeltaH0 = -61.59 kJ mol-1, DeltaSc0 = -143 J mol-1 K-1, DeltaG0 = -18.97 kJ mol-1, and K = 2,100 dm3 mol-1. Experimental data, however, measured in CCl4 are significantly lower: DeltaH0 = -34 kJ mol-1, DeltaSc0 = -70.4 J mol-1 K-1, DeltaG0 = -13.01 kJ mol-1, and K = 190 dm3 mol-1. The differences are caused by solvation effects which stabilize more the isolated components than the complex. The total solvent destabilization of Gibbs energy of the complex relatively to that of components is equal to 5.9 kJ mol-1 which is very close to our PCM value 6.5 kJ mol-1. MP2/6-31G* dipole moment and polarizabilities are in reasonable agreement with experiment (3.56 D versus 2.8 D for dipole moment). The difference here is due to solvent effect which enlarges interplanar distance and thus decreases dipole moment value. The MP2/6-31G* study supplemented by DFT-D parameterization for enthalpy calculation, and by the PCM approach to include solvent effect seems to be proper tools to elucidate the properties of pi

  13. Characterization of inclusion complexes of organic ions with hydrophilic hosts by ion transfer voltammetry with solvent polymeric membranes.

    Science.gov (United States)

    Olmos, José Manuel; Laborda, Eduardo; Ortuño, Joaquín Ángel; Molina, Ángela

    2017-03-01

    The quantitative characterization of inclusion complexes formed in aqueous phase between organic ions and hydrophilic hosts by ion-transfer voltammetry with solvent polymeric membrane ion sensors is studied, both in a theoretical and experimental way. Simple analytical solutions are presented for the determination of the binding constant of the complex from the variation with the host concentration of the electrochemical signal. These solutions are valid for any voltammetric technique and for solvent polymeric membrane ion sensors comprising one polarisable interface (1PI) and also, for the first time, two polarisable interfaces (2PIs). Suitable experimental conditions and data analysis procedures are discussed and applied to the study of the interactions of a common ionic liquid cation (1-octyl-3-metyl-imidazolium) and an ionisable drug (clomipramine) with two hydrophilic cyclodextrins: α-cyclodextrin and 2-hydroxypropyl-β-cyclodextrin. The experimental study is performed via square wave voltammetry with 2PIs and 1PI solvent polymeric membranes and in both cases the electrochemical experiments enable the detection of inclusion complexes and the determination of the corresponding binding constant. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Some regularities in formation and solvent extraction of complexes in metal-salicylic acid or its derivative- organic base systems

    International Nuclear Information System (INIS)

    Alimarin, I.P.; Fadeeva, V.I.; Tikhomirova, T.I.

    1982-01-01

    The influence of concentrations of the reagents, pH and solvent on the conditions for the formation and extraction of Sc, Ti, Zr, Hf, Th complexes has been examined in salicylic acid (H 2 Sal)-heterocyclic amine systems. The extraction chemism and factors, which affect the reactions between the metal ions and the ligands, are discussed. It has been shown that Zr, Hf, Ti form species of ion associate type, Sc and Th form different-ligand complexes under conditions for interphase equilibrium in a Me-H 2 Sal-heterocyclic amine system

  15. Dielectrics in electric fields

    CERN Document Server

    Raju, Gorur G

    2003-01-01

    Discover nontraditional applications of dielectric studies in this exceptionally crafted field reference or text for seniors and graduate students in power engineering tracks. This text contains more than 800 display equations and discusses polarization phenomena in dielectrics, the complex dielectric constant in an alternating electric field, dielectric relaxation and interfacial polarization, the measurement of absorption and desorption currents in time domains, and high field conduction phenomena. Dielectrics in Electric Fields is an interdisciplinary reference and text for professionals and students in electrical and electronics, chemical, biochemical, and environmental engineering; physical, surface, and colloid chemistry; materials science; and chemical physics.

  16. Dielectric RheoSANS - Simultaneous Interrogation of Impedance, Rheology and Small Angle Neutron Scattering of Complex Fluids.

    Science.gov (United States)

    Richards, Jeffrey J; Gagnon, Cedric V L; Krzywon, Jeffery R; Wagner, Norman J; Butler, Paul D

    2017-04-10

    A procedure for the operation of a new dielectric RheoSANS instrument capable of simultaneous interrogation of the electrical, mechanical and microstructural properties of complex fluids is presented. The instrument consists of a Couette geometry contained within a modified forced convection oven mounted on a commercial rheometer. This instrument is available for use on the small angle neutron scattering (SANS) beamlines at the National Institute of Standards and Technology (NIST) Center for Neutron Research (NCNR). The Couette geometry is machined to be transparent to neutrons and provides for measurement of the electrical properties and microstructural properties of a sample confined between titanium cylinders while the sample undergoes arbitrary deformation. Synchronization of these measurements is enabled through the use of a customizable program that monitors and controls the execution of predetermined experimental protocols. Described here is a protocol to perform a flow sweep experiment where the shear rate is logarithmically stepped from a maximum value to a minimum value holding at each step for a specified period of time while frequency dependent dielectric measurements are made. Representative results are shown from a sample consisting of a gel composed of carbon black aggregates dispersed in propylene carbonate. As the gel undergoes steady shear, the carbon black network is mechanically deformed, which causes an initial decrease in conductivity associated with the breaking of bonds comprising the carbon black network. However, at higher shear rates, the conductivity recovers associated with the onset of shear thickening. Overall, these results demonstrate the utility of the simultaneous measurement of the rheo-electro-microstructural properties of these suspensions using the dielectric RheoSANS geometry.

  17. Effects of Complex Structured Anodic Oxide Dielectric Layer Grown in Pore Matrix for Aluminum Capacitor.

    Science.gov (United States)

    Shin, Jin-Ha; Yun, Sook Young; Lee, Chang Hyoung; Park, Hwa-Sun; Suh, Su-Jeong

    2015-11-01

    Anodization of aluminum is generally divided up into two types of anodic aluminum oxide structures depending on electrolyte type. In this study, an anodization process was carried out in two steps to obtain high dielectric strength and break down voltage. In the first step, evaporated high purity Al on Si wafer was anodized in oxalic acidic aqueous solution at various times at a constant temperature of 5 degrees C. In the second step, citric acidic aqueous solution was used to obtain a thickly grown sub-barrier layer. During the second anodization process, the anodizing potential of various ranges was applied at room temperature. An increased thickness of the sub-barrier layer in the porous matrix was obtained according to the increment of the applied anodizing potential. The microstructures and the growth of the sub-barrier layer were then observed with an increasing anodizing potential of 40 to 300 V by using a scanning electron microscope (SEM). An impedance analyzer was used to observe the change of electrical properties, including the capacitance, dissipation factor, impedance, and equivalent series resistance (ESR) depending on the thickness increase of the sub-barrier layer. In addition, the breakdown voltage was measured. The results revealed that dielectric strength was improved with the increase of sub-barrier layer thickness.

  18. Solute-solvent complex switching dynamics of chloroform between acetone and dimethylsulfoxide-two-dimensional IR chemical exchange spectroscopy.

    Science.gov (United States)

    Kwak, Kyungwon; Rosenfeld, Daniel E; Chung, Jean K; Fayer, Michael D

    2008-11-06

    Hydrogen bonds formed between C-H and various hydrogen bond acceptors play important roles in the structure of proteins and organic crystals, and the mechanisms of C-H bond cleavage reactions. Chloroform, a C-H hydrogen bond donor, can form weak hydrogen-bonded complexes with acetone and with dimethylsulfoxide (DMSO). When chloroform is dissolved in a mixed solvent consisting of acetone and DMSO, both types of hydrogen-bonded complexes exist. The two complexes, chloroform-acetone and chloroform-DMSO, are in equilibrium, and they rapidly interconvert by chloroform exchanging hydrogen bond acceptors. This fast hydrogen bond acceptor substitution reaction is probed using ultrafast two-dimensional infrared (2D-IR) vibrational echo chemical exchange spectroscopy. Deuterated chloroform is used in the experiments, and the 2D-IR spectrum of the C-D stretching mode is measured. The chemical exchange of the chloroform hydrogen bonding partners is tracked by observing the time-dependent growth of off-diagonal peaks in the 2D-IR spectra. The measured substitution rate is 1/30 ps for an acetone molecule to replace a DMSO molecule in a chloroform-DMSO complex and 1/45 ps for a DMSO molecule to replace an acetone molecule in a chloroform-acetone complex. Free chloroform exists in the mixed solvent, and it acts as a reactive intermediate in the substitution reaction, analogous to a SN1 type reaction. From the measured rates and the equilibrium concentrations of acetone and DMSO, the dissociation rates for the chloroform-DMSO and chloroform-acetone complexes are found to be 1/24 ps and 1/5.5 ps, respectively. The difference between the measured rate for the complete substitution reaction and the rate for complex dissociation corresponds to the diffusion limited rate. The estimated diffusion limited rate agrees well with the result from a Smoluchowski treatment of diffusive reactions.

  19. Evaluating the complexation behavior and regeneration of boron selective glucaminium-based ionic liquids when used as extraction solvents

    International Nuclear Information System (INIS)

    Joshi, Manishkumar D.; Steyer, Daniel J.; Anderson, Jared L.

    2012-01-01

    Highlights: ► Glucaminium-based ILs exhibit high selectivity for boron species using DLLME. ► The concentration of glucaminium-based IL affects type of boron complex formed. ► Use of 0.1 M HCl allows for regeneration of the IL solvent following extraction. ► Selectivity of the glucaminium-based ILs for boron species in seawater is similar to Milli-Q water. - Abstract: Glucaminium-based ionic liquids are a new class of solvents capable of extracting boron-species from water with high efficiency. The complexation behavior of these ILs with borate was thoroughly studied using 11 B NMR. Two different complexes, namely, monochelate complex and bischelate complex, were observed. 11 B NMR was used extensively to determine the formation constants for monochelate and bischelate complexes. The IL concentration was observed to have a significant effect on the IL–borate complexes. Using an in situ dispersive liquid–liquid microextraction (in situ DLLME) method, the extraction efficiency for boron species was increased dramatically when lithium bis[(trifluoromethyl)sulfonyl]imide (LiNTf 2 ) was used as the metathesis salt in an aqueous solution containing 0.1 M sodium chloride. IL regeneration after extraction was achieved using 0.1 M hydrochloric acid. The extraction efficiency of boron species was consistent when the IL was employed after three regeneration cycles. The selectivity of the IL for boron species in synthetic seawater samples was similar to performing the same extraction from Milli-Q water samples.

  20. Lattices of dielectric resonators

    CERN Document Server

    Trubin, Alexander

    2016-01-01

    This book provides the analytical theory of complex systems composed of a large number of high-Q dielectric resonators. Spherical and cylindrical dielectric resonators with inferior and also whispering gallery oscillations allocated in various lattices are considered. A new approach to S-matrix parameter calculations based on perturbation theory of Maxwell equations, developed for a number of high-Q dielectric bodies, is introduced. All physical relationships are obtained in analytical form and are suitable for further computations. Essential attention is given to a new unified formalism of the description of scattering processes. The general scattering task for coupled eigen oscillations of the whole system of dielectric resonators is described. The equations for the  expansion coefficients are explained in an applicable way. The temporal Green functions for the dielectric resonator are presented. The scattering process of short pulses in dielectric filter structures, dielectric antennas  and lattices of d...

  1. Theoretical insight into the solvent effect of H2O and formamide on the cooperativity effect in HMX complex.

    Science.gov (United States)

    Meng, Rui-Hong; Cao, Xiong; Hu, Shuang-Qi; Hu, Li-Shuang

    2017-08-01

    The cooperativity effects of the H-bonding interactions in HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane)∙∙∙HMX∙∙∙FA (formamide), HMX∙∙∙HMX∙∙∙H 2 O and HMX∙∙∙HMX∙∙∙HMX complexes involving the chair and chair-chair HMX are investigated by using the ONIOM2 (CAM-B3LYP/6-31++G(d,p):PM3) and ONIOM2 (M06-2X/6-31++G(d,p):PM3) methods. The solvent effect of FA or H 2 O on the cooperativity effect in HMX∙∙∙HMX∙∙∙HMX are evaluated by the integral equation formalism polarized continuum model. The results show that the cooperativity and anti-cooperativity effects are not notable in all the systems. Although the effect of solvation on the binding energy of ternary system HMX∙∙∙HMX∙∙∙HMX is not large, that on the cooperativity of H-bonds is notable, which leads to the mutually strengthened H-bonding interaction in solution. This is perhaps the reason for the formation of different conformation of HMX in different solvent. Surface electrostatic potential and reduced density gradient are used to reveal the nature of the solvent effect on cooperativity effect in HMX∙∙∙HMX∙∙∙HMX. Graphical abstract RDG isosurface and electrostatic potential surface of HMX∙∙∙HMX∙∙∙HMX.

  2. A thermodynamic study of complexation process between N, N'-dipyridoxylidene(1,4-butanediamine) and Cd2+ in some binary mixed solvents using conductometry

    Science.gov (United States)

    Ebrahimpoor, Sonia; Khoshnood, Razieh Sanavi; Beyramabadi, S. Ali

    2016-12-01

    Complexation of the Cd2+ ion with N, N'-dipyridoxylidene(1,4-butanediamine) Schiff base was studied in pure solvents including acetonitrile (AN), ethanol (EtOH), methanol (MeOH), tetrahydrofuran (THF), dimethylformamide (DMF), water (H2O), and various binary solvent mixtures of acetonitrile-ethanol (AN-EtOH), acetonitrile-methanol (AN-MeOH), acetonitrile-tetrahydrofuran (AN-THF), acetonitrile-dimethylformamide (AN-DMF), and acetonitrile-water (AN-H2O) systems at different temperatures using the conductometric method. The conductance data show that the stoichiometry of complex is 1: 1 [ML] in all solvent systems. A non-linear behavior was observed for changes of log K f of [Cd( N, N'-dipyridoxylidene(1,4-butanediamine)] complex versus the composition of the binary mixed solvents, which was explained in terms of solvent-solvent interactions. The results show that the thermodynamics of complexation reaction is affected by the nature and composition of the mixed solvents.

  3. Study of complexation process between 4'-nitrobenzo-15-crown-5 and yttrium(III) cation in binary mixed non-aqueous solvents using conductometric method

    Science.gov (United States)

    Habibi, N.; Rounaghi, G. H.; Mohajeri, M.

    2012-12-01

    The complexation reaction of macrocyclic ligand (4'-nitrobenzo-15C5) with Y3+ cation was studied in acetonitrile-methanol (AN-MeOH), acetonitrile-ethanol (AN-EtOH), acetonitrile-dimethylformamide (AN-DMF) and ethylacetate-methanol (EtOAc-MeOH) binary mixtures at different temperatures using conductometry method. The conductivity data show that in all solvent systems, the stoichiometry of the complex formed between 4'-nitrobenzo-15C5 and Y3+ cation is 1: 1 (ML). The stability order of (4'-nitrobenzo-15C5). Y3+ complex in pure non-aqueous solvents at 25°C was found to be: EtOAc > EtOH > AN ≈ DMF > MeOH, and in the case of most compositions of the binary mixed solvents at 25°C it was: AN≈MeOH ≈ AN-EtOH > AN-DMF > EtOAc-MeOH. But the results indicate that the sequence of the stability of the complex in the binary mixed solutions changes with temperature. A non-linear behavior was observed for changes of log K f of (4'-nitrobenzo-15C5 · Y3+) complex versus the composition of the binary mixed solvents, which was explained in terms of solvent-solvent interactions and also the hetero-selective solvation of the species involved in the complexation reaction. The values of thermodynamic parameters (Δ H {c/ℴ} and Δ S {c/ℴ}) for formation of the complex were obtained from temperature dependent of the stability constant using the van't Hoff plots. The results represent that in most cases, the complex is both enthalpy and entropy stabilized and the values and also the sign of thermodynamic parameters are influenced by the nature and composition of the mixed solvents.

  4. Stabilization and activation of alpha-chymotrypsin in water-organic solvent systems by complex formation with oligoamines.

    Science.gov (United States)

    Kudryashova, Elena V; Artemova, Tatiana M; Vinogradov, Alexei A; Gladilin, Alexander K; Mozhaev, Vadim V; Levashov, Andrey V

    2003-04-01

    Formation of enzyme-oligoamine complexes was suggested as an approach to obtain biocatalysts with enhanced resistance towards inactivation in water-organic media. Complex formation results in broadening (by 20-40% v/v ethanol) of the range of cosolvent concentrations where the enzyme retains its catalytic activity (stabilization effect). At moderate cosolvent concentrations (20-40% v/v) complex formation activates the enzyme (by 3-6 times). The magnitude of activation and stabilization effects increases with the number of possible electrostatic contacts between the protein surface and the molecules of oligoamines (OA). Circular dichroism spectra in the far-UV region show that complex formation stabilizes protein conformation and prevents aggregation in water-organic solvent mixtures. Two populations of the complexes with different thermodynamic stabilities were found in alpha-chymotrypsin (CT)-OA systems depending on the CT/OA ratio. The average dissociation constants and stoichiometries of both low- and high-affinity populations of the complexes were estimated. It appears that it is the low-affinity sites on the CT surface that are responsible for the activation effect.

  5. Nuclear magnetic resonance study of charge transfer complex formation between Silver Nitrate and Benzylcyanide in Solvent Ethylene Glycol

    CERN Document Server

    Modarress, H

    2003-01-01

    The formation constant for charge transfer complexes between electron acceptor (AgNo sub 3) and electron donor benzylcyanide (C sub 6 H sub 5 -CH sub 2 -C ident to N) in solvent ethyleneglycol [(CH sub 2 OH) sub 2] has been evaluated by using the nuclear magnetic resonance chemical shifts of aromatic group of benzylcyanide measured against external references, tetramethylsilane, hexamethyldisilane and cyclohexane at 20 sup d ig sup C. The external referencing procedure eliminated the interference of internal reference in the course of complexation. The necessary bulk magnetic susceptibility corrections on the measured chemical shifts have been made. The solution nationalised and their effects on the formation constant have been considered and a new equation has been suggested to obtain the main ionic activity coefficient of AgNO sub 3 from nuclear magnetic resonance results. The mean ionic activity coefficient has been taken into account in the formation constant calculations. The results indicated that the a...

  6. Solvent extraction behavior of several elements with long chain amines in the presence of thiourea as a complexing agent

    International Nuclear Information System (INIS)

    Abrao, A.

    1976-01-01

    The solvent estraction behaviour of U, Fe, Cd, In, Zn, Cu, Co, Ni, Mn, Cr, Ag, Bi, Pb, Tl, Ru, Rh, Pd, Pt, Ir, Os, Au, Hg, Sn, and Sb with tri-n-octylamine diluted with benzene, xylene, varsol and methyl-isobutyl-cetone from HCl, HNO 3 , H 2 SO 4 and HI is investigated. The effect of thiourea as a complexing ligand, giving rise to unextracted cationic species of several metallic ions and its consequence in the extraction by the amine is described. The effect of an acidified thiourea solution for scribbing the organic phase is studied as well. It is demonstrated that the stable cationic metal-thiourea complexes are not extracted. The study confirms that the extraction mechanisms is an ion exchange association between the protonated amine and the extracted anionic species. Special emphasis is given to the uranium extraction and its decontamination from several elements. Applications of the new technique are described [pt

  7. Direct Detection of the Ion Pair to Free Ions Transformation upon Complexation with an Ion Receptor in Non‐Polar Solvents by using Conductometry

    Science.gov (United States)

    Iseda, Kazuya

    2018-01-01

    Abstract In this study, we performed conductometry in various organic solvents to directly detect the transformation from tetrabutylammonium chloride (TBACl) ion‐pair salt to the free ions through complexation with meso‐octamethylcalix[4]pyrrole (CP), which is a well‐known receptor for chloride anions. In the presence of CP, the conductivity of TBACl increases in various non‐polar solvents, indicating that complexation with CP enhances the ionic dissociation of TBACl in such non‐polar solvents. In other words, CP recognizes chloride as an ion‐paired salt as well as a free anion in non‐polar solvents. Additionally, the TBA(CP–Cl) complex exhibited a considerably lower ion‐pairing constant (K ip) than TBACl in non‐polar solvents, resulting in enhanced conductivity. Based on these findings, we can conclude that complexation of an anion with a hydrophobic anion receptor will be useful for creating functional and stimuli‐responsive soft materials in organic solvents using coulombic forces. PMID:29610717

  8. Direct Detection of the Ion Pair to Free Ions Transformation upon Complexation with an Ion Receptor in Non-Polar Solvents by using Conductometry.

    Science.gov (United States)

    Iseda, Kazuya; Kokado, Kenta; Sada, Kazuki

    2018-03-01

    In this study, we performed conductometry in various organic solvents to directly detect the transformation from tetrabutylammonium chloride ( TBACl ) ion-pair salt to the free ions through complexation with meso -octamethylcalix[4]pyrrole ( CP ), which is a well-known receptor for chloride anions. In the presence of CP , the conductivity of TBACl increases in various non-polar solvents, indicating that complexation with CP enhances the ionic dissociation of TBACl in such non-polar solvents. In other words, CP recognizes chloride as an ion-paired salt as well as a free anion in non-polar solvents. Additionally, the TBA(CP - Cl ) complex exhibited a considerably lower ion-pairing constant ( K ip ) than TBACl in non-polar solvents, resulting in enhanced conductivity. Based on these findings, we can conclude that complexation of an anion with a hydrophobic anion receptor will be useful for creating functional and stimuli-responsive soft materials in organic solvents using coulombic forces.

  9. Theoretical research on effects of substituents and the solvent on quadruple hydrogen bonded complexes

    Directory of Open Access Journals (Sweden)

    Lingjia Xu

    2007-04-01

    Full Text Available Semiempirical AM1 and INDO/CIS methods were used to study the structures and spectroscopy of hydrogen bonded complexes formed by the oligophenyleneethynylene (monomer A with isophthalic acid (monomer B. The binding energies of the complexes are lowered by increasing electron-donating abilities of the substituents near the hydrogen bonds on monomer A. The first absorptions in the electronic spectra and the vibration frequencies of the N-H bonds in the IR spectra for the complexes are both red-shifted compared with those of the monomers. The presence of dimethylsulfoxide (DMSO can reduce the binding energy of the complex through hydrogen bonding. This results in a blue-shift for the first absorption in the electronic spectrum and red-shift for the vibration frequencies of the N-H bonds in the IR spectrum of the complex.

  10. Inductive dielectric analyzer

    International Nuclear Information System (INIS)

    Agranovich, Daniel; Popov, Ivan; Ben Ishai, Paul; Feldman, Yuri; Polygalov, Eugene

    2017-01-01

    One of the approaches to bypass the problem of electrode polarization in dielectric measurements is the free electrode method. The advantage of this technique is that, the probing electric field in the material is not supplied by contact electrodes, but rather by electromagnetic induction. We have designed an inductive dielectric analyzer based on a sensor comprising two concentric toroidal coils. In this work, we present an analytic derivation of the relationship between the impedance measured by the sensor and the complex dielectric permittivity of the sample. The obtained relationship was successfully employed to measure the dielectric permittivity and conductivity of various alcohols and aqueous salt solutions. (paper)

  11. Radium separation through complexation by aqueous crown ethers and ion exchange or solvent extraction

    Energy Technology Data Exchange (ETDEWEB)

    Chiarizia, R.; Dietz, M.L.; Horwitz, E.P. [Argonne National Lab., IL (United States). Chemistry Div.; Burnett, W.C. [Florida State Univ., Tallahassee, FL (United States). Dept. of Oceanography

    1997-11-01

    The effect of three water-soluble, unsubstituted crown ethers (15-crown-5 (15C5), 18-crown-6 (18C6) and 21-crown-7 (21C7)) on the uptake of Ca, Sr, Ba and Ra cations by a sulfonic acid cation exchange resin, and on the extraction of the same cations by xylene solutions of dinonylnaphthalenesulfonic acid (HDNNS) from aqueous hydrochloric acid solutions has been investigated. The crown ethers enhance the sorption of the larger cations by the ion exchange resin, thereby improving the resin selectivity over calcium, a result of a synergistic interaction between the crown ether and the ionic functional groups of the resin. Similarly, the extraction of the larger alkaline earth cations into xylene by HDNNS is strongly synergized by the presence of the crown ethers in the aqueous phase. Promising results for intra-Group IIa cation separations have been obtained using each of the three crown ethers as the aqueous ligands and the sulfonic acid cation exchange resin. Even greater separation factors for the radium-calcium couple have been measured with the crown-ethers and HDNNS solutions in the solvent extraction mode. The application of the uptake and extraction results to the development of radium separation schemes is discussed and a possible flowchart for the determination of {sup 226}Ra/{sup 228}Ra in natural waters is presented.

  12. Rationalization of Anomalous Pseudocontact Shifts and Their Solvent Dependence in a Series of C3-Symmetric Lanthanide Complexes.

    Science.gov (United States)

    Vonci, Michele; Mason, Kevin; Suturina, Elizaveta A; Frawley, Andrew T; Worswick, Steven G; Kuprov, Ilya; Parker, David; McInnes, Eric J L; Chilton, Nicholas F

    2017-10-11

    Bleaney's long-standing theory of magnetic anisotropy has been employed with some success for many decades to explain paramagnetic NMR pseudocontact shifts, and has been the subject of many subsequent approximations. Here, we present a detailed experimental and theoretical investigation accounting for the anomalous solvent dependence of NMR shifts for a series of lanthanide(III) complexes, namely [LnL 1 ] (Ln = Eu, Tb, Dy, Ho, Er, Tm, and Yb; L 1 : 1,4,7-tris[(6-carboxypyridin-2-yl)methyl]-1,4,7-triazacyclononane), taking into account the effect of subtle ligand flexibility on the electronic structure. We show that the anisotropy of the room temperature magnetic susceptibility tensor, which in turn affects the sign and magnitude of the pseudocontact chemical shift, is extremely sensitive to minimal structural changes in the first coordination sphere of L 1 . We show that DFT structural optimizations do not give accurate structural models, as assessed by the experimental chemical shifts, and thus we determine a magnetostructural correlation and employ this to evaluate the accurate solution structure for each [LnL 1 ]. This approach allows us to explain the counterintuitive pseudocontact shift behavior, as well as a striking solvent dependence. These results have important consequences for the analysis and design of novel magnetic resonance shift and optical emission probes that are sensitive to the local solution environment and polarity.

  13. The complex formation-partition and partition-association models of solvent extraction of ions

    International Nuclear Information System (INIS)

    Siekierski, S.

    1976-01-01

    Two models of the extraction process have been proposed. In the first model it is assumed that the partitioning neutral species is at first formed in the aqueous phase and then transferred into the organic phase. The second model is based on the assumption that equivalent amounts of cations are at first transferred from the aqueous into the organic phase and then associated to form a neutral molecule. The role of the solubility parameter in extraction and the relation between the solubility of liquid organic substances in water and the partition of complexes have been discussed. The extraction of simple complexes and complexes with organic ligands has been discussed using the first model. Partition coefficients have been calculated theoretically and compared with experimental values in some very simple cases. The extraction of ion pairs has been discussed using the partition-association model and the concept of single-ion partition coefficients. (author)

  14. Spectroscopic Behavior of Some A3B Type Tetrapyrrolic Complexes in Several Organic Solvents and Micellar Media

    Directory of Open Access Journals (Sweden)

    Radu Socoteanu

    2011-08-01

    Full Text Available The paper presents spectral studies of some unsymmetrical A3B tetrapyrrolic, porphyrin-type complexes with Cu(II and Zn(II in different solvents and micellar media aimed at estimating their properties in connection with the living cell. The results indicate that the position of the absorption and emission peaks is mostly influenced by the central metal ion and less by the environmental polarity or the peripheric substituents of the porphyrinic core. The comparison between the overall absorption and emission spectra of the compounds in methanol or cyclohexane vs. direct and reverse Triton X micellar systems, respectively, suggests for all compounds the localization at the interface between the polyethylene oxide chains and the tert-octyl-phenyl etheric residue of the Triton X-100 molecules. These findings could be important when testing the compounds embedded in liposomes or other delivery systems to the targeted cell.

  15. Dielectric and complex impedance studies of BaTi0·85W0·15O3+δ ...

    Indian Academy of Sciences (India)

    Keywords. Ferroelectrics; grain boundaries; dielectric response; X-ray diffraction. 1. Introduction. Since the discovery of BaTiO3, these materials have been extensively studied owing to their interesting dielectric, ferroelectric, piezoelectric and pyroelectric properties. (Goodman and Buchanan 1986; Hench and West 1990;.

  16. Complexation of c6-ceramide with cholesteryl phosphocholine - a potent solvent-free ceramide delivery formulation for cells in culture.

    Directory of Open Access Journals (Sweden)

    Pramod Sukumaran

    Full Text Available Ceramides are potent bioactive molecules in cells. However, they are very hydrophobic molecules, and difficult to deliver efficiently to cells. We have made fluid bilayers from a short-chain D-erythro-ceramide (C6-Cer and cholesteryl phosphocholine (CholPC, and have used this as a formulation to deliver ceramide to cells. C6-Cer complexed with CholPC led to much larger biological effects in cultured cells (rat thyroid FRTL-5 and human HeLa cells in culture compared to C6-Cer dissolved in dimethyl sulfoxide (DMSO. Inhibition of cell proliferation and induction of apoptosis was significantly more efficient by C6-Cer/CholPC compared to C6-Cer dissolved in DMSO. C6-Cer/CholPC also permeated cell membranes and caused mitochondrial Ca(2+ influx more efficiently than C6-Cer in DMSO. Even though CholPC was taken up by cells to some extent (from C6-Cer/CholPC bilayers, and was partially hydrolyzed to free cholesterol (about 9%, none of the antiproliferative effects were due to CholPC or excess cholesterol. The ceramide effect was not limited to D-erythro-C6-Cer, since L-erythro-C6-Cer and D-erythro-C6-dihydroCer also inhibited cell priolifereation and affected Ca(2+ homeostasis. We conclude that C6-Cer complexed to CholPC increased the bioavailability of the short-chain ceramide for cells, and potentiated its effects in comparison to solvent-dissolved C6-Cer. This new ceramide formulation appears to be superior to previous solvent delivery approaches, and may even be useful with longer-chain ceramides.

  17. Coupling the capabilities of different complexing agents into deep eutectic solvents to enhance the separation of aromatics from aliphatics

    International Nuclear Information System (INIS)

    Hizaddin, Hanee F.; Sarwono, Mulyono; Hashim, Mohd Ali; Alnashef, Inas M.; Hadj-Kali, Mohamed K.

    2015-01-01

    Highlights: • DESs made of three constituents are used for the separation of hydrocarbon mixture. • Ethylene glycol and pyridine are used as complexing agents for the DESs. • Addition of ethylene glycol results in increased selectivity of aromatics. • Increasing the molar ratio of pyridine improve the distribution ratio. • Ternary LLE results are well correlated with NRTL model and COSMO-RS prediction. - Abstract: (Liquid + liquid) extraction of ethylbenzene from n-octane by using tetrabutylammonium bromide-based deep eutectic solvents (DESs) containing pyridine, ethylene glycol, or a mixture of both complexing agents was investigated at 25 °C and atmospheric pressure. The performance of each DES was determined from the distribution ratio and selectivity values calculated using experimental (liquid + liquid) equilibrium data of the ternary systems ethylbenzene + n-octane + DESs. The DES with only ethylene glycol had a high selectivity but a low distribution ratio, whereas the DES with only pyridine had a high distribution ratio but a low selectivity. For the other DESs, adding pyridine increased the distribution ratio, and increasing the molar ratio of ethylene glycol increased the selectivity. Generally, whenever the selectivity increased, the distribution ratio decreased, and vice versa. The nonrandom two-liquid model was used to correlate the experimental data, and the average root mean square deviation (RMSD) between correlated and experimental tie lines was 1.4%. Moreover, the Conductor-like Screening Model for Real Solvents was successfully used to predict the ternary tie lines for the studied systems with an average RMSD of 3.7%

  18. Influence of the composition of aqueous dimethylsulfoxide solvent on thermodynamics of complexing between 18-crown-6-ether and D,L-alanine

    Science.gov (United States)

    Usacheva, T. R.; Kuzmina, I. A.; Sharnin, V. A.; Chernov, I. V.; Matteoli, E.

    2012-07-01

    Standard thermodynamic parameters (log K o, Δr H o, TΔr S o) of complexing 18-crown-6 ether (18C6) with D,L-alanine (Ala) in mixed water-dimethysulfoxide (H2O-DMSO) solvents are calculated on the basis of calorimetric titration results. A rise in the DMSO concentration in mixed solvent is found to increase stability and increase the exothermicity of the formation of [Ala-18C6] molecular complex. Changes in the reaction energetic are shown to be determined by changes in the solvation state of 18C6 that is the characteristic of the reactions of molecular complex formation between 18C6 and D,L-alanine or glycine in water-organic solvents.

  19. /sup 133/Cs NMR study of Cs/sup +/ ion complexes with dibenzo-21-crown-7 and dibenzo-24-crown-8 in some mixed solvents

    Energy Technology Data Exchange (ETDEWEB)

    Rounaghi, G.; Popov, A.I.

    1986-01-01

    Complexation of the cesium ion with macrocyclic ligands, dibenzo-21-crown-7 and dibenzo-24-crown-8, was studied in binary solvent mixtures of dimethylsulfoxide with acetone, acetonitrile, propylene carbonate, pyridine and hexamethylphosphoramide (HMPA) as well as in pyridine-methanol mixtures. In the first four binary mixtures the complexation constants increased with decreasing amounts of dimethylsulfoxide (DMSO), the trend is reversed in the DMSO-HMPA system. In all of the above cases, the variation of the stability constant with composition was monotonic and showed good correlation with the inherent solvating ability of the neat solvents which form the mixture. In the pyridine-methanol system, however, for both complexes, the log Ksub(f) vs composition plots show several changes in direction. This behavior is probably due to a change in the structure of this binary solvent as the composition of the medium is varied.

  20. 133Cs NMR study of Cs+ ion complexes with dibenzo-21-crown-7 and dibenzo-24-crown-8 in some mixed solvents

    International Nuclear Information System (INIS)

    Rounaghi, G.; Popov, A.I.

    1986-01-01

    Complexation of the cesium ion with macrocyclic ligands, dibenzo-21-crown-7 and dibenzo-24-crown-8, was studied in binary solvent mixtures of dimethylsulfoxide with acetone, acetonitrile, propylene carbonate, pyridine and hexamethylphosphoramide (HMPA) as well as in pyridine-methanol mixtures. In the first four binary mixtures the complexation constants increased with decreasing amounts of dimethylsulfoxide (DMSO), the trend is reversed in the DMSO-HMPA system. In all of the above cases, the variation of the stability constant with composition was monotonic and showed good correlation with the inherent solvating ability of the neat solvents which form the mixture. In the pyridine-methanol system, however, for both complexes, the log Ksub(f) vs composition plots show several changes in direction. This behavior is probably due to a change in the structure of this binary solvent as the composition of the medium is varied. (author)

  1. Measurement of the quantity of water in organic solvents by infrared absorption an measurement of the dielectric constants; Dosage de l'eau dans les solvants organiques par absorption infra-rouge et mesure des constantes dielectriques

    Energy Technology Data Exchange (ETDEWEB)

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

    1959-06-15

    Some chemical methods for the analysis of the quantity of water in solvents are first described, their object being the determination of the maximum error for cases where the water content is less than 1 per cent. - The first part of the work consists in describing infrared spectrometry as applied to the analysis of water in carbon tetrachloride, chloroform aniline, acetone and dioxane. A method based on isotopic exchange between heavy and light water is used on the one hand for determining the solubility of water in carbon tetrachloride and on the other hand for establishing standard solutions (sensitivity of the method). - In the second part the dielectric constant of water solvent solutions is measured. A table is presented giving the precision obtained by the two principal methods. These are comparable and further than that the appearance of the spectra suggests an interpretation of the anomalies observed in calibration curves obtained by the dielectric constant method. (author) [French] Quelques methodes chimiques d'analyses de l'eau dissoute dans les solvants sont decrites tout d'abord en vue de determiner l'erreur maxima dans le cas ou la teneur en eau ne depasse pas 1 pour cent. - Une premiere partie du travail expose la technique utilisee en spectrometrie infrarouge pour doser l'eau dans le tetrachlorure de carbone, chloroforme, aniline, acetone et le dioxane. Une methode basee sur l'echange isotopique entre l'eau legere et l'eau lourde permet de determiner d'une part la solubilite de l'eau dans le tetrachlorure de carbone et le chloroforme et d'autre part le titre en valeur absolue des solutions etalons (sensibilite de la methode). - Dans une deuxieme partie, on mesure la constante dielectrique des solutions eau-solvant. On dresse un tableau des precisions obtenues par les deux methodes principales. Celles-ci sont comparables et en outre, l'aspect du spectre suggere une interpretation des anomalies observees dans les courbes d'etalonnage tracees par la

  2. Solvent extraction of tricomponent complexes of zirconium and scandium with salicylic acid and collidine

    International Nuclear Information System (INIS)

    Kochetkova, S.K.; Fadeeva, V.I.; Kalistratova, V.P.

    1976-01-01

    Extraction of tricomponent compounds of zirconium and scandium with salicylic acid (Sal) and collidine (Col) has been studied. Addition of Col widens considerably the pH range of maximum extraction of zirconium salicylate and makes it possible to extract quantitatively both zirconium and scandium in the following pH range: scandium at pH 3.8-5.2; zirconium at pH 2-4. Optimum concentrations of salicylic acid and collidine are 0.05 mol/l and 0.375 mol/l, respectively. The composition of the complexes being extracted has been studied by the shift equilibrium method. Chloroform extracts complexes having the ratio Zr:Sal:Col=1:2:1(pH=3); Sc:Sal:Col=1:3:1(pH=4), and 1:2:1(pH=5). The composition of the complexes being formed is assumed to be [Zr(OH) 3 (HSal) 2 ] - [ColH + ] (pH=3); Sc(HSal) 3 xCol (pH=4.0); Sc(OH)(HSal) 2 xCol (pH=5.0). Extraction of collidine-salicylate complexes of Hf, Th, La, and Y under the conditions of optimum extraction of zirconium and scandium has been investigated when concentration of Zr and Sc in the solution is 3.0.10μ- 5 -1.37.10 -4 mol/l, respectively. It has been shown that hafnium is extracted quantitatively (95-100%) at pH 2.3-4.6; thorium at pH 3.0-6.4; 60% of yttrium is extracted at pH 4.0-4.8; 25% of lanthanum is extracted at pH 3.3-4.9. At pH 2.0 it is possible to separate Zr from Sc,Y, and La; at pH 1.4-1.5 from small amounts of Hf and Tn. Separation of zirconium, from small amounts of hafnium, 10-fold amounts of thorium, 100-fold amounts of scandium and lanthanum is also possible

  3. Solvent extraction of tricomponent complexes of zirconium and scandium with salicylic acid and collidine

    Energy Technology Data Exchange (ETDEWEB)

    Kochetkova, S K; Fadeeva, V I; Kalistratova, V P [Moskovskij Gosudarstvennyj Univ. (USSR)

    1976-01-01

    Extraction of tricomponent compounds of zirconium and scandium with salicylic acid (Sal) and collidine (Col) has been studied. Addition of Col widens considerably the pH range of maximum extraction of zirconium salicylate and makes it possible to extract quantitatively both zirconium and scandium in the following pH range: scandium at pH 3.8-5.2; zirconium at pH 2-4. Optimum concentrations of salicylic acid and collidine are 0.05 mol/l and 0.375 mol/l, respectively. The composition of the complexes being extracted has been studied by the shift equilibrium method. Chloroform extracts complexes having the ratio Zr:Sal:Col=1:2:1(pH=3); Sc:Sal:Col=1:3:1(pH=4), and 1:2:1(pH=5). The composition of the complexes being formed is assumed to be (Zr(OH)/sub 3/(HSal)/sub 2/)/sup -/(ColH/sup +/) (pH=3); Sc(HSal)/sub 3/xCol (pH=4.0); Sc(OH)(HSal)/sub 2/xCol (pH=5.0). Extraction of collidine-salicylate complexes of Hf, Th, La, and Y under the conditions of optimum extraction of zirconium and scandium has been investigated when concentration of Zr and Sc in the solution is 3.0.10..mu..-/sup 5/-1.37.10/sup -4/ mol/l, respectively. It has been shown that hafnium is extracted quantitatively (95-100%) at pH 2.3-4.6; thorium at pH 3.0-6.4; 60% of yttrium is extracted at pH 4.0-4.8; 25% of lanthanum is extracted at pH 3.3-4.9. At pH 2.0 it is possible to separate Zr from Sc,Y, and La; at pH 1.4-1.5 from small amounts of Hf and Tn. Separation of zirconium, from small amounts of hafnium, 10-fold amounts of thorium, 100-fold amounts of scandium and lanthanum is also possible.

  4. Evidence of solvent-dependent complexation in non-ionic polymer-salt systems

    International Nuclear Information System (INIS)

    Hakem, I.F.; Lal, J.

    2002-01-01

    Small angle neutron scattering measurements have been performed on polyethylene oxide (PEO)-salt solutions. An attempt is made to characterize experimentally the scattering behavior of aqueous (D 2 O) polyethylene oxide and PEO-methanol solutions in the presence of potassium iodide (KI). In water solution, no interactions were observed with KI and PEO. However, in methanol a definite indication of complex formation was found. Addition of KI to a solution of PEO in methanol shows a large change in interchain interaction and chain conformation. (orig.)

  5. Solvents and solvent effects in organic chemistry

    National Research Council Canada - National Science Library

    Reichardt, C; Welton, T

    2011-01-01

    .../guest complexation equilibria and reactions in biphasic solvent systems and neoteric solvents, respectively. More than 900 new references have been added, giving preference to review articles, and many older ones have been deleted. New references either replace older ones or are added to the end of the respective reference list of each chapter. Th...

  6. Vacancy-fluorine complexes and their impact on the properties of metal-oxide transistors with high-k gate dielectrics studied using monoenergetic positron beams

    Science.gov (United States)

    Uedono, A.; Inumiya, S.; Matsuki, T.; Aoyama, T.; Nara, Y.; Ishibashi, S.; Ohdaira, T.; Suzuki, R.; Miyazaki, S.; Yamada, K.

    2007-09-01

    Vacancy-fluorine complexes in metal-oxide semiconductors (MOS) with high-k gate dielectrics were studied using a positron annihilation technique. F+ ions were implanted into Si substrates before the deposition of gate dielectrics (HfSiON). The shift of threshold voltage (Vth) in MOS capacitors and an increase in Fermi level position below the HfSiON/Si interface were observed after F+ implantation. Doppler broadening spectra of the annihilation radiation and positron lifetimes were measured before and after HfSiON fabrication processes. From a comparison between Doppler broadening spectra and those obtained by first-principles calculation, the major defect species in Si substrates after annealing treatment (1050 °C, 5 s) was identified as vacancy-fluorine complexes (V3F2). The origin of the Vth shift in the MOS capacitors was attributed to V3F2 located in channel regions.

  7. Nuclear magnetic resonance study of charge transfer complex formation between Silver Nitrate and Benzylcyanide in Solvent Ethylene Glycol

    International Nuclear Information System (INIS)

    Modarress, H.; Shekaari, H.

    2003-01-01

    The formation constant for charge transfer complexes between electron acceptor (AgNo 3 ) and electron donor benzylcyanide (C 6 H 5 -CH 2 -C≡N) in solvent ethyleneglycol [(CH 2 OH) 2 ] has been evaluated by using the nuclear magnetic resonance chemical shifts of aromatic group of benzylcyanide measured against external references, tetramethylsilane, hexamethyldisilane and cyclohexane at 20 d ig C . The external referencing procedure eliminated the interference of internal reference in the course of complexation. The necessary bulk magnetic susceptibility corrections on the measured chemical shifts have been made. The solution nationalised and their effects on the formation constant have been considered and a new equation has been suggested to obtain the main ionic activity coefficient of AgNO 3 from nuclear magnetic resonance results. The mean ionic activity coefficient has been taken into account in the formation constant calculations. The results indicated that the appropriate formation constant should be expressed in terms of activities. Also an equation have been derived to eliminate the undesirable effects on the nuclear magnetic resonance measured chemical shifts in calculating the constant. The selection of concentration domains and its effect on the calculated formation constant has been discussed and the new equation is modified to be independent of the concentration domains. In this equation the solution nationalised, by considering coefficients, have been taken in to account

  8. Rapid phenolic O-glycosylation of small molecules and complex unprotected peptides in aqueous solvent

    Science.gov (United States)

    Wadzinski, Tyler J.; Steinauer, Angela; Hie, Liana; Pelletier, Guillaume; Schepartz, Alanna; Miller, Scott J.

    2018-06-01

    Glycosylated natural products and synthetic glycopeptides represent a significant and growing source of biochemical probes and therapeutic agents. However, methods that enable the aqueous glycosylation of endogenous amino acid functionality in peptides without the use of protecting groups are scarce. Here, we report a transformation that facilitates the efficient aqueous O-glycosylation of phenolic functionality in a wide range of small molecules, unprotected tyrosine, and tyrosine residues embedded within a range of complex, fully unprotected peptides. The transformation, which uses glycosyl fluoride donors and is promoted by Ca(OH)2, proceeds rapidly at room temperature in water, with good yields and selective formation of unique anomeric products depending on the stereochemistry of the glycosyl donor. High functional group tolerance is observed, and the phenol glycosylation occurs selectively in the presence of virtually all side chains of the proteinogenic amino acids with the singular exception of Cys. This method offers a highly selective, efficient, and operationally simple approach for the protecting-group-free synthesis of O-aryl glycosides and Tyr-O-glycosylated peptides in water.

  9. A combined diffraction and dielectric properties investigation of Ba3MnNb2O9 complex perovskites

    International Nuclear Information System (INIS)

    Liu Yun; Withers, Ray L.; Whichello, A.P.; Noren, Lasse; Ting, Valeska; Brink, Frank; Fitz Gerald, John D.

    2005-01-01

    A combined synthesis, diffraction and dielectric properties investigation of the dependence (and effect) of Mn 2+ /Nb 5+ ordering in Ba 3 MnNb 2 O 9 (BMN) upon annealing atmosphere and processing conditions has been carried out. Annealing in different atmospheres was not found to significantly alter either nominal stoichiometry or structure type. The obtained structure type (disordered metrically cubic or ordered trigonal) as well as the measured electrical properties (in particular, the dielectric loss) were, however, found to be sensitive to the synthesis route. Samples obtained via solid-state reaction were found to be predominantly of 1:2 Mn 2+ /Nb 5+ ordered, P3-bar m1 trigonal structure type whereas samples obtained via an aqueous solution route were found to be of a Mn 2+ /Nb 5+ 'disordered', metrically cubic structure type. All solid-state synthesized samples showed reasonable dielectric properties. The microwave dielectric constant and dielectric quality factor, Q, at 8GHz of an as-synthesized BMN sample were 38 and 100, respectively. By contrast, the dielectric loss of the metrically cubic, Mn 2+ /Nb 5+ 'disordered' samples obtained via an aqueous solution synthesis process were significantly worse

  10. The effect of specific solvent-solute interactions on complexation of alkali-metal cations by a lower-rim calix[4]arene amide derivative.

    Science.gov (United States)

    Horvat, Gordan; Stilinović, Vladimir; Kaitner, Branko; Frkanec, Leo; Tomišić, Vladislav

    2013-11-04

    Complexation of alkali-metal cations with calix[4]arene secondary-amide derivative, 5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetra(N-hexylcarbamoylmethoxy)calix[4]arene (L), in benzonitrile (PhCN) and methanol (MeOH) was studied by means of microcalorimetry, UV and NMR spectroscopies, and in the solid state by X-ray crystallography. The inclusion of solvent molecules (including acetonitrile, MeCN) in the calixarene hydrophobic cavity was also investigated. The classical molecular dynamics (MD) simulations of the systems studied were carried out. By combining the results obtained using the mentioned experimental and computational techniques, an attempt was made to get an as detailed insight into the complexation reactions as possible. The thermodynamic parameters, that is, equilibrium constants, reaction Gibbs energies, enthalpies, and entropies, of the investigated processes were determined and discussed. The stability constants of the 1:1 (metal:ligand) complexes measured by different methods were in very good agreement. Solution Gibbs energies of the ligand and its complexes with Na(+) and K(+) in methanol and acetonitrile were determined. It was established that from the thermodynamic point of view, apart from cation solvation, the most important reason for the huge difference in the stability of these complexes in the two solvents lay in the fact that the transfer of complex species from MeOH to MeCN was quite favorable. That could be at least partly explained by a more exergonic inclusion of the solvent molecule in the complexed calixarene cone in MeCN as compared to MeOH, which was supported by MD simulations. Molecular and crystal structures of the lithium cation complex of L with the benzonitrile molecule bound in the hydrophobic calixarene cavity were determined by single-crystal X-ray diffraction. As far as we are aware, for the first time the alkali-metal cation was found to be coordinated by the solvent nitrile group in a calixarene adduct. According to

  11. Using Pd-salen complex as an efficient catalyst for the copper- and solvent-free coupling of acyl chlorides with terminal alkynes under aerobic conditions

    Institute of Scientific and Technical Information of China (English)

    Mohammad

    2010-01-01

    The palladium-salen complex palladium(Ⅱ) N,N'-bis{[5-(triphenylphosphonium)-methyl]salicylidene}-l,2-ethanediamine chloride was found to be a highly active catalyst for the copper- and solvent-free coupling reaction of terminal alkynes with different acyl chlorides in the presence of triethylamine as base, giving excellent ynones under aerobic conditions.

  12. Dependence of the enthalpies of formation of glycylglycinate complexes of nickel(II) on the composition of a mixed water-dimethylsulfoxide solvent

    Science.gov (United States)

    Naumov, V. V.; Kovaleva, Yu. A.; Isaeva, V. A.; Usacheva, T. R.; Sharnin, V. A.

    2014-06-01

    The heat effects of the complexation reactions of nickel(II) with a glycylglycinate ion in a water-dimethylsulfoxide solvent in a range of compositions of 0.00-0.60 molar parts of dimethylsulfoxide (DMSO) (an ionic strength of 0.1 was maintained using sodium perchlorate) were determined by means of calorimetry at 298.15 K. It is established that the exothermicity of complexation reactions rises by the first two steps and falls upon the addition of a third glycylglycinate anion with an increase in the concentration of DMSO. It is shown that the formation of mono- and bis-glycylglycinate complexes of nickel(II) in a water-DMSO solvent is determined mostly by the enthalpic contribution. It is concluded that the formation of tris-ligand complexes is more associated with the entropic contribution.

  13. Estimation of rare earth elements in uranium matrix after solvent extraction of uranium as uranium-antipyrine-anion complex using chloroform as solvent

    International Nuclear Information System (INIS)

    Bose, Roopa; Murthy, D.S.R.; Malhotra, R.K.

    1999-01-01

    The neutron economy in a nuclear reactor dictates the occurrence of neutron absorbers at very low levels. Hence the determination of lanthanides especially Sm, Eu, Gd and Dy is one of the most difficult and complicated analytical tasks particularly in high uranium matrix. Solvent extraction is a potent and versatile technique for the separation of lanthanides. The systems generally used for lanthanide extraction are TBP-nitrate, TBP-chloride, TBP-thiocyanate TOPO, DEHPA-nitrate etc. However, these methods of extraction of lanthanides fail to give a clear cut separation for their determination from uranium matrix. Hence analytical procedures have been standardised for extraction of uranium matrix into the organic phase leaving lanthanides unextracted in the aqueous phase. In this direction Cyanex-923 a mixture of 4 trialkyl phosphine oxides, TBP- TOPO and trioctylamine in xylene have been used for extraction of uranium and consequent determination of lanthanides by ICP-AES in the aqueous phase. In this paper the authors have investigated uranium -antipyrine -anion, a different combination other than the well known phosphine oxides and tertiary amines for extraction of uranium

  14. Ion-solvent interactions and the complex behaviour of U(IV) and U(VI) with chloro-ligands in ethanol-water mixtures

    International Nuclear Information System (INIS)

    Kim, J.I.; Duschner, H.; Hashimoto, T.; Born, H.J.

    1975-01-01

    The complex chemical behaviour of U(IV) and U(VI) in amphiprotic solutions, especially in mixtures of solvents, was investigated using ion exchange and solvent extraction methods. The experimental data was used, on the one hand, in order to obtain complexing constants in dependence of ligands and their concentration as well as of the agent and to classify these in a universal scale of ion activities with water as reference point, and on the other hand, to explain the interactions between central atom, ligand and solvating molecule. One aim of these investigations is to understand the basic mechanisms in adjusting the equilibrium between two different phases in the separation chemistry of these elements. (orig./LH) [de

  15. Study of solvent effects on the stability constant and ionic mobility of the dibenzo-18-crown-6 complex with potassium ion by affinity capillary electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Konášová, Renáta; Jaklová Dytrtová, Jana; Kašička, Václav

    2016-01-01

    Roč. 39, č. 22 (2016), s. 4429-4438 ISSN 1615-9306 R&D Projects: GA ČR(CZ) GA15-01948S; GA ČR GP13-21409P Institutional support: RVO:61388963 Keywords : affinity capillary electrophoresis * crown ethers * hydro-organic solvents * ionic mobility * potassium complexes Subject RIV: CB - Analytical Chemistry , Separation Impact factor: 2.557, year: 2016

  16. NMR and Solvent Effect Study on the Thymine-Adenine-Thymine ...

    African Journals Online (AJOL)

    ... discussed about the plotted graphs of relative energies versus dielectric constants of our considered solvents. Thus, we can drastically conclude that the dielectric permittivity of the solvent is a key factor that determines the chemical behavior of DNA in solution. Keywords: TAT sequence; solvent effect; NMR parameters; ...

  17. Dielectric Response at THz Frequencies of Fe Water Complexes and Their Interaction with O3 Calculated by Density Functional Theory

    Science.gov (United States)

    2012-10-24

    geometric arrangement of the atoms in a chemical system , at the maximal peak of the energy surface separating reactants from products . In the...Sonnenberg, M. Hada, M. Ehara, K. Toyota , R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda , O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery... using DFT. The calculation of ground state resonance structure is for the construction of parameterized dielectric response functions for excitation

  18. Ab Initio Calculations of the Electronic Properties of Polypyridine Transition Metal Complexes and Their Adsorption on Metal Surfaces in the Presence of Solvent and Counterions

    DEFF Research Database (Denmark)

    Jónsson, E. Ö.; Thygesen, Kristian Sommer; Ulstrup, Jens

    2011-01-01

    Os(II)/(III) and Co(II)/(III) polypyridine complexes in aqueous solution are robust molecular entities both in freely solute state and adsorbed on Au(111)- and Pt(111)-electrode surfaces. This class of robust coordination chemical compounds have recently been characterized by electrochemical...... of the complexes in the presence of the solvent, are conserved upon adsorption, whereas the structural features of the different oxidation states are completely lost upon adsorption under vacuum conditions. Detailed microscopic insight such as offered by the present study will be important in molecular...

  19. Complex permittivity and conductivity of poly (p-phenylenediazo ...

    Indian Academy of Sciences (India)

    Conducting polymer composites were prepared by in situ polymerization of glyoxal and -phenylenediamine in different solvents containing different amounts of PVC, and silica. The microwave conductivity and complex permittivity of each sample was measured. The effect of dopants like HClO4 and HCl on these dielectric ...

  20. Model studies for evaluating the acute neurobehavioral effects of complex hydrocarbon solvents. I. Validation of methods with ethanol

    NARCIS (Netherlands)

    McKee, R.H.; Lammers, J.H.C.M.; Hoogendijk, E.M.G.; Emmen, H.H.; Muijser, H.; Barsotti, D.A.; Owen, D.E.; Kulig, B.M.

    2006-01-01

    As a preliminary step to evaluating the acute neurobehavioral effects of hydrocarbon solvents and to establish a working model for extrapolating animal test data to humans, joint neurobehavioral/toxicokinetic studies were conducted which involved administering ethanol to rats and volunteers. The

  1. The high water solubility of inclusion complex of taxifolin-γ-CD prepared and characterized by the emulsion solvent evaporation and the freeze drying combination method.

    Science.gov (United States)

    Zu, Yuangang; Wu, Weiwei; Zhao, Xiuhua; Li, Yong; Zhong, Chen; Zhang, Yin

    2014-12-30

    This study selected γ-cyclodextrin (γ-CD) as the inclusion material and prepared inclusion complex of taxifolin-γ-CD by the emulsion solvent evaporation and the freeze drying combination method to achieve the improvement of the solubility and oral bioavailability of taxifolin. We selected ethyl acetate as the oil phase, deionized water as the water phase. The taxifolin emulsion was prepared using adjustable speed homogenate machine in the process of this experiment, whose particle size was related to the concentration of taxifolin solution, the volume ratio of water phase to oil phase, the speed and time of homogenate. We knew through the single-factor test that, the optimum conditions were: the concentration of taxifolin solution was 40 mg/ml, the volume ratio of water phase to oil phase was 1.5, the speed of homogenate was 5,000 rpm, the homogenate time was 11 min. Taxifolin emulsion with a MPS of 142.5 nm was obtained under the optimum conditions, then the high-concentration taxifolin solution (3mg/ml) was obtained by the rotary evaporation process. Finally, the inclusion complex of taxifolin-γ-CD was prepared by vacuum freeze-dry. The characteristics of the inclusion complex of taxifolin-γ-CD were analyzed using SEM, FTIR, XRD, DSC, and TG. The FTIR results analyzed the interaction of taxifolin and γ-CD and determined the molecular structure of the inclusion complex of taxifolin-γ-CD. The analysis results of XRD, DSC and TG indicated that the inclusion complex of taxifolin-γ-CD was obtained and showed significantly different characteristics with taxifolin. In addition, dissolving capability test, antioxidant capacity test, solvent residue test were also carried out. The experimental datas showed that the solubility of inclusion complex of taxifolin-γ-CD at 25°C and 37°C were about 18.5 times and 19.8 times of raw taxifolin, the dissolution rate of inclusion complex of taxifolin-γ-CD were about 2.84 times of raw taxifolin, the bioavailability of

  2. Solvent phase characterisation of lanthanide(3) and americium(3) complexes with malonamide (tema) and ter-pyridine ligands by EXAFS: comparison with single crystals

    International Nuclear Information System (INIS)

    Den Auwer, C.; Presson, M.T.; Grigoriev, M.; Madic, C.; Nierlich, M.; Thuery, P.; David, F.; Hubert, S.; Drew, M.G.B.; Hudson, M.J.; Iveson, P.B.; Russell, M.L.

    2002-01-01

    In order to develop molecules that will be good candidates for the extractive separation of the various elements contained within nuclear fuels, 4f and 5f molecular chemistry has been the subject of numerous studies. Thus, to better understand the ligand to cation interaction and to fine tune the theoretical models, precise knowledge about the cation co-ordination sphere must be obtained. More precisely, both structural and electronic data must be acquired in order to define the role of the cation frontier orbitals within the complex. To do so, various structural probes must be used, from vibrational and nuclear techniques to X-ray spectroscopies. In the field of actinide solvent extraction, the species of interest are in the solvent phase and both solid state diffraction methods and solvent phase X-ray absorption spectroscopy have become of primary importance lately. A number of Ln(III) and Am(III) complexes of the type M(NO 3 ) 3 L 1,2 (where M is either Ln 3+ or Am 3+ and L is either the 2,2',6',2 - ter-pyridine (Tpy) or the N,N,N',N' tetraethyl-malonamide (TEMA) ligand) have been crystallographically characterised in the solid state. In order to obtain structural information in the solvent phase, EXAFS L III edge measurements have been performed on the cation (DCI ring at the LURE facility). The overall contraction (-0.05 Angstrom) of the cation co-ordination sphere from Nd 3+ to Lu 3+ reflects the decrease in the lanthanide ionic radii. With the TEMA ligand, this steric constraint generates the elongation of one nitrate bond, leading to one formally monodendate nitrate for the late Ln ions. Comparison is made with the Tpy ligand. In the case of Am 3+ cation, comparison with isostructural Nd 3+ shows that similar co-ordination spheres are obtained, either with the TEMA or the Tpy ligands. (authors)

  3. Solvent extraction

    Energy Technology Data Exchange (ETDEWEB)

    Coombs, D.M.; Latimer, E.G.

    1988-01-05

    It is an object of this invention to provide for the demetallization and general upgrading of heavy oil via a solvent extracton process, and to improve the efficiency of solvent extraction operations. The yield and demetallization of product oil form heavy high-metal content oil is maximized by solvent extractions which employ either or all of the following techniques: premixing of a minor amount of the solvent with feed and using countercurrent flow for the remaining solvent; use of certain solvent/free ratios; use of segmental baffle tray extraction column internals and the proper extraction column residence time. The solvent premix/countercurrent flow feature of the invention substantially improves extractions where temperatures and pressures above the critical point of the solvent are used. By using this technique, a greater yield of extract oil can be obtained at the same metals content or a lower metals-containing extract oil product can be obtained at the same yield. Furthermore, the premixing of part of the solvent with the feed before countercurrent extraction gives high extract oil yields and high quality demetallization. The solvent/feed ratio features of the invention substanially lower the captial and operating costs for such processes while not suffering a loss in selectivity for metals rejection. The column internals and rsidence time features of the invention further improve the extractor metals rejection at a constant yield or allow for an increase in extract oil yield at a constant extract oil metals content. 13 figs., 3 tabs.

  4. Dielectric Behaviour of Binary Mixture of 2-Chloroaniline with 2-Methoxyethanol and 2-Ethoxyethanol

    Directory of Open Access Journals (Sweden)

    Bhupesh G. Nemmaniwar

    2013-05-01

    Full Text Available Densities, viscosities, refractive indices, dielectric constant (ε' and dielectric loss (ε'' of 2-chloroaniline (2CA + 2-methoxyethanol (2ME and 2-chloroaniline (2CA + 2-ethoxyethanol (2EE for different mole fractions of 2-chloroaniline in binary mixture have been measured at single microwave frequency 10.985 GHz at 300C by Surber method using microwave X-band. The values of dielectric parameters (ε' and ε''   have been used to evaluate the molar polarization (P12 loss tangent (tanδ, viscosity (η, activation energy (Ea, excess permittivity (Δε', excess dielectric loss (Δε'', excess viscosities (Δη, excess polarization (ΔP12 and excess activation energy (ΔEa  have also been estimated. These parameters have been used to explain the formation of complexes in the system. It is found that dielectric constant (ε', dielectric loss (ε'', loss tangent (tanδ, molar polarization (P12 varies non-linearly but activation energy (Ea , viscosity (η ,density (ρ, and refractive index (n varies linearly with increasing mole fraction in binary mixture of 2-chloroaniline (2-CA + 2-methoxyethanol (2-ME and 2-chloroaniline (2-CA + 2-ethoxyethanol (2-EE. Hence, solute-solvent molecular associations have been reported. 

  5. Preparation of detergent-lipase complexes utilizing water-soluble amphiphiles in single aqueous phase and catalysis of transesterifications in homogeneous organic solvents.

    Science.gov (United States)

    Mine, Y; Fukunaga, K; Maruoka, N; Nakao, K; Sugimura, Y

    2000-01-01

    A novel method of preparing detergent-enzyme complexes that can be employed in organic media was developed utilizing newly synthesized water-soluble nonionic gemini-type detergents, N,N-bis(3-D-gluconamidopropyl)-3-(dialkyl-L-glutamatecarbonyl)propanamides (BIG2CnCA: n = 10,12,14,16,18) and N,N-bis(3-D-lactonamidopropyl)-3-(dialkyl-L-glutamatecarbonyl)propanamides (BIL2CnCA: n = 16,18), and nonionic twin-headed detergents, N,N-bis(3-D-gluconamidopropyl)alkanamides (BIG1Cn: n = 12,14,16,18,delta9). This method simply entails mixing a selected enzyme with an appropriate detergent in an aqueous solution followed by lyophilization, and it offers the advantages of enhanced enzymatic activity in organic solvents and eliminates both enzyme loss and the necessity for an organic solvent in the preparation stage. Using various modified lipases originating from Aspergillus niger (Lipase A), Candida rugosa (Lipase C), Pseudomonas cepacia (Lipase P), and porcine pancreas (PPL), prepared using the novel method and detergents, including conventional synthesized nonionic detergents such as dialkyl N-D-glucona-L-glutamates (2CnGE: n = 12,18delta9) and octanoyl-N-methylglucamide (MEGA-8), enantioselective transesterifications of 6-methyl-5-hepten-2-ol (sulcatol) and 2,2-dimethyl-1,3-dioxolane-4-methanol (solketal) with a vinyl or isopropenyl carboxylate were carried out in an organic solvent. The modified lipase activity was influenced by both the lipases and the structure of the detergents. The value for the hydrophile-lipophile balance (HLB) of the detergent provided a means of correlating the structure and the obtained modified lipase activity. For detergents of the same class with a HLB value of approximately 9 and 12, the highest activity was obtained for Lipase A and Lipase P, and Lipase C and PPL, respectively. Among detergents of the same HLB value tested, the gemini-type detergents possessing the most bulky head and tail were most effective as a modifier for lipases of all

  6. Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

    International Nuclear Information System (INIS)

    Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon

    2014-01-01

    The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents for a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible

  7. Dielectric properties of polyethylene

    International Nuclear Information System (INIS)

    Darwish, S.; Riad, A.S.; El-Shabasy, M.

    2005-01-01

    The temperature dependence of dielectric properties in polyethylene was measured in the frequency range from 10 to 105 Hz. The frequency dependence of the complex impedance in the complex plane could be fitted by semicircles. The system could be represented by an equivalent circuit of a bulk resistance in series with parallel surface resistance-capacitance combination. The relaxation time, has been evaluated from experimental results. Results reveal that the temperature dependence, is a thermally activated process

  8. Kinetics of hydrogen peroxide decomposition by catalase: hydroxylic solvent effects.

    Science.gov (United States)

    Raducan, Adina; Cantemir, Anca Ruxandra; Puiu, Mihaela; Oancea, Dumitru

    2012-11-01

    The effect of water-alcohol (methanol, ethanol, propan-1-ol, propan-2-ol, ethane-1,2-diol and propane-1,2,3-triol) binary mixtures on the kinetics of hydrogen peroxide decomposition in the presence of bovine liver catalase is investigated. In all solvents, the activity of catalase is smaller than in water. The results are discussed on the basis of a simple kinetic model. The kinetic constants for product formation through enzyme-substrate complex decomposition and for inactivation of catalase are estimated. The organic solvents are characterized by several physical properties: dielectric constant (D), hydrophobicity (log P), concentration of hydroxyl groups ([OH]), polarizability (α), Kamlet-Taft parameter (β) and Kosower parameter (Z). The relationships between the initial rate, kinetic constants and medium properties are analyzed by linear and multiple linear regression.

  9. Deasphalting solvents

    International Nuclear Information System (INIS)

    Carrillo, J. A; Caceres, J; Vela, G; Bueno, H

    1996-01-01

    This paper describes how the deasphalted oil (DMO) or demetalized oil (DMO) quality (CCR, Ni, V end asphaltenes contents) changes with: DAO or DMO yield, solvent/feed ratio, type of vacuum reside (from paraffinic to blends with vis breaking bottoms), extraction temperature and extraction solvent (propane, propylene, n-butane and I butane)

  10. Solvent substitution

    International Nuclear Information System (INIS)

    1990-01-01

    The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general ''Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated

  11. Solvent substitution

    Energy Technology Data Exchange (ETDEWEB)

    1990-01-01

    The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated.

  12. Dielectric Response at THz Frequencies of Mg Water Complexes Interacting with O3 Calculated by Density Functional Theory

    Science.gov (United States)

    2012-10-24

    of the atoms in a chemical system , at the maximal peak of the energy surface separating reactants from products . In the transition state every normal...Hada, M. Ehara, K. Toyota , R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda , O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E...calculations of ground state resonance structure associated with water complexes of Mg and the interaction of these complexes with Ozone using DFT. The

  13. Microwave dielectric characterization of binary mixture of formamide ...

    Indian Academy of Sciences (India)

    are fitted to the three different relaxation models [24–27] by the non-linear least squares fit method. It is observed that the Davidson–Cole model is adequate to describe major dispersion of the various solute and solvent mixtures over this fre- quency range. Static dielectric constant and dielectric relaxation time could be.

  14. Improved Efficacy of Synthesizing *MIII-Labeled DOTA Complexes in Binary Mixtures of Water and Organic Solvents. A Combined Radio- and Physicochemical Study.

    Science.gov (United States)

    Pérez-Malo, Marylaine; Szabó, Gergely; Eppard, Elisabeth; Vagner, Adrienn; Brücher, Ernő; Tóth, Imre; Maiocchi, Alessandro; Suh, Eul Hyun; Kovács, Zoltán; Baranyai, Zsolt; Rösch, Frank

    2018-05-21

    Typically, the synthesis of radiometal-based radiopharmaceuticals is performed in buffered aqueous solutions. We found that the presence of organic solvents like ethanol increased the radiolabeling yields of [ 68 Ga]Ga-DOTA (DOTA = 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacatic acid). In the present study, the effect of organic cosolvents [ethanol (EtOH), isopropyl alcohol, and acetonitrile] on the radiolabeling yields of the macrocyclic chelator DOTA with several trivalent radiometals (gallium-68, scandium-44, and lutetium-177) was systematically investigated. Various binary water (H 2 O)/organic solvent mixtures allowed the radiolabeling of DOTA at a significantly lower temperature than 95 °C, which is relevant for the labeling of sensitive biological molecules. Simultaneously, much lower amounts of the chelators were required. This strategy may have a fundamental impact on the formulation of trivalent radiometal-based radiopharmaceuticals. The equilibrium properties and formation kinetics of [M(DOTA)] - (M III = Ga III , Ce III , Eu III , Y III , and Lu III ) complexes were investigated in H 2 O/EtOH mixtures (up to 70 vol % EtOH). The protonation constants of DOTA were determined by pH potentiometry in H 2 O/EtOH mixtures (0-70 vol % EtOH, 0.15 M NaCl, 25 °C). The log K 1 H and log K 2 H values associated with protonation of the ring N atoms decreased with an increase of the EtOH content. The formation rates of [M(DOTA)] - complexes increase with an increase of the pH and [EtOH]. Complexation occurs through rapid formation of the diprotonated [M(H 2 DOTA)] + intermediates, which are in equilibrium with the kinetically active monoprotonated [M(HDOTA)] intermediates. The rate-controlling step is deprotonation (and rearrangement) of the monoprotonated intermediate, which occurs through H 2 O ( *M(HL) k H 2 O ) and OH - ( *M(HL) k OH ) assisted reaction pathways. The rate constants are essentially independent of the EtOH concentration, but the M(HL) k H2O

  15. Kinetics and mechanism of aquation and formation reactions of carbonato complexes. XII. Deuterium solvent isotope effect on the rate of acid-catalyzed decarboxylation of the carbonatobis (ethylenediamine) cobalt(III) complex ion. A mechanistic reappraisal

    International Nuclear Information System (INIS)

    Harris, G.M.; Hyde, K.E.

    1978-01-01

    A recent study of the acid-catalyzed decarboxylation of the carbonatotetrakis(pyridine)cobalt(III) complex ion showed there to be rate acceleration in D 2 O solvent, consistent with a proton-preequilibration mechanism. This observation directly contradicts the results of a similar study made some years ago of the analogous ion, carbonatobis(ethylenediamine)cobalt(III), for which there appeared to be deceleration in D 2 O solvent. A reinvestigation of the latter reaction over a much wider acidity range has now shown the earlier work to be in error. The previously proposed generalized mechanism for aquation of chelated carbonato complex ions of the form CoN 4 CO 3 + (N 4 identical with various tetramine ligand groupings of uni-, bi-, or quadridentate type) has thus been revised to include a proton equilibration step. An unexpected complication arises in the interpretation of the data for the bis(ethylenediamine) complex ion in the acidity range 0.1 + ] + ] term, overtakes and exceeds the true first-order rate constant for CO 2 release. The interesting implications of this unusual first-order successive reaction system are fully explored in the context of the present study

  16. Solvent extraction of some fission products using tetracycline as a complexing agent : dependence on the ph of the aqueous phase and on the nature of some inorganic anions

    International Nuclear Information System (INIS)

    Cunha, I.I.L.; Nastasi, M.J.C.

    1982-10-01

    The behavior of tetracycline as a complexing agent in solvent extraction studies is presented. The extraction curves for the fission products 90 Sr, 140 Ba, 99 Mo, sup(99m)Tc, 95 Zr, 95 Nb, 103 Ru and also for U have been determined for the extraction system tetracycline-benzyl alcohol. The extraction dependence on the pH of the aqueous phase as well as on the kind of electrolyte present was examined. As a practical application, the possiblity of using the tetracycline-benzyl alcohol system for separation of the fission products present in a mixture of them, as well as for the separation of uranium from those elements, was tested. (Author) [pt

  17. Determination of uranium and thorium in complex matrices by two solvent extraction separation techniques and photon electron rejecting alpha liquid spectrometry

    International Nuclear Information System (INIS)

    Ayranov, M.; Wacker, L.; Kraehenbuehl, U.

    2001-01-01

    The separation of uranium and thorium from complex matrixes such as marine sediments using solvent extraction and determination by means of photon-electron rejecting liquid alpha spectrometry (PERALS trademark) has successfully been performed. Two extraction schemes, using TOPO and HDEHP, respectively, were compared for the separation of uranium and thorium from the matrix components. The results show recoveries between 73 and 92% for 234 U, 238 U, 232 Th, 230 Th and 238 Th with an accuracy of the methods ±12%. Minimum detectable activities for counting time up to 500 000 seconds for 0.5 g sample material were between 0.34-1.15 Bq/kg for uranium and 0.31-1.66 Bq/kg for thorium. (orig.)

  18. Critical solvent thermodynamic effect on molecular recognition: The case of the complex formation of carboxylates and ammonium-squaramido based receptors

    Energy Technology Data Exchange (ETDEWEB)

    Piña, M. Nieves, E-mail: neus.pinya@uib.es; López, Kenia A.; Costa, Antoni; Morey, Jeroni, E-mail: jeroni.morey@uib.es

    2013-10-10

    Graphical abstract: - Highlights: • The enthalpy–entropy compensation in the complex is independent of the spacer used. • The enthalpy–entropy compensation is dependent on the microscopic nature of the binary mixture. • The enthalpy–entropy compensation is dependent on the proportion of the components of the binary mixture. - Abstract: An isothermal titration microcalorimetry (ITC) study on the supramolecular complex formation between carboxylates and ammonium-squaramido based receptors at different ethanol:water proportions is reported. The results obtained show that the formation enthalpy sign of a supramolecular complex in a water–ethanol binary mixture can be influenced by the proportion of the cosolvent. Moreover there is an enthalpy–entropy compensation process in the supramolecular complex formation; in poor water mixtures the process is endothermic, whilst in reach water mixtures the process is exothermic. This behavior is mostly due to the intrinsic nature of the mixture between water and ethanol, and particularly the process of solvation and desolvation of receptor, substrate and complex. When this study is repeated with binary mixtures of water–methanol and water–DMSO it is observed that the nature of the organic solvent affects the results. While the mixture water–methanol has a behavior similar to water–ethanol mixture, the water–DMSO mixture shows clear differences. In order to check this compensation process, △Cp values are calculated at two different proportions water–ethanol, and they are consistent with an enthalpy–entropy compensation process similar to that described by the inclusion process for certain hydrophilic cyclodextrines. The results obtained show that the enthalpy–entropy compensation detected in the supramolecular complex formation between carboxylates and ammonium-squaramido receptors is independent of the spacer used, and more dependent on the microscopic nature and proportion of the binary mixture.

  19. Critical solvent thermodynamic effect on molecular recognition: The case of the complex formation of carboxylates and ammonium-squaramido based receptors

    International Nuclear Information System (INIS)

    Piña, M. Nieves; López, Kenia A.; Costa, Antoni; Morey, Jeroni

    2013-01-01

    Graphical abstract: - Highlights: • The enthalpy–entropy compensation in the complex is independent of the spacer used. • The enthalpy–entropy compensation is dependent on the microscopic nature of the binary mixture. • The enthalpy–entropy compensation is dependent on the proportion of the components of the binary mixture. - Abstract: An isothermal titration microcalorimetry (ITC) study on the supramolecular complex formation between carboxylates and ammonium-squaramido based receptors at different ethanol:water proportions is reported. The results obtained show that the formation enthalpy sign of a supramolecular complex in a water–ethanol binary mixture can be influenced by the proportion of the cosolvent. Moreover there is an enthalpy–entropy compensation process in the supramolecular complex formation; in poor water mixtures the process is endothermic, whilst in reach water mixtures the process is exothermic. This behavior is mostly due to the intrinsic nature of the mixture between water and ethanol, and particularly the process of solvation and desolvation of receptor, substrate and complex. When this study is repeated with binary mixtures of water–methanol and water–DMSO it is observed that the nature of the organic solvent affects the results. While the mixture water–methanol has a behavior similar to water–ethanol mixture, the water–DMSO mixture shows clear differences. In order to check this compensation process, △Cp values are calculated at two different proportions water–ethanol, and they are consistent with an enthalpy–entropy compensation process similar to that described by the inclusion process for certain hydrophilic cyclodextrines. The results obtained show that the enthalpy–entropy compensation detected in the supramolecular complex formation between carboxylates and ammonium-squaramido receptors is independent of the spacer used, and more dependent on the microscopic nature and proportion of the binary mixture

  20. Solid-state flurbiprofen and methyl-β-cyclodextrin inclusion complexes prepared using a single-step, organic solvent-free supercritical fluid process.

    Science.gov (United States)

    Rudrangi, Shashi Ravi Suman; Kaialy, Waseem; Ghori, Muhammad U; Trivedi, Vivek; Snowden, Martin J; Alexander, Bruce David

    2016-07-01

    The aim of this study was to enhance the apparent solubility and dissolution properties of flurbiprofen through inclusion complexation with cyclodextrins. Especially, the efficacy of supercritical fluid technology as a preparative technique for the preparation of flurbiprofen-methyl-β-cyclodextrin inclusion complexes was evaluated. The complexes were prepared by supercritical carbon dioxide processing and were evaluated by solubility, differential scanning calorimetry, X-ray powder diffraction, scanning electron microscopy, practical yield, drug content estimation and in vitro dissolution studies. Computational molecular docking studies were conducted to study the possibility of molecular arrangement of inclusion complexes between flurbiprofen and methyl-β-cyclodextrin. The studies support the formation of stable molecular inclusion complexes between the drug and cyclodextrin in a 1:1 stoichiometry. In vitro dissolution studies showed that the dissolution properties of flurbiprofen were significantly enhanced by the binary mixtures prepared by supercritical carbon dioxide processing. The amount of flurbiprofen dissolved into solution alone was very low with 1.11±0.09% dissolving at the end of 60min, while the binary mixtures processed by supercritical carbon dioxide at 45°C and 200bar released 99.39±2.34% of the drug at the end of 30min. All the binary mixtures processed by supercritical carbon dioxide at 45°C exhibited a drug release of more than 80% within the first 10min irrespective of the pressure employed. The study demonstrated the single step, organic solvent-free supercritical carbon dioxide process as a promising approach for the preparation of inclusion complexes between flurbiprofen and methyl-β-cyclodextrin in solid-state. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Study of complex formation process between 4′-nitrobenzo-18-crown-6 and yttrium(III cation in some binary mixed non-aqueous solvents using the conductometry method

    Directory of Open Access Journals (Sweden)

    Mahboobeh Vafi

    2017-07-01

    Full Text Available The complexation reaction between Y3+ cation and macrocyclic ligand, 4′-nitrobenzo-18-crown-6 (4′NB18C6, was studied in acetonitrile–methanol (AN–MeOH, acetonitrile–1,2-dichloroethane (AN–DCE, acetonitrile–dimethylformamide (AN–DMF and acetonitrile–ethylacetate (AN–EtOAc binary mixed solvent solutions at different temperatures using the conductometric method. The conductance data show that in most cases, the stoichiometry of the complex formed between 4′NB18C6 and Y3+ cation is 1:1 [M:L], but in the case of AN-DCE binary solution (mol% DCE = 50 at 15, 25 and 35 °C, a 2:1 [M2:L] and also a 2:2 [M2:L2] complexes are formed in solution. The results show that the stoichiometry of the complex formed between 4′NB18C6 and Y3+ cation changes with the composition of the mixed solvents and even with temperature. The stability constant of the 1:1 complex was determined using a computer program, GENPLOT. The stability order of (4′NB18C6.Y3+ complex in pure studied solvents at 25 °C was found to be: EtOAc > AN > MeOH > DMF and in the case of the mixed solvent solutions with 25 mol percent of AN at 25 °C was: AN-DCE > AN-EtOAc > AN-MeOH ∼ AN-DMF. The values of stability constant (logKf of (4′NB18C6.Y3+ complex which were obtained from conductometric data, show that the stability of the complex is not only affected by the nature and composition of the solvent system, but it is also influenced by the temperature. In all cases, a non-linear behavior is observed for changes of logKf of the (4′NB18C6.Y3+ complex versus the composition of the binary mixed solvents. The values of standard thermodynamic quantities (ΔH°c and ΔS°c for the complexation process which were obtained from temperature dependence of the stability constant of (4′NB18C6.Y3+ complex, show that depending on the solvent system, in most cases, the complex is enthalpy and also entropy stabilized, but in some cases, it is stabilized or

  2. Dielectric properties of composite based on ferroelectric copolymer of poly(vinylidene fluoride-trifluoroethylene and ferroelectric ceramics of barium lead zirconate titanate

    Directory of Open Access Journals (Sweden)

    A. V. Solnyshkin

    2017-10-01

    Full Text Available A study of dielectric properties of composite films on the base of poly(vinylidene fluoride-trifluoroethylene copolymer P(VDF-TrFE and ferroelectric ceramics of barium lead zirconate titanate (BPZT solid solution is presented in this work. The composite films containing up to 50 vol.% of BPZT grains with size ∼1μm were prepared by the solvent cast method. Frequency dependences of real and imaginary components of the complex permittivity were determined. The concentration dependence of the dielectric constant was discussed.

  3. Direct Probing of Solvent Accessibility and Mobility at the Binding Interface of Polymerase (Dpo4)-DNA Complex

    OpenAIRE

    Qin, Yangzhong; Yang, Yi; Zhang, Luyuan; Fowler, Jason D.; Qiu, Weihong; Wang, Lijuan; Suo, Zucai; Zhong, Dongping

    2013-01-01

    Water plays essential structural and dynamical roles in protein-DNA recognition through contributing to enthalpic or entropic stabilization of binding complex and by mediating intermolecular interactions and fluctuations for biological function. These interfacial water molecules are confined by the binding partners in nanospace but in many cases they are highly mobile and exchange with outside bulk solution. Here, we report our studies of the interfacial water dynamics in the binary and terna...

  4. Solvent substitutes

    International Nuclear Information System (INIS)

    Evanoff, S.P.

    1995-01-01

    The environmental and industrial hygiene regulations promulgated since 1980, most notably the Superfund Amendments and Reauthorization Act (SARA), the Hazardous and Solid Waste Amendments to the Resources Conservation and Recovery Act (RCRA), and the Clean Air Act Amendments of 1990, have brought about an increased emphasis on user exposure, hazardous waste generation, and air emissions. As a result, industry is performing a fundamental reassessment of cleaning solvents, processes, and procedures. The more progressive organizations have made their goal the elimination of solvents that may pose significant potential human health and environmental hazards. This chapter discusses solvent cleaning in metal-finishing, metal-manufacturing, and industrial maintenance applications; precision cleaning; and electronics manufacturing. Nonmetallic cleaning, adhesives, coatings, inks, and aerosols also will be addressed, but in a more cursory manner

  5. Dispersion of complex dielectric constant and electronic characteristics of the compounds Nb-Al and Nb-Ge with A15 structure

    International Nuclear Information System (INIS)

    Kuzmichev, N.D.; Levchenko, I.S.; Motulevich, G.P.

    1989-01-01

    This paper reports that the dispersions of complex dielectric constant of the compounds Nb-Al and Nb-Ge with A15 structure, used for determination of electronic characteristics and their variations with temperature, are measured in the 0.177-3.1 eV spectral interval at 295 and 670 K. The squares of the plasma frequencies ω 2 p of conduction electrons are obtained. In both compounds ω 2 p ∼ 19 eV 2 , which is 3.2 times less than for niobium. In this spectral interval, Nb-Al has four interband transition zones at 0.2, 0.35, 1.45, and 3.1 eV, while Nb-Ge has five such bands: 0.21, 0.32, 0.48, 0.95 and 2.0 eV. As the temperature increases ω 2 p of conduction electrons increases somewhat more than for usual metals (in both compounds), and the decrease in the analogous characteristic in the long-wave band for Nb-Ge is unusually great, preserving the sum of the changes, and there is also a significant decrease in the width of the long-wave band. These anomalies can be explained by thermal transfer of electrons from the base state of the long-wave band to the conduction band

  6. Modeling the PbS quantum dots complex dielectric function by adjusting the E-k diagram critical points of bulk PbS

    Science.gov (United States)

    Hechster, Elad; Sarusi, Gabby

    2017-07-01

    The complex dielectric function ɛ(E )=ɛR(E )+i ɛI(E ) of a semiconductor is a key parameter that dictates the material's optical and electrical properties. Surprisingly, the ɛ(E ) of Lead Sulfide (PbS) quantum dots (QDs) has not been widely studied. In the present work, we develop a new model that aims to simulate the ɛ(E ) of QDs. Our model is based on the fact that the quantum confinement in the nano regime affects all the electronic transitions throughout the entire Brillouin zone. Hence, as a first approximation, we attribute an equal contribution of energy, equivalent to the bandgap broadening, to each critical point (CP) in the E-k diagram. This is mathematically realized by adding these energy contributions to the central energy parameters of the Lorentz oscillator model. In order to validate our model, we used the CP parameters of bulk PbS to simulate the ɛ(E ) of PbS QDs. Next, we use Maxwell Relations to calculate the refractive index and the extinction coefficient of PbS QDs from ɛ(" separators="|E ). Our results were compared with those published in the previous literature and showed good agreement. Our findings open a new avenue that may enable the calculation of the ɛ(" separators="|E ) for nanoparticle systems.

  7. Dielectric inspection of erythrocyte morphology

    International Nuclear Information System (INIS)

    Hayashi, Yoshihito; Oshige, Ikuya; Katsumoto, Yoichi; Omori, Shinji; Yasuda, Akio; Asami, Koji

    2008-01-01

    We performed a systematic study of the sensitivity of dielectric spectroscopy to erythrocyte morphology. Namely, rabbit erythrocytes of four different shapes were prepared by precisely controlling the pH of the suspending medium, and their complex permittivities over the frequency range from 0.1 to 110 MHz were measured and analyzed. Their quantitative analysis shows that the characteristic frequency and the broadening parameter of the dielectric relaxation of interfacial polarization are highly specific to the erythrocyte shape, while they are insensitive to the cell volume fraction. Therefore, these two dielectric parameters can be used to differentiate erythrocytes of different shapes, if dielectric spectroscopy is applied to flow-cytometric inspection of single blood cells. In addition, we revealed the applicability and limitations of the analytical theory of interfacial polarization to explain the experimental permittivities of non-spherical erythrocytes

  8. Dielectric inspection of erythrocyte morphology

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Yoshihito; Oshige, Ikuya; Katsumoto, Yoichi; Omori, Shinji; Yasuda, Akio [Life Science Laboratory, Materials Laboratories, Sony Corporation, Sony Bioinformatics Center, Tokyo Medical and Dental University, Bunkyo-ku, Tokyo 113-8510 (Japan); Asami, Koji [Laboratory of Molecular Aggregation Analysis, Division of Multidisciplinary Chemistry, Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan)], E-mail: Yoshihito.Hayashi@jp.sony.com

    2008-05-21

    We performed a systematic study of the sensitivity of dielectric spectroscopy to erythrocyte morphology. Namely, rabbit erythrocytes of four different shapes were prepared by precisely controlling the pH of the suspending medium, and their complex permittivities over the frequency range from 0.1 to 110 MHz were measured and analyzed. Their quantitative analysis shows that the characteristic frequency and the broadening parameter of the dielectric relaxation of interfacial polarization are highly specific to the erythrocyte shape, while they are insensitive to the cell volume fraction. Therefore, these two dielectric parameters can be used to differentiate erythrocytes of different shapes, if dielectric spectroscopy is applied to flow-cytometric inspection of single blood cells. In addition, we revealed the applicability and limitations of the analytical theory of interfacial polarization to explain the experimental permittivities of non-spherical erythrocytes.

  9. Modeling of Salt Solubilities in Mixed Solvents

    DEFF Research Database (Denmark)

    Chiavone-Filho, O.; Rasmussen, Peter

    2000-01-01

    A method to correlate and predict salt solubilities in mixed solvents using a UNIQUAC+Debye-Huckel model is developed. The UNIQUAC equation is applied in a form with temperature-dependent parameters. The Debye-Huckel model is extended to mixed solvents by properly evaluating the dielectric...... constants and the liquid densities of the solvent media. To normalize the activity coefficients, the symmetric convention is adopted. Thermochemical properties of the salt are used to estimate the solubility product. It is shown that the proposed procedure can describe with good accuracy a series of salt...

  10. Novel synergism by complex ligands in solvent extraction of rare earth metals(III) with β-diketones

    International Nuclear Information System (INIS)

    Imura, H.; Ebisawa, M.; Kato, M.; Ohashi, K.

    2006-01-01

    The extraction of rare earth metals(III) (RE) with hexafluoroacetylacetone (Hhfa) and 2-thenoyltrifluoroacetone (Htta) was studied in the presence of some cobalt(III) chelates such as tris(acetylacetonato)cobalt(III), tris(4-isopropyltropolonato)cobalt(III), tris(8-quinolinolato)cobalt(III), tris(8-quinolinethiolato)cobalt(III), and tris(diethyldithiocarbamato)cobalt(III) in benzene or toluene. The synergistic enhancement of the extraction of RE, especially of lanthanum(III) was found in all the systems. Therefore, those cobalt(III) chelates act as synergists or complex ligands. The equilibrium analysis and IR spectroscopic study were performed to evaluate the present synergistic mechanism. It was found that the RE-β-diketone chelates form 1:1 adducts, i.e., binuclear complexes, with the cobalt(III) chelates in the organic phase. The formation constants (β s,1 ) were determined and compared with those reported previously. The spectroscopic studies demonstrated that adducts have two different structures with inner- and outer-sphere coordination. In the former the cobalt(III) chelate directly coordinated to the RE ion and displaced the coordinated water molecules. In the latter the hydrogen-bonding was formed between the coordinating oxygen or sulfur atoms of cobalt(III) chelate and hydrogen atoms of the coordinated water molecules in the RE-β-diketone chelate. The types of the adducts are mainly due to the steric factors of the RE-β-diketone chelates and the cobalt(III) chelates

  11. Lewis basicity of relevant monoanions in a non-protogenic organic solvent using a zinc(ii) Schiff-base complex as a reference Lewis acid.

    Science.gov (United States)

    Oliveri, Ivan Pietro; Di Bella, Santo

    2017-09-12

    Anions are ubiquitous species playing a primary role in chemistry, whose reactivity is essentially dominated by their Lewis basicity. However, no Lewis basicity data, in terms of Gibbs energy, are reported in the literature. We report here the first Lewis basicity of relevant monoanions through the determination of binding constants for the formation of stable 1 : 1 adducts, using a Zn II Schiff-base complex, 1, as a reference Lewis acid. Binding constants for equilibrium reactions were achieved through a nonlinear regression analysis of the binding isotherms from spectrophotometric titration data. The Lewis acidic complex 1 is a proper reference species because it forms stable adducts with both neutral and charged Lewis bases, thus allowing ranking their Lewis basicity. Binding constants indicate generally a strong Lewis basicity for all involved anions, rivalling or exceeding that of the stronger neutral bases, such as primary amines or pyridine. The cyanide anion results to be the strongest Lewis base, while the nitrate is the weaker base within the present anion series. Moreover, even the weaker base anions behave as stronger bases than the most common non-protogenic coordinating solvents.

  12. 4f-4f absorption spectral analysis of complexation of Pr(IlI) and Nd(IlI) with fumaric acid and maleic acid in different solvents

    International Nuclear Information System (INIS)

    Singh, Th. David; Taru Taru, T.; Nimita, L.; Singh, N. Rajmuhon

    2008-01-01

    Full text: Dimensions to lanthanide co-ordination chemistry in solution become a new age with the increase use of lanthanides as PROBES in the exploration of the structural function of biomolecular reactions. Absorption difference and comparative absorption spectrophotometric studies involving 4f-4f transitions for the complexation of Pr(III)/Nd(lIl) with fumaric acid and maleic acid have been carried out in CH 3 OH,CH 3 CN, dioxane and DMF. The small chemical and structural differences due to the ligands and solvents are shown to produce significant red shift and variation in the intensities of observed 4f-4f absorption bands. The variation in the spectral energy parameters - Slater Condon (F K ), Lande spin orbit coupling constant (ζ 4f ), nephelauxetic ratio (β), bonding parameter (b 1/2 ) and percent covalency (δ) are calculated and correlated with binding of the ligands with Pr(III)/Nd(III). In addition to this experimentally calculated oscillator strengths (P) and calculated values of Judd-Ofelt electric dipole intensity parameters, T λ (λ=2,4,6) are discussed for different 4f-4f transitions in different experimental conditions to discuss the nature of bonding between Ln(lIl) and ligands. The participation of π-electron density of ligands with complexation is also discussed

  13. Complementing approaches to demonstrate chlorinated solvent biodegradation in a complex pollution plume: Mass balance, PCR and compound-specific stable isotope analysis

    Science.gov (United States)

    Courbet, Christelle; Rivière, Agnès; Jeannottat, Simon; Rinaldi, Sandro; Hunkeler, Daniel; Bendjoudi, Hocine; de Marsily, Ghislain

    2011-11-01

    This work describes the use of different complementing methods (mass balance, polymerase chain reaction assays and compound-specific stable isotope analysis) to demonstrate the existence and effectiveness of biodegradation of chlorinated solvents in an alluvial aquifer. The solvent-contaminated site is an old chemical factory located in an alluvial plain in France. As most of the chlorinated contaminants currently found in the groundwater at this site were produced by local industries at various times in the past, it is not enough to analyze chlorinated solvent concentrations along a flow path to convincingly demonstrate biodegradation. Moreover, only a few data were initially available to characterize the geochemical conditions at this site, which were apparently complex at the source zone due to (i) the presence of a steady oxygen supply to the groundwater by irrigation canal losses and river infiltration and (ii) an alkaline pH higher than 10 due to former underground lime disposal. A demonstration of the existence of biodegradation processes was however required by the regulatory authority within a timeframe that did not allow a full geochemical characterization of such a complex site. Thus a combination of different fast methods was used to obtain a proof of the biodegradation occurrence. First, a mass balance analysis was performed which revealed the existence of a strong natural attenuation process (biodegradation, volatilization or dilution), despite the huge uncertainty on these calculations. Second, a good agreement was found between carbon isotopic measurements and PCR assays (based on 16S RNA gene sequences and functional genes), which clearly indicated reductive dechlorination of different hydrocarbons (Tetrachloroethene—PCE-, Trichloroethene—TCE-, 1,2- cisDichloroethene— cis-1,2-DCE-, 1,2- transDichloroethene— trans-1,2-DCE-, 1,1-Dichloroethene—1,1-DCE-, and Vinyl Chloride—VC) to ethene. According to these carbon isotope measurements

  14. Performance of thermally-chargeable supercapacitors in different solvents.

    Science.gov (United States)

    Lim, Hyuck; Zhao, Cang; Qiao, Yu

    2014-07-07

    The influence of solvent on the temperature sensitivity of the electrode potential of thermally-chargeable supercapacitors (TCSs) is investigated. For large electrodes, the output voltage is positively correlated with the dielectric constant of solvent. When nanoporous carbon electrodes are used, different characteristics of system performance are observed, suggesting that possible size effects must be taken into consideration when the solvent molecules and solvated ions are confined in a nanoenvironment.

  15. Solvent Effects on Nuclear Magnetic Resonance 2J(C,Hf and 1J(C,Hf Spin–Spin Coupling Constants in Acetaldehyde

    Directory of Open Access Journals (Sweden)

    Angel Esteban

    2003-02-01

    Full Text Available Abstract: The known solvent dependence of 1J(Cc,Hf and 2J(C1,Hf couplings in acetaldehyde is studied from a theoretical viewpoint based on the density functional theory approach where the dielectric solvent effect is taken into account with the polarizable continuum model. The four terms of scalar couplings, Fermi contact, paramagnetic spin orbital, diamagnetic spin orbital and spin dipolar, are calculated but the solvent effect analysis is restricted to the first term since for both couplings it is by far the dominant contribution. Experimental trends of Δ1J(Cc,Hf and Δ2J(C1,Hf Vs ε (the solvent dielectric constant are correctly reproduced although they are somewhat underestimated. Specific interactions between solute and solvent molecules are studied for dimethylsulfoxide, DMSO, solutions considering two different one-to-one molecular complexes between acetaldehyde and DMSO. They are determined by interactions of type C=O---H---C and S=O---H---C, and the effects of such interactions on 1J(Cc,Hf and 2J(C1,Hf couplings are analyzed. Even though only in a semiquantitative way, it is shown that the effect of such interactions on the solvent effects, of Δ1J(Cc,Hf and Δ2J(C1,Hf, tend to improve the agreement between calculated and experimental values. These results seem to indicate that a continuum dielectric model has not enough flexibility for describing quantitatively solvent effects on spin-spin couplings. Apparently, even for relatively weak hydrogen bonding, the contribution from “direct” interactions is of the same order of magnitude as the “dielectric” effect.

  16. Amine-free reversible hydrogen storage in formate salts catalyzed by ruthenium pincer complex without pH control or solvent change.

    Science.gov (United States)

    Kothandaraman, Jotheeswari; Czaun, Miklos; Goeppert, Alain; Haiges, Ralf; Jones, John-Paul; May, Robert B; Prakash, G K Surya; Olah, George A

    2015-04-24

    Due to the intermittent nature of most renewable energy sources, such as solar and wind, energy storage is increasingly required. Since electricity is difficult to store, hydrogen obtained by electrochemical water splitting has been proposed as an energy carrier. However, the handling and transportation of hydrogen in large quantities is in itself a challenge. We therefore present here a method for hydrogen storage based on a CO2 (HCO3 (-) )/H2 and formate equilibrium. This amine-free and efficient reversible system (>90 % yield in both directions) is catalyzed by well-defined and commercially available Ru pincer complexes. The formate dehydrogenation was triggered by simple pressure swing without requiring external pH control or the change of either the solvent or the catalyst. Up to six hydrogenation-dehydrogenation cycles were performed and the catalyst performance remained steady with high selectivity (CO free H2 /CO2 mixture was produced). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Active Mechanism of the Interphase Film-Forming Process for an Electrolyte Based on a Sulfolane Solvent and a Chelato-Borate Complexe.

    Science.gov (United States)

    Li, Chunlei; Wang, Peng; Li, Shiyou; Zhao, Dongni; Zhao, Qiuping; Liu, Haining; Cui, Xiao-Ling

    2018-06-14

    Electrolytes based on sulfolane (SL) solvents and lithium bis(oxalato)borate (LiBOB) chelato-borate complexes have been reported many times for use in advanced lithium-ion batteries due to their many advantages. This study aims to clarify the active mechanism of the interphase film-forming process to optimize the properties of these batteries by experimental analysis and theoretical calculations. The results indicate that the self-repairing film-forming process during the first cycle is divided into three stages: the initial film formation with an electric field force of ~1.80 V, the further growth of the preformation solid electrolyte interface (SEI) film at ~1.73 V, and the final formation of a complete SEI film at a potential below 0.7 V. Additionally, we can deduce that the decomposition of LiBOB and SL occurs throughout nearly the entire process of the formation of the SEI film. The decomposition product of BOB- anions tends to form films with an irregular structure, while the decomposition product of SL is in favor of the formation of a uniform SEI film.

  18. Characterization of a dielectric phantom for high-field magnetic resonance imaging applications

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Qi, E-mail: Qi.Duan@nih.gov; Duyn, Jeff H.; Gudino, Natalia; Zwart, Jacco A. de; Gelderen, Peter van [Advanced MRI Section, Laboratory of Functional and Molecular Imaging, National Institute of Neurological Disorders and Stroke, National Institutes of Health, Bethesda, Maryland 20892 (United States); Sodickson, Daniel K.; Brown, Ryan [The Bernard and Irene Schwartz Center for Biomedical Imaging, Department of Radiology, New York University School of Medicine, New York, New York 10016 (United States)

    2014-10-15

    Purpose: In this work, a generic recipe for an inexpensive and nontoxic phantom was developed within a range of biologically relevant dielectric properties from 150 MHz to 4.5 GHz. Methods: The recipe includes deionized water as the solvent, NaCl to primarily control conductivity, sucrose to primarily control permittivity, agar–agar to gel the solution and reduce heat diffusivity, and benzoic acid to preserve the gel. Two hundred and seventeen samples were prepared to cover the feasible range of NaCl and sucrose concentrations. Their dielectric properties were measured using a commercial dielectric probe and were fitted to a 3D polynomial to generate a recipe describing the properties as a function of NaCl concentration, sucrose concentration, and frequency. Results: Results indicated that the intuitive linear and independent relationships between NaCl and conductivity and between sucrose and permittivity are not valid. A generic polynomial recipe was developed to characterize the complex relationship between the solutes and the resulting dielectric values and has been made publicly available as a web application. In representative mixtures developed to mimic brain and muscle tissue, less than 2% difference was observed between the predicted and measured conductivity and permittivity values. Conclusions: It is expected that the recipe will be useful for generating dielectric phantoms for general magnetic resonance imaging (MRI) coil development at high magnetic field strength, including coil safety evaluation as well as pulse sequence evaluation (including B{sub 1}{sup +} mapping, B{sub 1}{sup +} shimming, and selective excitation pulse design), and other non-MRI applications which require biologically equivalent dielectric properties.

  19. Modulation of the adsorption properties at air-water interfaces of complexes of egg white ovalbumin with pectin by the dielectric constant

    NARCIS (Netherlands)

    Kudryashova, E.V.; Jongh, H.H.J.de

    2008-01-01

    The possibility of modulating the mesoscopic properties of food colloidal systems by the dielectric constant is studied by determining the impact of small amounts of ethanol (10%) on the adsorption of egg white ovalbumin onto the air-water interface in the absence and presence of pectin. The

  20. Dielectric spectroscopy of watermelons for quality sensing

    Science.gov (United States)

    Nelson, Stuart O.; Guo, Wen-chuan; Trabelsi, Samir; Kays, Stanley J.

    2007-07-01

    Dielectric properties of four small-sized watermelon cultivars, grown and harvested to provide a range of maturities, were measured with an open-ended coaxial-line probe and an impedance analyser over the frequency range from 10 MHz to 1.8 GHz. Probe measurements were made on the external surface of the melons and also on tissue samples from the edible internal tissue. Moisture content and soluble solids content (SSC) were measured for internal tissue samples, and SSC (sweetness) was used as the quality factor for correlation with the dielectric properties. Individual dielectric constant and loss factor correlations with SSC were low, but a high correlation was obtained between the SSC and permittivity from a complex-plane plot of dielectric constant and loss factor, each divided by SSC. However, SSC prediction from the dielectric properties by this relationship was not as high as expected (coefficient of determination about 0.4). Permittivity data (dielectric constant and loss factor) for the melons are presented graphically to show their relationships with frequency for the four melon cultivars and for external surface and internal tissue measurements. A dielectric relaxation for the external surface measurements, which may be attributable to a combination of bound water, Maxwell-Wagner, molecular cluster or ion-related effects, is also illustrated. Coefficients of determination for complex-plane plots, moisture content and SSC relationship, and penetration depth are also shown graphically. Further studies are needed for determining the practicality of sensing melon quality from their dielectric properties.

  1. Complementing approaches to demonstrate chlorinated solvent biodegradation in a complex pollution plume: mass balance, PCR and compound-specific stable isotope analysis.

    OpenAIRE

    Courbet Christelle; Rivière Agnès; Jeannottat Simon; Rinaldi Sandro; Hunkeler Daniel; Bendjoudi Hocine; De Marsily Ghislain

    2011-01-01

    This work describes the use of different complementing methods (mass balance polymerase chain reaction assays and compound specific stable isotope analysis) to demonstrate the existence and effectiveness of biodegradation of chlorinated solvents in an alluvial aquifer. The solvent contaminated site is an old chemical factory located in an alluvial plain in France. As most of the chlorinated contaminants currently found in the groundwater at this site were produced by local industries at vario...

  2. Materials Fundamentals of Gate Dielectrics

    CERN Document Server

    Demkov, Alexander A

    2006-01-01

    This book presents materials fundamentals of novel gate dielectrics that are being introduced into semiconductor manufacturing to ensure the continuous scalling of the CMOS devices. This is a very fast evolving field of research so we choose to focus on the basic understanding of the structure, thermodunamics, and electronic properties of these materials that determine their performance in device applications. Most of these materials are transition metal oxides. Ironically, the d-orbitals responsible for the high dielectric constant cause sever integration difficulties thus intrinsically limiting high-k dielectrics. Though new in the electronics industry many of these materials are wel known in the field of ceramics, and we describe this unique connection. The complexity of the structure-property relations in TM oxides makes the use of the state of the art first-principles calculations necessary. Several chapters give a detailed description of the modern theory of polarization, and heterojunction band discont...

  3. Dielectric relaxation studies of dilute solutions of amides

    Energy Technology Data Exchange (ETDEWEB)

    Malathi, M.; Sabesan, R.; Krishnan, S

    2003-11-15

    The dielectric constants and dielectric losses of formamide, acetamide, N-methyl acetamide, acetanilide and N,N-dimethyl acetamide in dilute solutions of 1,4-dioxan/benzene have been measured at 308 K using 9.37 GHz, dielectric relaxation set up. The relaxation time for the over all rotation {tau}{sub (1)} and that for the group rotation {tau}{sub (2)} of (the molecules were determined using Higasi's method. The activation energies for the processes of dielectric relaxation and viscous flow were determined by using Eyring's rate theory. From relaxation time behaviour of amides in non-polar solvent, solute-solvent and solute-solute type of molecular association is proposed.

  4. Super dielectric capacitor using scaffold dielectric

    OpenAIRE

    Phillips, Jonathan

    2018-01-01

    Patent A capacitor having first and second electrodes and a scaffold dielectric. The scaffold dielectric comprises an insulating material with a plurality of longitudinal channels extending across the dielectric and filled with a liquid comprising cations and anions. The plurality of longitudinal channels are substantially parallel and the liquid within the longitudinal channels generally has an ionic strength of at least 0.1. Capacitance results from the migrations of...

  5. Enzyme-lipid complex. Koso-shishitsu fukugotai

    Energy Technology Data Exchange (ETDEWEB)

    Okahata, Y; Ijiro, K [Tokyo Inst. of Technology., Tokyo (Japan)

    1990-08-01

    Enzyme, as unstable against organic solvent, being to be designed not to be quenched, organic solvent was tried to be made soluble by making enzyme-lipid complex. By mixing aqueous solution of enzyme with aqueous dispersion liquid of lipid, white powder was obtaind. Enzyme has monomolecular film through which reaction substance passes. Lipase-lipid complex, of which monomolecular film is qualified by hydrogen and other soft linkages, homogeneously dissolves in organic solvent and has a high activity, not given by the conventional qualification method. That activity being applied, asymmetrical esterificating reaction of alcohol could be done in organic solvent, containing high concentration reactive substance. While substance selectivity, not known in water, was obtained. Through reaction of amine with amino acid dielectrics in isooctane solvent by {alpha}-chymotrypsin-lipid complex, was indicated an exact substance selectivity. Enzyme-lipid complex dissolving in organic solvent, monomolecular film can be formed without being quenched on aqueous surface, which film can be utilized as sensor film. 10 refs., 5 figs. 1 tab.

  6. One electron reduction of 1,2 dihydroxy 9,10 anthraquinone and its transition metal complexes in aqueous-isopropanol-acetone mixed solvent: a steady state-state and pulse radiolysis study

    International Nuclear Information System (INIS)

    Das, Saurabh; Mandal, Parikshit C.; Rath, Madhab C.; Mukherjee, Tulsi

    1998-01-01

    One electron reduction of 1,2 dihydroxy 9,10 anthraquinone and its Cu(II) and Ni(II) and Fe(III) complexes have been studied in aqueous-isopropanol-acetone solvent. Results indicate that the reducing ketyl radical generated reacts with the ligand forming semiquinones which undergoes a disproportionation reaction. Formation and decay rates of semiquinones was calculated using pulse radiolysis. (author)

  7. Cellulose triacetate, thin film dielectric capacitor

    Science.gov (United States)

    Yen, Shiao-Ping S. (Inventor); Jow, T. Richard (Inventor)

    1995-01-01

    Very thin films of cellulose triacetate are cast from a solution containing a small amount of high boiling temperature, non-solvent which evaporates last and lifts the film from the casting surface. Stretched, oriented, crystallized films have high electrical breakdown properties. Metallized films less than about 2 microns in thickness form self-healing electrodes for high energy density, pulsed power capacitors. Thicker films can be utilized as a dielectric for a capacitor.

  8. Inertial polarization of dielectrics

    OpenAIRE

    Zavodovsky, A. G.

    2011-01-01

    It was proved that accelerated motion of a linear dielectric causes its polarization. Accelerated translational motion of a dielectric's plate leads to the positive charge of the surface facing the direction of motion. Metal plates of a capacitor were used to register polarized charges on a dielectric's surface. Potential difference between the capacitor plates is proportional to acceleration, when acceleration is constant potential difference grows with the increase of a dielectric's area, o...

  9. Communication: Modeling electrolyte mixtures with concentration dependent dielectric permittivity

    Science.gov (United States)

    Chen, Hsieh; Panagiotopoulos, Athanassios Z.

    2018-01-01

    We report a new implicit-solvent simulation model for electrolyte mixtures based on the concept of concentration dependent dielectric permittivity. A combining rule is found to predict the dielectric permittivity of electrolyte mixtures based on the experimentally measured dielectric permittivity for pure electrolytes as well as the mole fractions of the electrolytes in mixtures. Using grand canonical Monte Carlo simulations, we demonstrate that this approach allows us to accurately reproduce the mean ionic activity coefficients of NaCl in NaCl-CaCl2 mixtures at ionic strengths up to I = 3M. These results are important for thermodynamic studies of geologically relevant brines and physiological fluids.

  10. Optimal Super Dielectric Material

    Science.gov (United States)

    2015-09-01

    plate capacitor will reduce the net field to an unprecedented extent. This family of materials can form materials with dielectric values orders of... Capacitor -Increase Area (A)............8 b. Multi-layer Ceramic Capacitor -Decrease Thickness (d) .......10 c. Super Dielectric Material-Increase...circuit modeling, from [44], and B) SDM capacitor charge and discharge ...................................................22 Figure 15. Dielectric

  11. High performance solution processed zirconium oxide gate dielectric appropriate for low temperature device application

    Energy Technology Data Exchange (ETDEWEB)

    Hasan, Musarrat; Nguyen, Manh-Cuong; Kim, Hyojin; You, Seung-Won; Jeon, Yoon-Seok; Tong, Duc-Tai; Lee, Dong-Hwi; Jeong, Jae Kyeong; Choi, Rino, E-mail: rino.choi@inha.ac.kr

    2015-08-31

    This paper reports a solution processed electrical device with zirconium oxide gate dielectric that was fabricated at a low enough temperature appropriate for flexible electronics. Both inorganic dielectric and channel materials were synthesized in the same organic solvent. The dielectric constant achieved was 13 at 250 °C with a reasonably low leakage current. The bottom gate transistor devices showed the highest mobility of 75 cm{sup 2}/V s. The device is operated at low voltage with high-k dielectric with excellent transconductance and low threshold voltage. Overall, the results highlight the potential of low temperature solution based deposition in fabricating more complicated circuits for a range of applications. - Highlights: • We develop a low temperature inorganic dielectric deposition process. • We fabricate oxide semiconductor channel devices using all-solution processes. • Same solvent is used for dielectric and oxide semiconductor deposition.

  12. Model studies for evaluating the neurobehavioral effects of complex hydrocarbon solvents. II. Neurobehavioral effects of white spirit in rat and human

    NARCIS (Netherlands)

    Lammers, J.H.C.M.; Emmen, H.H.; Muijser, H.; Hoogendijk, E.M.G.; McKee, R.H.; Owen, D.E.; Kulig, B.M.

    2007-01-01

    To evaluate the neurobehavioral effects of hydrocarbon solvents and to establish a working model for extrapolating animal test data to humans, studies were conducted which involved inhalation exposure of rats and humans to white spirit (WS). The specific objectives of these studies were to evaluate

  13. Study on electrohydrodynamic jetting performance of organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Soo Hong; Nguyen, Xuan Hung; Gim, Yeong Hyeon; Ko, Han Seo [Sungkyunkwan University, Suwon (Korea, Republic of)

    2015-11-15

    The electrohydrodynamic (EHD) inkjet method is a printing technology using electricity. This technique allows for the printing of EML (Emission layer) materials, usually used for OLED devices, on a substrate. In this study, ejection experiments were performed with various solvents to verify which of them is properly ejected in the EHD method. The solvents employed were dielectric liquids with low viscosity and it was confirmed that among them two solvents, 1,2-Dichlorobenzene (DCB) and 1,2-Dichloroethane (DCE), produced the pulsating cone-Jet mode and stable cone-jet mode well. In addition, experiments were conducted to find out how the voltage and applied flux influence the ejection mode, in order to apply the result to the ejection control. It was found that the selected solvent was easily ejected and printed, due to the free surface charge and charge density determined by the dielectric constant. Finally, a patterning experiment was performed to verify proper printing.

  14. Solvent effect on thermodynamics of Ag(I) coordination to tripodal polypyridine ligands

    DEFF Research Database (Denmark)

    Del Piero, Silvia; Melchior, Andrea; Menotti, Davide

    2009-01-01

      An investigation on the thermodynamics of complex formation between Ag(I) ion and different tripodal ligands (tris[(2-pyridyl)methyl]amine) (TPA) and 6,6'-bis[bis(2-pyridylmethyl)aminomethyl]-2,2'-bipyridine (BTPA) has been carried out in the aprotic solvents dimethylsulfoxide (DMSO) and dimeth......  An investigation on the thermodynamics of complex formation between Ag(I) ion and different tripodal ligands (tris[(2-pyridyl)methyl]amine) (TPA) and 6,6'-bis[bis(2-pyridylmethyl)aminomethyl]-2,2'-bipyridine (BTPA) has been carried out in the aprotic solvents dimethylsulfoxide (DMSO......)ethyl)amine  (Me3TREN) as a result of  combination of structural rigidity of TPA and lower s-donor ability of pyridinic moieties with respect to primary and secondary amines. The same trend is found if the stability of Ag(I) complex with TPA is compared with that of tris(2-(dimethylamino)ethyl)amine  (ME6TREN...... is largely influenced by the different solvational properties of the solvents towards Ag(I) ion rather than by the significative difference in the dielectric constants. Udgivelsesdato: Oktober...

  15. Carbonyl Activation by Borane Lewis Acid Complexation: Transition States of H2 Splitting at the Activated Carbonyl Carbon Atom in a Lewis Basic Solvent and the Proton-Transfer Dynamics of the Boroalkoxide Intermediate.

    Science.gov (United States)

    Heshmat, Mojgan; Privalov, Timofei

    2017-07-06

    By using transition-state (TS) calculations, we examined how Lewis acid (LA) complexation activates carbonyl compounds in the context of hydrogenation of carbonyl compounds by H 2 in Lewis basic (ethereal) solvents containing borane LAs of the type (C 6 F 5 ) 3 B. According to our calculations, LA complexation does not activate a ketone sufficiently enough for the direct addition of H 2 to the O=C unsaturated bond; but, calculations indicate a possibly facile heterolytic cleavage of H 2 at the activated and thus sufficiently Lewis acidic carbonyl carbon atom with the assistance of the Lewis basic solvent (i.e., 1,4-dioxane or THF). For the solvent-assisted H 2 splitting at the carbonyl carbon atom of (C 6 F 5 ) 3 B adducts with different ketones, a number of TSs are computed and the obtained results are related to insights from experiment. By using the Born-Oppenheimer molecular dynamics with the DFT for electronic structure calculations, the evolution of the (C 6 F 5 ) 3 B-alkoxide ionic intermediate and the proton transfer to the alkoxide oxygen atom were investigated. The results indicate a plausible hydrogenation mechanism with a LA, that is, (C 6 F 5 ) 3 B, as a catalyst, namely, 1) the step of H 2 cleavage that involves a Lewis basic solvent molecule plus the carbonyl carbon atom of thermodynamically stable and experimentally identifiable (C 6 F 5 ) 3 B-ketone adducts in which (C 6 F 5 ) 3 B is the "Lewis acid promoter", 2) the transfer of the solvent-bound proton to the oxygen atom of the (C 6 F 5 ) 3 B-alkoxide intermediate giving the (C 6 F 5 ) 3 B-alcohol adduct, and 3) the S N 2-style displacement of the alcohol by a ketone or a Lewis basic solvent molecule. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. In-beam dielectric properties of alumina

    International Nuclear Information System (INIS)

    Molla, J.; Ibarra, A.; Hodgson, E.R.

    1995-01-01

    The dielectric properties (permittivity and loss tangent) of a 99.7% purity alumina grade have been measured over a wide frequency range (1 kHz-15 GHz) before and after 2 MeV electron irradiation at different temperatures. The dielectric properties at 15 GHz were measured during irradiation. Both prompt and fluence effects are observed together with permanent changes which continue to evolve following irradiation. The behaviour is complex, consistent with both radiation induced electronic effects and aggregation processes. ((orig.))

  17. STABILITY OF A CYLINDRICAL SOLUTE-SOLVENT INTERFACE: EFFECT OF GEOMETRY, ELECTROSTATICS, AND HYDRODYNAMICS.

    Science.gov (United States)

    Li, B O; Sun, Hui; Zhou, Shenggao

    The solute-solvent interface that separates biological molecules from their surrounding aqueous solvent characterizes the conformation and dynamics of such molecules. In this work, we construct a solvent fluid dielectric boundary model for the solvation of charged molecules and apply it to study the stability of a model cylindrical solute-solvent interface. The motion of the solute-solvent interface is defined to be the same as that of solvent fluid at the interface. The solvent fluid is assumed to be incompressible and is described by the Stokes equation. The solute is modeled simply by the ideal-gas law. All the viscous force, hydrostatic pressure, solute-solvent van der Waals interaction, surface tension, and electrostatic force are balanced at the solute-solvent interface. We model the electrostatics by Poisson's equation in which the solute-solvent interface is treated as a dielectric boundary that separates the low-dielectric solute from the high-dielectric solvent. For a cylindrical geometry, we find multiple cylindrically shaped equilibrium interfaces that describe polymodal (e.g., dry and wet) states of hydration of an underlying molecular system. These steady-state solutions exhibit bifurcation behavior with respect to the charge density. For their linearized systems, we use the projection method to solve the fluid equation and find the dispersion relation. Our asymptotic analysis shows that, for large wavenumbers, the decay rate is proportional to wavenumber with the proportionality half of the ratio of surface tension to solvent viscosity, indicating that the solvent viscosity does affect the stability of a solute-solvent interface. Consequences of our analysis in the context of biomolecular interactions are discussed.

  18. Solvents interactions with thermochromic print

    Directory of Open Access Journals (Sweden)

    Mirela Rožić

    2017-12-01

    Full Text Available In this study, the interactions between different solvents (benzene, acetone, cyclohexanone, various alcohols and water and thermochromic printing ink were investigated. Thermochromic printing ink was printed on metal surface. Components of thermochromic printing inks are polymeric microcapsules and classic yellow offset printing ink. Below its activation temperature, dye and developer within the microcapsules form a blue coloured complex. Therefore, thermochromic print is green. By heating above the activation temperature, blue colour of the complex turns into the leuco dye colourless state and the green colour of the prints turns into the yellow colour of the classic offset pigment. The results of the interaction with various solvents show that the thermochromic print is stable in all tested solvents except in ethanol, acetone and cyclohexanone. In ethanol, the green colour of the print becomes yellow. SEM analysis shows that microcapsules are dissolved. In acetone and cyclohexanone, the green colour of the print turns into blue, and the microcapsules become significantly more visible. Thus, the yellow pigment interacts with examined ketones. Based on the obtained interactions it can be concluded that the microcapsules have more polar nature than the classical pigment particles. Solvent-thermocromic print interactions were analysed using Hansen solubility parameters that rank the solvents based on their estimated interaction capabilities.

  19. Effect of B-site substitution of complex ions on dielectric and piezoelectric properties in (Bi1/2Na1/2)TiO3 piezoelectric ceramics

    International Nuclear Information System (INIS)

    Zhou Changrong; Liu Xinyu

    2008-01-01

    The effect of B-site substitution of complex ions on dielectric and piezoelectric properties in (Bi 1/2 Na 1/2 )Ti 1-x (Zn 1/3 Nb 2/3 ) x O 3 (BNTZN-100x) lead-free piezoelectric ceramics was investigated. X-ray diffraction analysis shows that the materials are mono-perovskite phase. The morphotropic phase boundary (MPB) of BNTZN-100x ceramics between rhombohedral and tetragonal locates in the range of 0.5% ≤ x ≤ 2.0%. Temperature dependence of dielectric constant shows that these compounds are relaxor ferroelectrics. The compositions near the MPB exhibit relatively high piezoelectric properties. The piezoelectric constant (d 33 ) and the electromechanical coupling factor (k t ) show the maximum values of d 33 = 97 pC N -1 and k t = 0.46 at x = 2.0% and x = 1.0%, respectively. The BNTZN-100x ceramics are good candidate for use as ultrasonic transducer ceramics for high anisotropic with high k t value and low k p value

  20. Characterization of dielectric materials

    Energy Technology Data Exchange (ETDEWEB)

    King, Danny J.; Babinec, Susan; Hagans, Patrick L.; Maxey, Lonnie C.; Payzant, Edward A.; Daniel, Claus; Sabau, Adrian S.; Dinwiddie, Ralph B.; Armstrong, Beth L.; Howe, Jane Y.; Wood, III, David L.; Nembhard, Nicole S.

    2017-06-27

    A system and a method for characterizing a dielectric material are provided. The system and method generally include applying an excitation signal to electrodes on opposing sides of the dielectric material to evaluate a property of the dielectric material. The method can further include measuring the capacitive impedance across the dielectric material, and determining a variation in the capacitive impedance with respect to either or both of a time domain and a frequency domain. The measured property can include pore size and surface imperfections. The method can still further include modifying a processing parameter as the dielectric material is formed in response to the detected variations in the capacitive impedance, which can correspond to a non-uniformity in the dielectric material.

  1. A differential dielectric spectroscopy setup to measure the electric dipole moment and net charge of colloidal quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Kortschot, R. J.; Bakelaar, I. A.; Erné, B. H.; Kuipers, B. W. M., E-mail: B.W.M.Kuipers@uu.nl [Van ' t Hoff Laboratory for Physical and Colloid Chemistry, Debye Institute for Nanomaterials Science, Utrecht University, Padualaan 8, 3584 CH Utrecht (Netherlands)

    2014-03-15

    A sensitive dielectric spectroscopy setup is built to measure the response of nanoparticles dispersed in a liquid to an alternating electric field over a frequency range from 10{sup −2} to 10{sup 7} Hz. The measured complex permittivity spectrum records both the rotational dynamics due to a permanent electric dipole moment and the translational dynamics due to net charges. The setup consists of a half-transparent capacitor connected in a bridge circuit, which is balanced on pure solvent only, using a software-controlled compensating voltage. In this way, the measured signal is dominated by the contributions of the nanoparticles rather than by the solvent. We demonstrate the performance of the setup with measurements on a dispersion of colloidal CdSe quantum dots in the apolar liquid decalin.

  2. A differential dielectric spectroscopy setup to measure the electric dipole moment and net charge of colloidal quantum dots.

    Science.gov (United States)

    Kortschot, R J; Bakelaar, I A; Erné, B H; Kuipers, B W M

    2014-03-01

    A sensitive dielectric spectroscopy setup is built to measure the response of nanoparticles dispersed in a liquid to an alternating electric field over a frequency range from 10(-2) to 10(7) Hz. The measured complex permittivity spectrum records both the rotational dynamics due to a permanent electric dipole moment and the translational dynamics due to net charges. The setup consists of a half-transparent capacitor connected in a bridge circuit, which is balanced on pure solvent only, using a software-controlled compensating voltage. In this way, the measured signal is dominated by the contributions of the nanoparticles rather than by the solvent. We demonstrate the performance of the setup with measurements on a dispersion of colloidal CdSe quantum dots in the apolar liquid decalin.

  3. Method of making dielectric capacitors with increased dielectric breakdown strength

    Science.gov (United States)

    Ma, Beihai; Balachandran, Uthamalingam; Liu, Shanshan

    2017-05-09

    The invention is directed to a process for making a dielectric ceramic film capacitor and the ceramic dielectric laminated capacitor formed therefrom, the dielectric ceramic film capacitors having increased dielectric breakdown strength. The invention increases breakdown strength by embedding a conductive oxide layer between electrode layers within the dielectric layer of the capacitors. The conductive oxide layer redistributes and dissipates charge, thus mitigating charge concentration and micro fractures formed within the dielectric by electric fields.

  4. Organic Solvent Tropical Report

    International Nuclear Information System (INIS)

    COWLEY, W.L.

    2000-01-01

    This report provides the basis for closing the organic solvent safety issue. Sufficient information is presented to conclude that risk posed by an unmitigated organic solvent fire is within risk evaluation guidelines

  5. Canyon solvent cleaning

    International Nuclear Information System (INIS)

    Reif, D.J.

    1986-01-01

    The HM Process at the Savannah River Plant (SRP) uses 7.5% tributylphosphate in n-paraffin as an extraction solvent. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, produce decontamination, and separation efficiencies. Laboratory studies to improve online solvent cleaning have shown the carbonate washing, although removing residual solvent activity does not remove binding ligands that hold fission products in the solvent. Treatment of solvent by an alumina adsorption process removes binding ligands and significantly improves recycle solvent performance. Both laboratory work defining a full-scale alumina adsorption process and the use of the process to clean HM Process first cycle solvent are presented

  6. Solvent wash solution

    International Nuclear Information System (INIS)

    Neace, J.C.

    1986-01-01

    This patent describes a process for removing diluent degradation products from a solvent extraction solution comprising an admixture of an organic extractant for uranium and plutonium and a non-polar organic liquid diluent, which has been used to recover uranium and plutonium from spent nuclear fuel. Comprising combining a wash solution consisting of: (a) water; and (b) a positive amount up to about, an including, 50 volume percent of at least one highly-polar water-miscible organic solvent, based on the total volume of the water and the highly-polar organic solvent, with the solvent extraction solution after uranium and plutonium values have been stripped from the solvent extraction solution, the diluent degradation products dissolving in the highly-polar organic solvent and the extractant and diluent of the extraction solution not dissolving in the highly-polar organic solvent, and separating the highly-polar organic solvent and the extraction solution to obtain a purified extraction solution

  7. Contemporary dielectric materials

    CERN Document Server

    Saravanan, R

    2016-01-01

    This book deals with experimental results of the physical characterization of several important, dielectric materials of great current interest. The experimental tools used for the analysis of these materials include X-ray diffraction, dielectric measurements, magnetic measurements using a vibrating sample magnetometer, optical measurements using a UV-Visible spectrometer etc.

  8. Dielectric Modulated FET (DMFET)

    Indian Academy of Sciences (India)

    First page Back Continue Last page Graphics. Working Principle: Change in Dielectric constant due to immobilization of biomolecules in the nanogap cavity leads to change in effective gate capacitance and thus gate bias for FET. Working Principle: Change in Dielectric constant due to immobilization of biomolecules in the ...

  9. Thermal dielectric function

    International Nuclear Information System (INIS)

    Moneta, M.

    1999-01-01

    Thermal dielectric functions ε(k,ω) for homogeneous electron gas were determined and discussed. The ground state of the gas is described by the Fermi-Dirac momentum distribution. The low and high temperature limits of ε(k,ω) were related to the Lindhard dielectric function and to ε(k, omega) derived for Boltzmann and for classical momentum distributions, respectively. (author)

  10. Dielectric relaxation in AgI doped silver selenomolybdate glasses

    Science.gov (United States)

    Palui, A.; Shaw, A.; Ghosh, A.

    2016-05-01

    We report the study of dielectric properties of some silver ion conducting silver selenomolybdate mixed network former glasses in a wide frequency and temperature range. The experimental data have been analyzed in the framework of complex dielectric permittivity. The dielectric permittivity data have been well interpreted using the Cole-Cole function. The temperature dependence of relaxation time obtained from real part of dielectric permittivity data shows an Arrhenius behavior. The activation energy shows a decreasing trend with the increase of doping content. Values of stretched exponential parameter are observed to be independent of temperature and composition.

  11. Dielectric constant of ionic solutions: a field-theory approach.

    Science.gov (United States)

    Levy, Amir; Andelman, David; Orland, Henri

    2012-06-01

    We study the variation of the dielectric response of a dielectric liquid (e.g. water) when a salt is added to the solution. Employing field-theoretical methods, we expand the Gibbs free energy to first order in a loop expansion and calculate self-consistently the dielectric constant. We predict analytically the dielectric decrement which depends on the ionic strength in a complex way. Furthermore, a qualitative description of the hydration shell is found and is characterized by a single length scale. Our prediction fits rather well a large range of concentrations for different salts using only one fit parameter related to the size of ions and dipoles.

  12. Stereochemistry of Complex Marine Natural Products by Quantum Mechanical Calculations of NMR Chemical Shifts: Solvent and Conformational Effects on Okadaic Acid

    Directory of Open Access Journals (Sweden)

    Humberto J. Domínguez

    2014-01-01

    Full Text Available Marine organisms are an increasingly important source of novel metabolites, some of which have already inspired or become new drugs. In addition, many of these molecules show a high degree of novelty from a structural and/or pharmacological point of view. Structure determination is generally achieved by the use of a variety of spectroscopic methods, among which NMR (nuclear magnetic resonance plays a major role and determination of the stereochemical relationships within every new molecule is generally the most challenging part in structural determination. In this communication, we have chosen okadaic acid as a model compound to perform a computational chemistry study to predict 1H and 13C NMR chemical shifts. The effect of two different solvents and conformation on the ability of DFT (density functional theory calculations to predict the correct stereoisomer has been studied.

  13. Core Analysis Combining MT (TIPPER) and Dielectric Sensors (Sans EC) in Earth and Space

    Science.gov (United States)

    Mound, Michael C.; Dudley, Kenneth L.

    2015-01-01

    On terrestrial planets and moons of our solar system cores reveal details about a geological structure's formation, content, and history. The strategy for the search for life is focused first on finding water which serves as a universal solvent, and identifying the rocks which such solvent act upon to release the constituent salts, minerals, ferrites, and organic compounds and chemicals necessary for life. Dielectric spectroscopy measures the dielectric properties of a medium as a function of frequency. Reflection measurements in the frequency range from 300 kHz to 300 MHz were carried out using RF and microwave network analyzers interrogating SansEC Sensors placed on clean geological core samples. These were conducted to prove the concept feasibility of a new geology instrument useful in the field and laboratory. The results show that unique complex frequency spectra can be acquired for a variety of rock core samples. Using a combination of dielectric spectroscopy and computer simulation techniques the magnitude and phase information of the frequency spectra can be converted to dielectric spectra. These low-frequency dielectric properties of natural rock are unique, easily determined, and useful in characterizing geology. TIPPER is an Electro-Magnetic Passive-Source Geophysical Method for Detecting and Mapping Geothermal Reservoirs and Mineral Resources. This geophysical method uses distant lightning and solar wind activity as its energy source. The most interesting deflections are caused by the funneling of electrons into more electrically conductive areas like mineralized faults, water or geothermal reservoirs. We propose TIPPER to be used with SansEC for determining terrain/ocean chemistry, ocean depth, geomorphology of fracture structures, and other subsurface topography characteristics below the ice crust of Jovian moons. NASA envisions lander concepts for exploration of these extraterrestrial icy surfaces and the oceans beneath. One such concept would use a

  14. Is Water a Universal Solvent for Life?

    Science.gov (United States)

    Pohorill, Andrew

    2012-01-01

    There are strong reasons to believe that the laws, principles and constraints of physics and chemistry are universal. It is much less clear how this universality translates into our understanding of the origins of life. Conventionally, discussions of this topic focus on chemistry that must be sufficiently rich to seed life. Although this is clearly a prerequisite for the emergence of living systems, I propose to focus instead on self-organization of matter into functional structures capable of reproduction, evolution and responding to environmental changes. In biology, most essential functions are largely mediated by noncovalent interactions (interactions that do not involve making or breaking chemical bonds). Forming chemical bonds is only a small part of what living systems do. There are specific implications of this point of view for universality. I will concentrate on one of these implications. Strength of non-covalent interactions must be properly tuned. If they were too weak, the system would exhibit undesired, uncontrolled response to natural fluctuations of physical and chemical parameters. If they were too strong kinetics of biological processes would be slow and energetics costly. This balance, however, is not a natural property of complex chemical systems. Instead, it has to be achieved with the aid of an appropriate solvent for life. In particular, potential solvents for life must be characterized by a high dielectric constant to ensure solubility of polar species and sufficient flexibility of biological structures stabilized by electrostatic interactions. Among these solvents, water exhibits a remarkable trait that it also promotes solvophobic (hydrophobic) interactions between non-polar species, typically manifested by a tendency of these species to aggregate and minimize their contacts with the aqueous solvent. Hydrophobic interactions are responsible, at least in part, for many self-organization phenomena in biological systems, such as the formation

  15. One-electron reduction of 1,2-dihydroxy-9,10-anthraquinone and some of its transition metal complexes in aqueous solution and in aqueous isopropanol-acetone-mixed solvent: a steady-state and pulse radiolysis study

    International Nuclear Information System (INIS)

    Das, S.; Bhattacharya, A.; Mandal, P.C.; Rath, M.C.; Mukherjee, T.

    2002-01-01

    One-electron reduction of 1,2-dihydroxy-9,10-anthraquinone (DHA) and its complexes with Cu(II), Ni(II) and Fe(III), by acetone ketyl radical, (CH 3 ) 2 C·OH, was carried out in aqueous solution and in aqueous isopropanol acetone mixed solvent using both steady-state gamma radiolysis and pulse radiolysis techniques. The rate constants for the reduction of DHA at different pH values by the ketyl radical are in the order of ∼10 9 dm 3 mol -1 s -1 , whereas those for the metal complexes are comparatively less. These rate constants are, however, in conformity with the one-electron reduction potentials of the ligand in free DHA and in its metal complexes. Decay kinetics of the one-electron reduced semiquinones of the free ligand and its metal complexes suggest disproportionation of the semiquinone in the case of the free ligand and intermolecular electron transfer from the co-ordinated semiquinone radical to the metal centre in the case of the metal complexes

  16. Fluorescence quenching of newly synthesized biologically active coumarin derivative by aniline in binary solvent mixtures

    International Nuclear Information System (INIS)

    Evale, Basavaraj G.; Hanagodimath, S.M.

    2009-01-01

    The fluorescence quenching of newly synthesized coumarin (chromen-2-one) derivative, 4-(5-methyl-3-furan-2-yl-benzofuran-2-yl)-7-methyl-chromen-2-one (MFBMC) by aniline in different solvent mixtures of benzene and acetonitrile was determined at room temperature (296 K) by steady-state fluorescence measurements. The quenching is found to be appreciable and positive deviation from linearity was observed in the Stern-Volmer (S-V) plots in all the solvent mixtures. This could be explained by static and dynamic quenching models. The positive deviation in the S-V plot is interpreted in terms of ground-state complex formation model and sphere of action static quenching model. Various rate parameters for the fluorescence quenching process have been determined by using the modified Stern-Volmer equation. The sphere of action static quenching model agrees very well with experimental results. The dependence of Stern-Volmer constant K SV , on dielectric constant ε of the solvent mixture suggests that the fluorescence quenching is diffusion-limited. Further with the use of finite sink approximation model, it is concluded that these bimolecular quenching reactions are diffusion-limited. Using lifetime (τ o ) data, the distance parameter R' and mutual diffusion coefficient D are estimated independently.

  17. Effects of solvent-solute interactions on the stereochemical course in high energy chlorine-38-for chlorine substitution in meso- and rac-1,2-dichloro-1,2-difluoroethane in solution

    International Nuclear Information System (INIS)

    Acciani, T.R.; Su, Y.Y.; Ache, H.J.; Rack, E.P.

    1978-01-01

    The stereochemistry of the chlorine-38-for-chlorine substitution was studied in diastereomeric 1,2-dichloro-1,2-difluoroethanes in solutions. The experimental results are very similar to those previously observed in meso- and d,l-2,4-dichloropentane solutions which by analogy suggest that the stereochemical course of the substitution process is in the present system also predominantly and directly controlled by the properties of the solvent molecules, most likely by the factors which govern the magnitude of intermolecular interaction between reactants and solvents. It appears that strong intermolecular interaction favors substitution via retention of configuration, whereas in solvents having a low dielectric constant the retention/inversion ratio decreases. These results seem further to suggest that if the reaction occurs via the previously postulated caged complex or excited intermediate that the primary attack by the energetic 38 Cl proceeds via both front and backside replacement

  18. Improved Dielectric Films For Capacitors

    Science.gov (United States)

    Yen, Shiao-Ping S.; Lewis, Carol R.; Cygan, Peter J.; Jow, T. Richard

    1994-01-01

    Dielectric films made from blends of some commercially available high-dielectric-constant cyanoresins with each other and with cellulose triacetate (CTA) have both high dielectric constants and high breakdown strengths. Dielectric constants as high as 16.2. Films used to produce high-energy-density capacitors.

  19. Dielectric materials for electrical engineering

    CERN Document Server

    Martinez-Vega, Juan

    2013-01-01

    Part 1 is particularly concerned with physical properties, electrical ageing and modeling with topics such as the physics of charged dielectric materials, conduction mechanisms, dielectric relaxation, space charge, electric ageing and life end models and dielectric experimental characterization. Part 2 concerns some applications specific to dielectric materials: insulating oils for transformers, electrorheological fluids, electrolytic capacitors, ionic membranes, photovoltaic conversion, dielectric thermal control coatings for geostationary satellites, plastics recycling and piezoelectric poly

  20. Cast dielectric composite linear accelerator

    Science.gov (United States)

    Sanders, David M [Livermore, CA; Sampayan, Stephen [Manteca, CA; Slenes, Kirk [Albuquerque, NM; Stoller, H M [Albuquerque, NM

    2009-11-10

    A linear accelerator having cast dielectric composite layers integrally formed with conductor electrodes in a solventless fabrication process, with the cast dielectric composite preferably having a nanoparticle filler in an organic polymer such as a thermosetting resin. By incorporating this cast dielectric composite the dielectric constant of critical insulating layers of the transmission lines of the accelerator are increased while simultaneously maintaining high dielectric strengths for the accelerator.

  1. Optics of dielectric microstructures

    DEFF Research Database (Denmark)

    Søndergaard, Thomas

    2002-01-01

    From the work carried out within the ph.d. project two topics have been selected for this thesis, namely emission of radiation by sources in dielectric microstructures, and planar photonic crystal waveguides. The work done within the first topic, emission of radiation by sources in dielectric...... microstructures, will be presented in the part I of this thesis consisting of the chapters 2-5. An introductions is given in chapter 2. In part I three methods are presented for calculating spontaneous and classical emission from sources in dielectric microstructures. The first method presented in chapter 3...... is based on the Fermi Golden Rule, and spontaneous emission from emitters in a passive dielectric microstructure is calculated by summing over the emission into each electromagnetic mode of the radiation field. This method is applied to investigate spontaneous emission in a two-dimensional photonic crystal...

  2. A study of the complex formation of bivalent lanthanides with tetraphenylborate-ion in organic solvents. Izuchenie kompleksoobrazovaniya dvukhvalentnykh lantanoidov s tetrafenilborat-ionom v organicheskikh rastvoritelyakh

    Energy Technology Data Exchange (ETDEWEB)

    Veleshko, I E; Mikheev, N B; Kulyukhin, S A

    1992-01-01

    Interaction of bivalent lanthanides with tetraphenylborate-ion (BPh[sub 4][sup -]) in solutions of CH[sub 3]CN and C[sub 2]H[sub 5]OH was studied by the methods of cocrystallization, conductometry and spectrophotometry.It is shown that no complexing between Ln[sup 2+] and BPh[sub 4][sup -] takes place in ethanol, wheras in CH[sub 3]CN formation of second sphere complexes of the composition [Ln(CH[sub 3]CN)[sub n

  3. Dielectric Properties of Landmine Fillers (Waxes and Sands)

    National Research Council Canada - National Science Library

    Curtis, John

    1997-01-01

    .... The original data were collected in the form of the real and imaginary parts of the complex dielectric constant versus frequency utilizing a Hewlett-Packard 8510C Vector Network Analyzer System...

  4. PREFACE: Dielectrics 2009: Measurement Analysis and Applications

    Science.gov (United States)

    Vaughan, Alun; Williams, Graham

    2009-07-01

    the Website of the IOP Dielectrics Group by Professor John Fothergill. The 2009 meeting of The Dielectrics Group of the IOP at Reading was therefore held to celebrate 40 years of coordinated dielectrics research activity in the UK and beyond, as presented at these DDG and Dielectrics Society Meetings. To reflect the range of topics addressed since the first DDG meeting in 1968, the organizing committee chose to break away from the tradition of a strongly- themed event and, rather, adopted a general, inclusive approach, albeit based upon four broad technical areas: Theme 1: Molecular and bulk relaxation processes Theme 2: Space charge and charge transport in insulators Theme 3: Functional materials Theme 4: Bio-dielectrics and complex systems. The result was a highly successful conference that attracted some 90 delegates from 11 countries, giving the event a truly international flavour, and which included both regular and new attendees. Consequently, the organizing committee would like to thank, our colleagues at the IOP, the invited speakers, our sponsors at National Grid, EDF Energy and Dow Wire and Cables and all the delegates for making the event such a success. Professor Alun Vaughan, Professor Graham Williams

  5. Supramolecular Complexes Formed by the Self-assembly of Hydrophobic Bis(Zn(2+)-cyclen) Complexes, Copper, and Di- or Triimide Units for the Hydrolysis of Phosphate Mono- and Diesters in Two-Phase Solvent Systems (Cyclen=1,4,7,10-Tetraazacyclododecane).

    Science.gov (United States)

    Hisamatsu, Yosuke; Miyazawa, Yuya; Yoneda, Kakeru; Miyauchi, Miki; Zulkefeli, Mohd; Aoki, Shin

    2016-01-01

    We previously reported on supramolecular complexes 4 and 5, formed by the 4 : 4 : 4 or 2 : 2 : 2 assembly of a dimeric zinc(II) complex (Zn2L(1)) having 2,2'-bipyridyl linker, dianion of cyanuric acid (CA) or 5,5-diethylbarbituric acid (Bar), and copper(II) ion (Cu(2+)) in an aqueous solution. The supermolecule 4 possesses Cu2(μ-OH)2 centers and catalyzes hydrolysis of phosphate monoester dianion, mono(4-nitrophenyl)phosphate (MNP), at neutral pH. In this manuscript, we report on design and synthesis of hydrophobic supermolecules 9 and 10 by 4 : 4 : 4 and 2 : 2 : 2 self-assembly of hydrophobic Zn2L(2) and Zn2L(3) containing long alkyl chains, CA or Bar, and Cu(2+) and their phosphatase activity for the hydrolysis of MNP and bis(4-nitrophenyl)phosphate (BNP) in two-phase solvent systems. We assumed that the Cu2(μ-OH)2 active sites of 9 and 10 would be more stable in organic solvent than in aqueous solution and that product inhibition of the supermolecules might be avoided by the release of HPO4(2-) into the aqueous layer. The findings indicate that 9 and 10 exhibit phosphatase activity in the two-phase solvent system, although catalytic turnover was not observed. Furthermore, the hydrolysis of BNP catalyzed by the hydrophobic 2 : 2 : 2 supermolecules in the two-phase solvent system is described.

  6. Chemical reactions in solvents and melts

    CERN Document Server

    Charlot, G

    1969-01-01

    Chemical Reactions in Solvents and Melts discusses the use of organic and inorganic compounds as well as of melts as solvents. This book examines the applications in organic and inorganic chemistry as well as in electrochemistry. Organized into two parts encompassing 15 chapters, this book begins with an overview of the general properties and the different types of reactions, including acid-base reactions, complex formation reactions, and oxidation-reduction reactions. This text then describes the properties of inert and active solvents. Other chapters consider the proton transfer reactions in

  7. Spreadsheet algorithm for stagewise solvent extraction

    International Nuclear Information System (INIS)

    Leonard, R.A.; Regalbuto, M.C.

    1994-01-01

    The material balance and equilibrium equations for solvent extraction processes have been combined with computer spreadsheets in a new way so that models for very complex multicomponent multistage operations can be setup and used easily. A part of the novelty is the way in which the problem is organized in the spreadsheet. In addition, to facilitate spreadsheet setup, a new calculational procedure has been developed. The resulting Spreadsheet Algorithm for Stagewise Solvent Extraction (SASSE) can be used with either IBM or Macintosh personal computers as a simple yet powerful tool for analyzing solvent extraction flowsheets. 22 refs., 4 figs., 2 tabs

  8. Solvent extraction of anionic chelate complexes of lanthanum(III), europium(III), lutetium(III), scandium(III), and indium(III) with 2-thenoyltrifluoroacetone as ion-pairs with tetrabutylammonium ions

    International Nuclear Information System (INIS)

    Noro, Junji; Sekine, Tatsuya.

    1992-01-01

    The solvent extraction of lanthanum(III), europium(III), lutetium(III), scandium(III), and indium(III) in 0.1 mol dm -3 sodium nitrate solutions with 2-thenoyltrifluoroacetone (Htta) in the absence and presence of tetrabutylammonium ions (tba + ) into carbon tetrachloride was measured. The extraction of lanthanum(III), europium(III), and lutetium(III) was greatly enhanced by the addition of tba + ; this could be explained in terms of the extraction of a ternary complex, M(tta) 4 - tba + . However, the extractions of scandium(III) and indium(III) were nearly the same when tba + was added. The data were treated on the basis of the formation equilibrium of the ternary complex from the neutral chelate, M(tta) 3 , with the extracted ion-pairs of the reagents, tta - tba + , in the organic phase. It was concluded that the degree of association of M(tta) 3 with the ion-pair, tta - tba + , is greater in the order La(tta) 3 ≅ Eu(tta) 3 > Lu(tta) 3 , or that the stability of the ternary complex in the organic phase is higher in the order La(tta) 4 - tba + ≅ Eu(tta) 4 - tba + > Lu(tta) 4 - tba + . This is similar to those of adduct metal chelates of Htta with tributylphosphate (TBP) in synergistic extraction systems. (author)

  9. Influence of Solvent-Solvent and Solute-Solvent Interaction Properties on Solvent-Mediated Potential

    International Nuclear Information System (INIS)

    Zhou Shiqi

    2005-01-01

    A recently proposed universal calculational recipe for solvent-mediated potential is applied to calculate excess potential of mean force between two large Lennard-Jones (LJ) or hard core attractive Yukawa particles immersed in small LJ solvent bath at supercritical state. Comparison between the present prediction with a hypernetted chain approximation adopted for solute-solute correlation at infinitely dilute limit and existing simulation data shows high accuracy for the region with large separation, and qualitative reliability for the solute particle contact region. The calculational simplicity of the present recipe allows for a detailed investigation on the effect of the solute-solvent and solvent-solvent interaction details on the excess potential of mean force. The resultant conclusion is that gathering of solvent particles near a solute particle leads to repulsive excess PMF, while depletion of solvent particles away from the solute particle leads to attractive excess PMF, and minor change of the solvent-solvent interaction range has large influence on the excess PMF.

  10. Structural transition of a homopolymer in solvents mixture

    Energy Technology Data Exchange (ETDEWEB)

    Guettari, Moez [Laboratoire de Physique de la Matiere Molle, Faculte des Sciences de Tunis, Campus Universitaire, 2092 Tunisia (Tunisia)], E-mail: gtarimoez@yahoo.fr; Aschi, Adel; Gomati, Riadh; Gharbi, Abdelhafidh [Laboratoire de Physique de la Matiere Molle, Faculte des Sciences de Tunis, Campus Universitaire, 2092 Tunisia (Tunisia)

    2008-07-01

    The present work is aimed at studying the thermodynamic behaviour of a polymer in solvents mixture. Dynamic light scattering is used to measure the hydrodynamic radius of polyvinylpyrrolidone (M{sub w} = 360,000 g/mol), in water/methanol solvents mixture, versus the mixed solvents composition at 25 deg. C. Then, we show that the polymer conformation adopts the Coil-Globule-Coil structure when the methanol molar fraction X{sub A} is varied. This transition is attributed to solvent quality change which result from water and methanol complex formation. The polymer contraction rate calculated for each composition takes its maximum value at X{sub A} = 0.17. Hildebrand theory assuming the solvents mixture as an equivalent solvent was used to analyze the change in mixed solvents quality. These changes can be attributed to dispersive forces in solvents mixture.

  11. Structural transition of a homopolymer in solvents mixture

    International Nuclear Information System (INIS)

    Guettari, Moez; Aschi, Adel; Gomati, Riadh; Gharbi, Abdelhafidh

    2008-01-01

    The present work is aimed at studying the thermodynamic behaviour of a polymer in solvents mixture. Dynamic light scattering is used to measure the hydrodynamic radius of polyvinylpyrrolidone (M w = 360,000 g/mol), in water/methanol solvents mixture, versus the mixed solvents composition at 25 deg. C. Then, we show that the polymer conformation adopts the Coil-Globule-Coil structure when the methanol molar fraction X A is varied. This transition is attributed to solvent quality change which result from water and methanol complex formation. The polymer contraction rate calculated for each composition takes its maximum value at X A = 0.17. Hildebrand theory assuming the solvents mixture as an equivalent solvent was used to analyze the change in mixed solvents quality. These changes can be attributed to dispersive forces in solvents mixture

  12. Fluorometric determination of aluminium (III) and cadmium (II) by solvent extraction of the ternary complex composed of metal ion, 8-hydroxy-5-quinolinesulfonic acid, and methyltrioctylammonium ion

    International Nuclear Information System (INIS)

    Kondoh, Yukihiro; Kataoka, Masamitsu; Kambara, Tomihito

    1982-01-01

    A fluorometric micro determination of aluminium (III) and cadmium (II) using the formation of metal-8-hydroxy-5-quinolinesulfonic acid-capriquat (methyltrioctylammonium) ternary complex is described. These complexes are easily extracted into chloroform phase and the extract emits a strong fluorescence. Spectra of aluminium (III) and cadmium (II) ternary complexes have the excitation maximum at 396 nm and 400 nm, and emission maximum at 501 nm and 524 nm, respectively. Fluorescence intensity of the aluminium (III) and cadmium (II) ternary complexes extracted into chloroform showed the constant and maximum values in the pH range of aqueous phase from 5.3 to 8.5 and 8.1 to 8.5, respectively. The calibration curves for aluminium (III) and cadmium (II) show good proportionality int the concentration range from 0.5 to 5.0 and 1.0 to 50.0 μg, respectively. The relative standard deviation observed with four measurements was found to be 1.8% for 0.5 μg of aluminium (III) and 1.1% for 10.0 μg of cadmium (II). The effect of diverse ions is studied and a 25-fold amount of Cu(II), Ni(II), Fe(II), Fe(III) in weight gave errors, however, the interferences were easily eliminated by the addition of appropriate masking agent. In the determination of cadmium (II), an equal amount of Co(II), Ni(II), Mn(II), Fe(III) and twice amount of Al(III) gave negative errors, however, the interference of Fe(III) and Al(III) were also eliminated as above. (author)

  13. Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches

    Czech Academy of Sciences Publication Activity Database

    Vícha, J.; Novotný, J.; Straka, Michal; Repisky, M.; Ruud, K.; Komorovsky, S.; Marek, R.

    2015-01-01

    Roč. 17, č. 38 (2015), s. 24944-24955 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA14-03564S Institutional support: RVO:61388963 Keywords : NMR chemical shifts * transition metal complexes * relativistic effects * method calibration Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.449, year: 2015 http://pubs.rsc.org/en/content/articlepdf/2015/cp/c5cp04214c

  14. Hazardous solvent substitution

    International Nuclear Information System (INIS)

    Twitchell, K.E.

    1995-01-01

    This article is an overview of efforts at INEL to reduce the generation of hazardous wastes through the elimination of hazardous solvents. To aid in their efforts, a number of databases have been developed and will become a part of an Integrated Solvent Substitution Data System. This latter data system will be accessible through Internet

  15. Features of dielectric response in PMN-PT ferroelectric ceramics

    International Nuclear Information System (INIS)

    Guerra, J D S; Araujo, E B; Guarany, C A; Reis, R N; Lima, E C

    2008-01-01

    In this paper, electrical and structural properties were reported for pyrochlore free (1 - x)[Pb(Mg 1/3 Nb 2/3 )O 3 ] - xPbTiO 3 (PMN-PT) (with 35 mol% PbTiO 3 ) ceramics obtained from fine powders. Dielectric studies were focused on the investigation of the complex dielectric permittivity (ε' - iε'') as a function of frequency and temperature. The effects of the dc applied electric field on dielectric response were also investigated. Results revealed a field dependence dielectric anomaly in the dielectric permittivity curves (ε(T)) in the low dc electric field region, which in turn prevails in the whole analysed frequency interval. To the best of our knowledge, these properties for the PMN-PT ceramic system have not been reported before as in this work. The results were analysed within the framework of the current models found in the literature.

  16. Super Dielectric Materials.

    Science.gov (United States)

    Fromille, Samuel; Phillips, Jonathan

    2014-12-22

    Evidence is provided here that a class of materials with dielectric constants greater than 10⁵ at low frequency (dielectric materials (SDM), can be generated readily from common, inexpensive materials. Specifically it is demonstrated that high surface area alumina powders, loaded to the incipient wetness point with a solution of boric acid dissolved in water, have dielectric constants, near 0 Hz, greater than 4 × 10⁸ in all cases, a remarkable increase over the best dielectric constants previously measured for energy storage capabilities, ca. 1 × 10⁴. It is postulated that any porous, electrically insulating material (e.g., high surface area powders of silica, titania, etc. ), filled with a liquid containing a high concentration of ionic species will potentially be an SDM. Capacitors created with the first generated SDM dielectrics (alumina with boric acid solution), herein called New Paradigm Super (NPS) capacitors display typical electrostatic capacitive behavior, such as increasing capacitance with decreasing thickness, and can be cycled, but are limited to a maximum effective operating voltage of about 0.8 V. A simple theory is presented: Water containing relatively high concentrations of dissolved ions saturates all, or virtually all, the pores (average diameter 500 Å) of the alumina. In an applied field the positive ionic species migrate to the cathode end, and the negative ions to the anode end of each drop. This creates giant dipoles with high charge, hence leading to high dielectric constant behavior. At about 0.8 V, water begins to break down, creating enough ionic species to "short" the individual water droplets. Potentially NPS capacitor stacks can surpass "supercapacitors" in volumetric energy density.

  17. Super Dielectric Materials

    Directory of Open Access Journals (Sweden)

    Samuel Fromille

    2014-12-01

    Full Text Available Evidence is provided here that a class of materials with dielectric constants greater than 105 at low frequency (<10−2 Hz, herein called super dielectric materials (SDM, can be generated readily from common, inexpensive materials. Specifically it is demonstrated that high surface area alumina powders, loaded to the incipient wetness point with a solution of boric acid dissolved in water, have dielectric constants, near 0 Hz, greater than 4 × 108 in all cases, a remarkable increase over the best dielectric constants previously measured for energy storage capabilities, ca. 1 × 104. It is postulated that any porous, electrically insulating material (e.g., high surface area powders of silica, titania, etc., filled with a liquid containing a high concentration of ionic species will potentially be an SDM. Capacitors created with the first generated SDM dielectrics (alumina with boric acid solution, herein called New Paradigm Super (NPS capacitors display typical electrostatic capacitive behavior, such as increasing capacitance with decreasing thickness, and can be cycled, but are limited to a maximum effective operating voltage of about 0.8 V. A simple theory is presented: Water containing relatively high concentrations of dissolved ions saturates all, or virtually all, the pores (average diameter 500 Å of the alumina. In an applied field the positive ionic species migrate to the cathode end, and the negative ions to the anode end of each drop. This creates giant dipoles with high charge, hence leading to high dielectric constant behavior. At about 0.8 V, water begins to break down, creating enough ionic species to “short” the individual water droplets. Potentially NPS capacitor stacks can surpass “supercapacitors” in volumetric energy density.

  18. Structure and tunneling dynamics in a model system of peptide co-solvents: Rotational spectroscopy of the 2,2,2-trifluoroethanol⋯water complex

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Javix; Xu, Yunjie, E-mail: yunjie.xu@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada)

    2014-06-21

    The hydrogen-bonding topology and tunneling dynamics of the binary adduct, 2,2,2-trifluoroethanol (TFE)⋯water, were investigated using chirped pulse and cavity based Fourier transform microwave spectroscopy with the aid of high level ab initio calculations. Rotational spectra of the most stable binary TFE⋯water conformer and five of its deuterium isotopologues were assigned. A strong preference for the insertion binding topology where water is inserted into the existing intramolecular hydrogen-bonded ring of TFE was observed. Tunneling splittings were detected in all of the measured rotational transitions of TFE⋯water. Based on the relative intensity of the two tunneling components and additional isotopic data, the splitting can be unambiguously attributed to the tunneling motion of the water subunit, i.e., the interchange of the bonded and nonbonded hydrogen atoms of water. The absence of any other splitting in the rotational transitions of all isotopologues observed indicates that the tunneling between g+ and g− TFE is quenched in the TFE⋯H{sub 2}O complex.

  19. Thermally switchable dielectrics

    Science.gov (United States)

    Dirk, Shawn M.; Johnson, Ross S.

    2013-04-30

    Precursor polymers to conjugated polymers, such as poly(phenylene vinylene), poly(poly(thiophene vinylene), poly(aniline vinylene), and poly(pyrrole vinylene), can be used as thermally switchable capacitor dielectrics that fail at a specific temperature due to the non-conjugated precursor polymer irreversibly switching from an insulator to the conjugated polymer, which serves as a bleed resistor. The precursor polymer is a good dielectric until it reaches a specific temperature determined by the stability of the leaving groups. Conjugation of the polymer backbone at high temperature effectively disables the capacitor, providing a `built-in` safety mechanism for electronic devices.

  20. On dielectric breakdown statistics

    International Nuclear Information System (INIS)

    Tuncer, Enis; James, D Randy; Sauers, Isidor; Ellis, Alvin R; Pace, Marshall O

    2006-01-01

    In this paper, we investigate the dielectric breakdown data of some insulating materials and focus on the applicability of the two- and three-parameter Weibull distributions. A new distribution function is also proposed. In order to assess the model distribution's trustworthiness, we employ the Monte Carlo technique and, randomly selecting data-subsets from the whole dielectric breakdown data, determine whether the selected probability functions accurately describe the breakdown data. The utility and strength of the proposed expression are illustrated distinctly by the numerical procedure. The proposed expression is shown to be a valuable alternative to the Weibull ones

  1. Activity coefficients of solutes in binary solvents

    International Nuclear Information System (INIS)

    Gokcen, N.A.

    1982-01-01

    The activity coefficients in dilute ternary systems are discussed in detail by using the Margules equations. Analyses of some relevant data at high temperatures show that the sparingly dissolved solutes in binary solvents follow complex behavior even when the binary solvents are very nearly ideal. It is shown that the activity data on the solute or the binary system cannot permit computation of the remaining activities except for the regular solutions. It is also shown that a fourth-order equation is usually adequate in expressing the activity coefficient of a solute in binary solvents at high temperatures. When the activity data for a binary solvent are difficult to obtain in a certain range of composition, the activity data for a sparingly dissolved solute can be used to supplement determination of the binary activities

  2. Studies on the structural, optical and dielectric properties of samarium coordinated with salicylic acid single crystal

    Science.gov (United States)

    Singh, Harjinder; Slathia, Goldy; Gupta, Rashmi; Bamzai, K. K.

    2018-04-01

    Samarium coordinated with salicylic acid was successfully grown as a single crystal by low temperature solution technique using mixed solvent of methanol and water in equal ratio. Structural characterization was carried out by single crystal X-ray diffraction analysis and it crystallizes in centrosymmetric space group P121/c1. FTIR and UV-Vis-NIR spectroscopy confirmed the compound formation and help to determine the mode of binding of the ligand to the rare earth-metal ion. Dielectric constant and dielectric loss have been measured over the frequency range 100 Hz - 30MHz. The decrease in dielectric constant with increases in frequency is due to the transition from interfacial polarization to dipolar polarization. The small value of dielectric constant at higher frequency ensures that the crystal is good candidate for NLO devices. Dielectric loss represents the resistive nature of the material.

  3. Solvent - solute interaction

    International Nuclear Information System (INIS)

    Urbanczyk, A.; Kalinowski, M.K.

    1983-01-01

    The electronic absorption spectrum of vanadyl acetylacetonate has been studied in 15 organic solvents. It has been found that wavenumbers and molar absorptivities of the long-wavelength bands (d-d transitions) can be well described by a complementary Lewis acid-base model including Gutmann's donor number [Gutmann V., Wychera E., Inorg. Nucl. Chem. Letters 2, 257 (1966)] and acceptor number [Mayer U., Gutmann V., Gerger W., Monatsh. Chem. 106, 1235 (1975)] of a solvent. This model describes also the solvent effect of the hyperfine splitting constant, Asub(iso)( 51 V), from e.s.r. spectra of VOacac 2 . These observations are discussed in terms of the donor-acceptor concept for solvent-solute interactions. (Author)

  4. Properties of the manganese(II) binding site in ternary complexes of Mnter dot ADP and Mnter dot ATP with chloroplast coupling factor 1: Magnetic field dependence of solvent sup 1 H and sup 2 H NMR relaxation rates

    Energy Technology Data Exchange (ETDEWEB)

    Haddy, A.E.; Frasch, W.D.; Sharp, R.R. (Univ. of Michigan, Ann Arbor (USA))

    1989-05-02

    The influence of the binding of ADP and ATP on the high-affinity Mn(II) binding site of chloroplast coupling factor 1 (CF{sub 1}) was studied by analysis of field-dependent solvent proton and deuteron spin-lattice relaxation data. In order to characterize metal-nucleotide complexes of CF{sub 1} under conditions similar to those of the NMR experiments, the enzyme was analyzed for bound nucleotides and Mn(II) after incubation with AdN and MnCl{sub 2} and removal of labile ligands by extensive gel filtration chromatography. In the field-dependent NMR experiments, the Mn(II) binding site of CF{sub 1} was studied for three mole ratios of added Mn(II) to CF{sub 1}, 0.5, 1.0, and 1.5, in the presence of an excess of either ADP or ATP. The results were extrapolated to zero Mn(II) concentration to characterize the environment of the first Mn(II) binding site of Cf{sub 1}. In the presence of both adenine nucleotides, pronounced changes in the Mn(II) environment relative to that in Mn(II)-CF{sub 1} were evident; the local relaxation rate maxima were more pronounced and shifted to higher field strengths, and the relaxation rate per bound Mn(II) increased at all field strengths. Analysis of the data revealed that the number of exchangeable water molecules liganded to bound Mn(II) increased from one in the binary Mn(II)-CF{sub 1} complex to three and two in the ternary Mn(II)-ADP-CF{sub 1} and Mn(II)-ATP-CF{sub 1} complexes, respectively; these results suggest that a water ligand to bound Mn(II) in the Mn(II)-ADP-CF{sub 1} complex is replaced by the {gamma}-phosphate of ATP in the Mn(II)-ATP-CF{sub 1} complex. A binding model is presented to account for these observations.

  5. Structure and performance of dielectric films based on self-assembled nanocrystals with a high dielectric constant.

    Science.gov (United States)

    Huang, Limin; Liu, Shuangyi; Van Tassell, Barry J; Liu, Xiaohua; Byro, Andrew; Zhang, Henan; Leland, Eli S; Akins, Daniel L; Steingart, Daniel A; Li, Jackie; O'Brien, Stephen

    2013-10-18

    Self-assembled films built from nanoparticles with a high dielectric constant are attractive as a foundation for new dielectric media with increased efficiency and range of operation, due to the ability to exploit nanofabrication techniques and emergent electrical properties originating from the nanoscale. However, because the building block is a discrete one-dimensional unit, it becomes a challenge to capture potential enhancements in dielectric performance in two or three dimensions, frequently due to surface effects or the presence of discontinuities. This is a recurring theme in nanoparticle film technology when applied to the realm of thin film semiconductor and device electronics. We present the use of chemically synthesized (Ba,Sr)TiO3 nanocrystals, and a novel deposition-polymerization technique, as a means to fabricate the dielectric layer. The effective dielectric constant of the film is tunable according to nanoparticle size, and effective film dielectric constants of up to 34 are enabled. Wide area and multilayer dielectrics of up to 8 cm(2) and 190 nF are reported, for which the building block is an 8 nm nanocrystal. We describe models for assessing dielectric performance, and distinct methods for improving the dielectric constant of a nanocrystal thin film. The approach relies on evaporatively driven assembly of perovskite nanocrystals with uniform size distributions in a tunable 7-30 nm size range, coupled with the use of low molecular weight monomer/polymer precursor chemistry that can infiltrate the porous nanocrystal thin film network post assembly. The intercrystal void space (low k dielectric volume fraction) is minimized, while simultaneously promoting intercrystal connectivity and maximizing volume fraction of the high k dielectric component. Furfuryl alcohol, which has good affinity to the surface of (Ba,Sr)TiO3 nanocrystals and miscibility with a range of solvents, is demonstrated to be ideal for the production of nanocomposites. The

  6. Solvent Effect on Redox Properties of Hexanethiolate Monolayer-Protected Gold Nanoclusters

    OpenAIRE

    Su, B; Zhang, M; Shao, Y; Girault, HH

    2006-01-01

    The capacitance of monolayer-protected gold nanoclusters (MPCs), CMPC, in solution has been theoretically reconsidered from an electrostatic viewpoint, in which an MPC is considered as an isolated charged sphere within two dielectric layers, the intrinsic coating monolayer, and the bulk solvent. The model predicts that the bulk solvent provides an important contribution to CMPC and influences the redox properties of MPCs. This theoretical prediction is then examined experimentally by comparin...

  7. The effect of macromolecular crowding on the electrostatic component of barnase-barstar binding: a computational, implicit solvent-based study.

    Directory of Open Access Journals (Sweden)

    Helena W Qi

    Full Text Available Macromolecular crowding within the cell can impact both protein folding and binding. Earlier models of cellular crowding focused on the excluded volume, entropic effect of crowding agents, which generally favors compact protein states. Recently, other effects of crowding have been explored, including enthalpically-related crowder-protein interactions and changes in solvation properties. In this work, we explore the effects of macromolecular crowding on the electrostatic desolvation and solvent-screened interaction components of protein-protein binding. Our simple model enables us to focus exclusively on the electrostatic effects of water depletion on protein binding due to crowding, providing us with the ability to systematically analyze and quantify these potentially intuitive effects. We use the barnase-barstar complex as a model system and randomly placed, uncharged spheres within implicit solvent to model crowding in an aqueous environment. On average, we find that the desolvation free energy penalties incurred by partners upon binding are lowered in a crowded environment and solvent-screened interactions are amplified. At a constant crowder density (fraction of total available volume occupied by crowders, this effect generally increases as the radius of model crowders decreases, but the strength and nature of this trend can depend on the water probe radius used to generate the molecular surface in the continuum model. In general, there is huge variation in desolvation penalties as a function of the random crowder positions. Results with explicit model crowders can be qualitatively similar to those using a lowered "effective" solvent dielectric to account for crowding, although the "best" effective dielectric constant will likely depend on multiple system properties. Taken together, this work systematically demonstrates, quantifies, and analyzes qualitative intuition-based insights into the effects of water depletion due to crowding on the

  8. Purex process solvent: literature review

    Energy Technology Data Exchange (ETDEWEB)

    Geier, R.G.

    1979-10-01

    This document summarizes the data on Purex process solvent presently published in a variety of sources. Extracts from these various sources are presented herein and contain the work done, the salient results obtained, and the original, unaltered conclusions of the author of each paper. Three major areas are addressed: solvent stability, solvent quality testing, and solvent treatment processes. 34 references, 44 tables.

  9. Purex process solvent: literature review

    International Nuclear Information System (INIS)

    Geier, R.G.

    1979-10-01

    This document summarizes the data on Purex process solvent presently published in a variety of sources. Extracts from these various sources are presented herein and contain the work done, the salient results obtained, and the original, unaltered conclusions of the author of each paper. Three major areas are addressed: solvent stability, solvent quality testing, and solvent treatment processes. 34 references, 44 tables

  10. Advanced dielectric continuum model of preferential solvation

    Science.gov (United States)

    Basilevsky, Mikhail; Odinokov, Alexey; Nikitina, Ekaterina; Grigoriev, Fedor; Petrov, Nikolai; Alfimov, Mikhail

    2009-01-01

    A continuum model for solvation effects in binary solvent mixtures is formulated in terms of the density functional theory. The presence of two variables, namely, the dimensionless solvent composition y and the dimensionless total solvent density z, is an essential feature of binary systems. Their coupling, hidden in the structure of the local dielectric permittivity function, is postulated at the phenomenological level. Local equilibrium conditions are derived by a variation in the free energy functional expressed in terms of the composition and density variables. They appear as a pair of coupled equations defining y and z as spatial distributions. We consider the simplest spherically symmetric case of the Born-type ion immersed in the benzene/dimethylsulfoxide (DMSO) solvent mixture. The profiles of y(R ) and z(R ) along the radius R, which measures the distance from the ion center, are found in molecular dynamics (MD) simulations. It is shown that for a given solute ion z(R ) does not depend significantly on the composition variable y. A simplified solution is then obtained by inserting z(R ), found in the MD simulation for the pure DMSO, in the single equation which defines y(R ). In this way composition dependences of the main solvation effects are investigated. The local density augmentation appears as a peak of z(R ) at the ion boundary. It is responsible for the fine solvation effects missing when the ordinary solvation theories, in which z =1, are applied. These phenomena, studied for negative ions, reproduce consistently the simulation results. For positive ions the simulation shows that z ≫1 (z =5-6 at the maximum of the z peak), which means that an extremely dense solvation shell is formed. In such a situation the continuum description fails to be valid within a consistent parametrization.

  11. Dielectric nanoresonators for light manipulation

    Science.gov (United States)

    Yang, Zhong-Jian; Jiang, Ruibin; Zhuo, Xiaolu; Xie, Ya-Ming; Wang, Jianfang; Lin, Hai-Qing

    2017-07-01

    Nanostructures made of dielectric materials with high or moderate refractive indexes can support strong electric and magnetic resonances in the optical region. They can therefore function as nanoresonators. In addition to plasmonic metal nanostructures that have been widely investigated, dielectric nanoresonators provide a new type of building blocks for realizing powerful and versatile nanoscale light manipulation. In contrast to plasmonic metal nanostructures, nanoresonators made of appropriate dielectric materials are low-cost, earth-abundant and have very small or even negligible light energy losses. As a result, they will find potential applications in a number of photonic devices, especially those that require low energy losses. In this review, we describe the recent progress on the experimental and theoretical studies of dielectric nanoresonators. We start from the basic theory of the electromagnetic responses of dielectric nanoresonators and their fabrication methods. The optical properties of individual dielectric nanoresonators are then elaborated, followed by the coupling behaviors between dielectric nanoresonators, between dielectric nanoresonators and substrates, and between dielectric nanoresonators and plasmonic metal nanostructures. The applications of dielectric nanoresonators are further described. Finally, the challenges and opportunities in this field are discussed.

  12. Center for dielectric studies

    Science.gov (United States)

    Cross, L. E.; Newnham, R. E.; Biggers, J. V.

    1984-05-01

    This report focuses upon the parts of the Center program which have drawn most extensively upon Navy funds. In the basic study of polarization processes in high K dielectrics, major progress has been made in understanding the mechanisms in relaxor ferroelectric in the perovskite structure families. A new effort is also being mounted to obtain more precise evaluation of the internal stress effects in fine grained barium titanate. Related to reliability, studies of the effects of induced macro-defects are described, and preparation for the evaluation of space charge by internal potential distribution measurements discussed. To develop new processing methods for very thin dielectric layers, a new type of single barrier layer multilayer is discussed, and work on the thermal evaporation of oriented crystalline antimony sulphur iodide describe.

  13. Dielectric Wakefield Researches

    International Nuclear Information System (INIS)

    Kiselev, V.A.; Linnik, A.F.; Onishchenko, N.I.; Uskov, V.V.; Marshall, T.C.

    2006-01-01

    Excitation of wakefield in cylindrical dielectric waveguide/resonator by a sequence of relativistic electron bunches was investigated using an electron linac 'Almaz-2' (4.5 MeV, 6·10 3 bunches of duration 60 ps and charge 0.32 nC each). Energy spectrum of electrons, radial topography and longitudinal distribution of wakefield, and total energy of excited wakefield were measured by means of magnetic analyzer, high frequency probe, and a sensitive calorimeter

  14. Separation by solvent extraction

    International Nuclear Information System (INIS)

    Holt, C.H. Jr.

    1976-01-01

    In a process for separating fission product values from U and Pu values contained in an aqueous solution, an oxidizing agent is added to the solution to secure U and Pu in their hexavalent state. The aqueous solution is contacted with a substantially water-immiscible organic solvent with agitation while the temperature is maintained at from -1 to -2 0 C until the major part of the water present is frozen. The solid ice phase is continuously separated as it is formed and a remaining aqueous liquid phase containing fission product values and a solvent phase containing Pu and U values are separated from each other. The last obtained part of the ice phase is melted and added to the separated liquid phase. The resulting liquid is treated with a new supply of solvent whereby it is practically depleted of U and Pu

  15. Dielectric lattice gauge theory

    International Nuclear Information System (INIS)

    Mack, G.

    1983-06-01

    Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)epsilong that are attached to the links b = (x+esub(μ),x) of the lattice and take their values in the linear space g which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)osub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportionalosub(i)osub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson loop expectation values show an area law decay, if the Euclidean action has certain qualitative features which imply that PHI = 0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)

  16. Dielectric lattice gauge theory

    International Nuclear Information System (INIS)

    Mack, G.

    1984-01-01

    Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)element ofG that are attached to the links b = (x+esub(μ), x) of the lattice and take their values in the linear space G which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)sigmasub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportional sigmasub(i)sigmasub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder-Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson-loop expectation values show an area law decay, if the euclidean action has certain qualitative features which imply that PHI=0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)

  17. Investigation of the system aluminum soap-hydrocarbon by the dielectric method

    Energy Technology Data Exchange (ETDEWEB)

    Lozovaya, V.I.; Dagaev, V.A.; Mankovskaya, N.K.

    The plots of the dielectric parameters (epsilon, tg delta) vs. temperature, obtained during heating of aluminum disoap suspensions in organic solvents, show 2 maxima. The first is associated with the gelation process in the system, and the second with the transition of the colloidal solution into a true one. (11 refs.)

  18. A Simple Generator of Forward Scattering Functions on Spherical Dielectrics

    Directory of Open Access Journals (Sweden)

    O. Fiser

    1993-04-01

    Full Text Available The described program generates the forward scattering functions of dielectrics of spherical shape, while the input parameters are: frequency, radius of the sphere and complex refractive index. The part enabling to evaluate the complex refractive index of water in the dependence on frequency and temperature is added.

  19. The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens

    2013-01-01

    ). The proton hyperfine constants predicted for the chrysazin semiquinone radical anion were highly sensitive to the assumed dielectric constant ε of the solvent continuum, inverting the relative magnitudes of the hyperfine constants and thereby leading to agreement with the observed data published by Stegmann...

  20. Dielectric Screening Meets Optimally Tuned Density Functionals.

    Science.gov (United States)

    Kronik, Leeor; Kümmel, Stephan

    2018-04-17

    A short overview of recent attempts at merging two independently developed methods is presented. These are the optimal tuning of a range-separated hybrid (OT-RSH) functional, developed to provide an accurate first-principles description of the electronic structure and optical properties of gas-phase molecules, and the polarizable continuum model (PCM), developed to provide an approximate but computationally tractable description of a solvent in terms of an effective dielectric medium. After a brief overview of the OT-RSH approach, its combination with the PCM as a potentially accurate yet low-cost approach to the study of molecular assemblies and solids, particularly in the context of photocatalysis and photovoltaics, is discussed. First, solvated molecules are considered, with an emphasis on the challenge of balancing eigenvalue and total energy trends. Then, it is shown that the same merging of methods can also be used to study the electronic and optical properties of molecular solids, with a similar discussion of the pros and cons. Tuning of the effective scalar dielectric constant as one recent approach that mitigates some of the difficulties in merging the two approaches is considered. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Shenggao, E-mail: sgzhou@suda.edu.cn, E-mail: bli@math.ucsd.edu [Department of Mathematics and Mathematical Center for Interdiscipline Research, Soochow University, 1 Shizi Street, Jiangsu, Suzhou 215006 (China); Sun, Hui; Cheng, Li-Tien [Department of Mathematics, University of California, San Diego, La Jolla, California 92093-0112 (United States); Dzubiella, Joachim [Soft Matter and Functional Materials, Helmholtz-Zentrum Berlin, 14109 Berlin, Germany and Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Li, Bo, E-mail: sgzhou@suda.edu.cn, E-mail: bli@math.ucsd.edu [Department of Mathematics and Quantitative Biology Graduate Program, University of California, San Diego, La Jolla, California 92093-0112 (United States); McCammon, J. Andrew [Department of Chemistry and Biochemistry, Department of Pharmacology, Howard Hughes Medical Institute, University of California, San Diego, La Jolla, California 92093-0365 (United States)

    2016-08-07

    Recent years have seen the initial success of a variational implicit-solvent model (VISM), implemented with a robust level-set method, in capturing efficiently different hydration states and providing quantitatively good estimation of solvation free energies of biomolecules. The level-set minimization of the VISM solvation free-energy functional of all possible solute-solvent interfaces or dielectric boundaries predicts an equilibrium biomolecular conformation that is often close to an initial guess. In this work, we develop a theory in the form of Langevin geometrical flow to incorporate solute-solvent interfacial fluctuations into the VISM. Such fluctuations are crucial to biomolecular conformational changes and binding process. We also develop a stochastic level-set method to numerically implement such a theory. We describe the interfacial fluctuation through the “normal velocity” that is the solute-solvent interfacial force, derive the corresponding stochastic level-set equation in the sense of Stratonovich so that the surface representation is independent of the choice of implicit function, and develop numerical techniques for solving such an equation and processing the numerical data. We apply our computational method to study the dewetting transition in the system of two hydrophobic plates and a hydrophobic cavity of a synthetic host molecule cucurbit[7]uril. Numerical simulations demonstrate that our approach can describe an underlying system jumping out of a local minimum of the free-energy functional and can capture dewetting transitions of hydrophobic systems. In the case of two hydrophobic plates, we find that the wavelength of interfacial fluctuations has a strong influence to the dewetting transition. In addition, we find that the estimated energy barrier of the dewetting transition scales quadratically with the inter-plate distance, agreeing well with existing studies of molecular dynamics simulations. Our work is a first step toward the

  2. Dielectric relaxation of selenium-tellurium mixed former glasses

    Science.gov (United States)

    Palui, A.; Ghosh, A.

    2017-05-01

    We report the study of dielectric properties of mixed network former glasses of composition 0.3Ag2O-0.7(xSeO2-(1-x)TeO2); x=0, 0.1, 0.3, 0.4, 0.5 and 0.6 in a wide frequency 10 Hz - 2 MHz and temperature range 223 K - 403 K. The experimental data have been analyzed in the framework of complex dielectric permittivity. The dielectric permittivity data have been analyzed using the Cole-Cole function. The inverse temperature dependence of relaxation time obtained from real part of dielectric permittivity data follows the Arrhenius relation. The activation energy shows mixed glass former effect with variation of mixed former ratio. A non-zero value of shape parameters is observed and it is almost independent of temperature and composition.

  3. Dielectric Spectroscopy of Biomolecules up to 110 GHz

    Science.gov (United States)

    Laux, Eva-Maria; Ermilova, Elena; Pannwitz, Daniel; Gibbons, Jessica; Hölzel, Ralph; Bier, Frank F.

    2018-03-01

    Radio-frequency fields in the GHz range are increasingly applied in biotechnology and medicine. In order to fully exploit both their potential and their risks detailed information about the dielectric properties of biological material is needed. For this purpose a measuring system is presented that allows the acquisition of complex dielectric spectra over 4 frequency decade up to 110 GHz. Routines for calibration and for data evaluation according to physicochemical interaction models have been developed. The frequency dependent permittivity and dielectric loss of some proteins and nucleic acids, the main classes of biomolecules, and of their sub-units have been determined. Dielectric spectra are presented for the amino acid alanine, the proteins lysozyme and haemoglobin, the nucleotides AMP and ATP, and for the plasmid pET-21, which has been produced by bacterial culture. Characterisation of a variety of biomolecules is envisaged, as is the application to studies on protein structure and function.

  4. Low dielectric constant-based organic field-effect transistors and metal-insulator-semiconductor capacitors

    Science.gov (United States)

    Ukah, Ndubuisi Benjamin

    This thesis describes a study of PFB and pentacene-based organic field-effect transistors (OFET) and metal-insulator-semiconductor (MIS) capacitors with low dielectric constant (k) poly(methyl methacrylate) (PMMA), poly(4-vinyl phenol) (PVP) and cross-linked PVP (c-PVP) gate dielectrics. A physical method -- matrix assisted pulsed laser evaporation (MAPLE) -- of fabricating all-polymer field-effect transistors and MIS capacitors that circumvents inherent polymer dissolution and solvent-selectivity problems, is demonstrated. Pentacene-based OFETs incorporating PMMA and PVP gate dielectrics usually have high operating voltages related to the thickness of the dielectric layer. Reduced PMMA layer thickness (≤ 70 nm) was obtained by dissolving the PMMA in propylene carbonate (PC). The resulting pentacene-based transistors exhibited very low operating voltage (below -3 V), minimal hysteresis in their transfer characteristics, and decent electrical performance. Also low voltage (within -2 V) operation using thin (≤ 80 nm) low-k and hydrophilic PVP and c-PVP dielectric layers obtained via dissolution in high dipole moment and high-k solvents -- PC and dimethyl sulfoxide (DMSO), is demonstrated to be a robust means of achieving improved electrical characteristics and high operational stability in OFETs incorporating PVP and c-PVP dielectrics.

  5. Dielectric properties of lunar surface

    Science.gov (United States)

    Yushkova, O. V.; Kibardina, I. N.

    2017-03-01

    Measurements of the dielectric characteristics of lunar soil samples are analyzed in the context of dielectric theory. It has been shown that the real component of the dielectric permittivity and the loss tangent of rocks greatly depend on the frequency of the interacting electromagnetic field and the soil temperature. It follows from the analysis that one should take into account diurnal variations in the lunar surface temperature when interpreting the radar-sounding results, especially for the gigahertz radio range.

  6. Organic solvent topical report

    Energy Technology Data Exchange (ETDEWEB)

    COWLEY, W.L.

    1999-05-13

    This report provides the basis for closing the organic solvent safety issue. Sufficient information is presented to conclude that risk posed by an organic solvent fire is within risk evaluation guidelines. This report updates information contained in Analysis of Consequences of Postulated Solvent Fires in Hanford Site Waste Tanks. WHC-SD-WM-CN-032. Rev. 0A (Cowley et al. 1996). However, this document will not replace Cowley et al (1996) as the primary reference for the Basis for Interim Operation (BIO) until the recently submitted BIO amendment (Hanson 1999) is approved by the US Department of Energy. This conclusion depends on the use of controls for preventing vehicle fuel fires and for limiting the use of flame cutting in areas where hot metal can fall on the waste surface.The required controls are given in the Tank Waste Remediation System Technical Safety Requirements (Noorani 1997b). This is a significant change from the conclusions presented in Revision 0 of this report. Revision 0 of this calcnote concluded that some organic solvent fire scenarios exceeded risk evaluation guidelines, even with controls imposed.

  7. Organic solvent topical report

    Energy Technology Data Exchange (ETDEWEB)

    Cowley, W.L.

    1998-04-30

    This report is the technical basis for the accident and consequence analyses used in the Hanford Tank Farms Basis for Interim Operation. The report also contains the scientific and engineering information and reference material needed to understand the organic solvent safety issue. This report includes comments received from the Chemical Reactions Subcommittee of the Tank Advisory Panel.

  8. Organic solvent topical report

    International Nuclear Information System (INIS)

    COWLEY, W.L.

    1999-01-01

    This report provides the basis for closing the organic solvent safety issue. Sufficient information is presented to conclude that risk posed by an organic solvent fire is within risk evaluation guidelines. This report updates information contained in Analysis of Consequences of Postulated Solvent Fires in Hanford Site Waste Tanks. WHC-SD-WM-CN-032. Rev. 0A (Cowley et al. 1996). However, this document will not replace Cowley et al (1996) as the primary reference for the Basis for Interim Operation (BIO) until the recently submitted BIO amendment (Hanson 1999) is approved by the US Department of Energy. This conclusion depends on the use of controls for preventing vehicle fuel fires and for limiting the use of flame cutting in areas where hot metal can fall on the waste surface.The required controls are given in the Tank Waste Remediation System Technical Safety Requirements (Noorani 1997b). This is a significant change from the conclusions presented in Revision 0 of this report. Revision 0 of this calcnote concluded that some organic solvent fire scenarios exceeded risk evaluation guidelines, even with controls imposed

  9. Organic solvent topical report

    International Nuclear Information System (INIS)

    Cowley, W.L.

    1998-01-01

    This report is the technical basis for the accident and consequence analyses used in the Hanford Tank Farms Basis for Interim Operation. The report also contains the scientific and engineering information and reference material needed to understand the organic solvent safety issue. This report includes comments received from the Chemical Reactions Subcommittee of the Tank Advisory Panel

  10. DESIGNING GREENER SOLVENTS

    Science.gov (United States)

    Computer-aided design of chemicals and chemical mixtures provides a powerful tool to help engineers identify cleaner process designs and more-benign alternatives to toxic industrial solvents. Three software programs are discussed: (1) PARIS II (Program for Assisting the Replaceme...

  11. Computing pKa Values in Different Solvents by Electrostatic Transformation.

    Science.gov (United States)

    Rossini, Emanuele; Netz, Roland R; Knapp, Ernst-Walter

    2016-07-12

    We introduce a method that requires only moderate computational effort to compute pKa values of small molecules in different solvents with an average accuracy of better than 0.7 pH units. With a known pKa value in one solvent, the electrostatic transform method computes the pKa value in any other solvent if the proton solvation energy is known in both considered solvents. To apply the electrostatic transform method to a molecule, the electrostatic solvation energies of the protonated and deprotonated molecular species are computed in the two considered solvents using a dielectric continuum to describe the solvent. This is demonstrated for 30 molecules belonging to 10 different molecular families by considering 77 measured pKa values in 4 different solvents: water, acetonitrile, dimethyl sulfoxide, and methanol. The electrostatic transform method can be applied to any other solvent if the proton solvation energy is known. It is exclusively based on physicochemical principles, not using any empirical fetch factors or explicit solvent molecules, to obtain agreement with measured pKa values and is therefore ready to be generalized to other solute molecules and solvents. From the computed pKa values, we obtained relative proton solvation energies, which agree very well with the proton solvation energies computed recently by ab initio methods, and used these energies in the present study.

  12. Organic solvents improve hydrocarbon desorption and biodegradation in highly contaminated weathered soils

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Rivero, M. [Tecnologico de Estudios Superiores de Ecatepec, Mexico City (Mexico); Saucedo-Casteneda, G.; Gutierrez-Rojas, M. [Autonoma Metropolitan Univ., Mexico City (Mexico). Dept. of Biotechnology

    2007-07-15

    A toluene-based microbial slurry phase system was used to remediate hydrocarbons (HC) in highly contaminated soil samples collected from a site next to a working refinery in Mexico. Initial HC concentrations of the samples were 237.2 {+-} 16,6 g kg{sup -1} in dry soil. The microbial consortium consisted of 10 different strains in a mineral solution. Non-polar solvents used in the phase system included hexane, benzene, and toluene. Polar solvents included n-butanol, acetone, and methanol. The bioavailability of the HCs was increased using both polar and nonpolar solvents in order to promote desorption from the soil and to enhance overall HC biodegradation. HC desorption was analyzed in an abiotic system. Respiration and residual HCs were examined after a period of 30 days in order to compare the effects of the 2 solvents. The biodegradation extracts were then fractionated in a silica gel column to determine if the solvents actually enhanced the biodegradation of specific HC fractions. The study showed that induced dipole interactions forces resulted when nonpolar molecules were dissolved into a nonpolar solvent. Results for desorption and solubility varied among the 6 solvents. Higher dielectric constants resulted in higher solubility and desorption of HCs for nonpolar solvents, while the opposite effect was observed for polar solvents. It was concluded that toluene produced better biodegradation results than any of the milder solvents. 34 refs., 4 tabs., 1 fig.

  13. Solvent effect on Rb+ to K+ ion mutation: Monte Carlo simulation study

    International Nuclear Information System (INIS)

    Kim, Hag Sung

    2000-01-01

    The solvent effects on the relative free energies of solvation and the difference in partition coefficients (log P) for Rb + to K + mutation in several solvents have been investigated using Monte Carlo simulation (MCS) of statistical perturbation theory (SPT). In comparing the relative free energies for interconversion of one ion pair, Rb + to K + , in H 2 O (TIP4P) in this study with the relative free energies of the computer simulations and the experimental, we found that the figure in this study is -5.00 ± 0.11 kcal/mol. There is good agreement among various studies, taking into account both methods used to obtain the hydration free energies and standard deviations. There is also good agreement between the calculated structural properties of this study and the simulations, ab initio and the experimental results. We have explained the deviation of the relationship between the free energy difference and the Onsager dielectric function of solvents by the electron pair donor properties of the solvents. For the Rb + and K + ion pair, the Onsager dielectric function of solvents (or solvent permittivity), donor number of solvent and the differences in solvation dominate the differences in the relative free energies of solvation and partition coefficients

  14. Solvent effect on redox properties of hexanethiolate monolayer-protected gold nanoclusters.

    Science.gov (United States)

    Su, Bin; Zhang, Meiqin; Shao, Yuanhua; Girault, Hubert H

    2006-11-02

    The capacitance of monolayer-protected gold nanoclusters (MPCs), C(MPC), in solution has been theoretically reconsidered from an electrostatic viewpoint, in which an MPC is considered as an isolated charged sphere within two dielectric layers, the intrinsic coating monolayer, and the bulk solvent. The model predicts that the bulk solvent provides an important contribution to C(MPC) and influences the redox properties of MPCs. This theoretical prediction is then examined experimentally by comparing the redox properties of MPCs in four organic solvents: 1,2-dichloroethane (DCE), dichloromethane (DCM), chlorobenzene (CB), and toluene (TOL), in all of which MPCs have excellent solubility. Furthermore, this set of organic solvents features a dielectric constant in a range from 10.37 (DCE) to 2.38 (TOL), which is wide enough to probe the solvent effect. In these organic solvents, tetrahexylammonium bis(trifluoromethylsulfonyl)imide (THATf2N) is used as the supporting electrolyte. Cyclic and differential pulse voltammetric results provide concrete evidence that, despite the monolayer protection, the solvent plays a significant effect on the properties of MPCs in solution.

  15. The effect of various solvents on the back channel of solution-processed In-Ga-Zn-O thin-film transistors intended for biosensor applications

    International Nuclear Information System (INIS)

    Kim, Si Joon; Jung, Joohye; Yoon, Doo Hyun; Kim, Hyun Jae

    2013-01-01

    This study investigated the effects of exposing solution-processed In-Ga-Zn-O (IGZO) thin-film transistors (TFTs), intended for biosensor applications, to various solvents. Various solvents, such as the nonpolar solvent chlorobenzene and the polar solvents ethanol and deionized (DI) water, were dropped and adsorbed on exposed IGZO channel surfaces. All IGZO TFT devices exhibited a negative threshold voltage shift and a sub-threshold swing degradation, without an accompanying degradation in field-effect mobility. These variations depended on the dielectric constant of the solvents; with the exception of the IGZO TFT device exposed to DI water, they all gradually returned to their initial states.

  16. Boron nitride as two dimensional dielectric: Reliability and dielectric breakdown

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Yanfeng; Pan, Chengbin; Hui, Fei; Shi, Yuanyuan; Lanza, Mario, E-mail: mlanza@suda.edu.cn [Institute of Functional Nano and Soft Materials, Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, 199 Ren-Ai Road, Suzhou 215123 (China); Zhang, Meiyun; Long, Shibing [Key Laboratory of Microelectronics Devices & Integrated Technology, Institute of Microelectronics, Chinese Academy of Sciences, Beijing 100029 (China); Lian, Xiaojuan; Miao, Feng [National Laboratory of Solid State Microstructures, School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China); Larcher, Luca [DISMI, Università di Modena e Reggio Emilia, 42122 Reggio Emilia (Italy); Wu, Ernest [IBM Research Division, Essex Junction, Vermont 05452 (United States)

    2016-01-04

    Boron Nitride (BN) is a two dimensional insulator with excellent chemical, thermal, mechanical, and optical properties, which make it especially attractive for logic device applications. Nevertheless, its insulating properties and reliability as a dielectric material have never been analyzed in-depth. Here, we present the first thorough characterization of BN as dielectric film using nanoscale and device level experiments complementing with theoretical study. Our results reveal that BN is extremely stable against voltage stress, and it does not show the reliability problems related to conventional dielectrics like HfO{sub 2}, such as charge trapping and detrapping, stress induced leakage current, and untimely dielectric breakdown. Moreover, we observe a unique layer-by-layer dielectric breakdown, both at the nanoscale and device level. These findings may be of interest for many materials scientists and could open a new pathway towards two dimensional logic device applications.

  17. Dielectric Properties Of Nanoferrites

    International Nuclear Information System (INIS)

    Jankov, Stevan B.; Cvejic, Zeljka N.; Rakic, Srdjan; Srdic, Vladimir

    2007-01-01

    Dielectric properties: permittivity, loss factor, tan delta and ionic conductivity of nanostructured ferrites have been measured. Samples used were nickel, zinc and yttrium doped ferrites mixed in various ratios. The synthesis has been performed using precipitation method and obtained powders were pressed in pellets under varying pressure. X-ray diffractography approach for the refinement of structure and microstructural analysis has been performed. All parameters have been measured in 1 Hz to 100 kHz frequency range and 30 deg. C to 80 deg. C temperature range. Significant improvements in permittivity, loss factor and ionic conductivity comparing to bulk samples have been observed

  18. Dielectric materials and electrostatics

    CERN Document Server

    Gallot-Lavalle, Olivier

    2013-01-01

    An introduction to the physics of electrical insulation, this book presents the physical foundations of this discipline and the resulting applications. It is structured in two parts. The first part presents a mathematical and intuitive approach to dielectrics; various concepts, including polarization, induction, forces and losses are discussed. The second part provides readers with the keys to understanding the physics of solid, liquid and gas insulation. It comprises a phenomenological description of discharges in gas and its resulting applications. Finally, the main electrical properties

  19. Phospholipid electrospun nanofibers: effect of solvents and co-axial processing on morphology and fiber diameter

    DEFF Research Database (Denmark)

    Jørgensen, Lars; Qvortrup, Klaus; Chronakis, Ioannis S.

    2015-01-01

    Asolectin phospholipid nano-microfibers were prepared using electrospinning processing. The asolectin fibers were studied by scanning electron microscopy, and the fiber morphology was found to be strongly dependent on the phospholipid concentration and the solvents used. The solvents studied were...... chloroform : dimethylformamide (CHCl3 : DMF, 3 : 2 v/v), isooctane, cyclohexane and limonene, producing phospholipid fibers with average diameters in the range of 2.57 +/- 0.59 mu m, similar to 3-8 mu m, similar to 4-5 mu m and 14.3 +/- 2.7 mu m, respectively. The diameter of asolectin electrospun fibers...... solvent and the inner needle contains the asolectin solution in CHCl3: DMF, a substantial reduction in the average fiber diameter was observed. In particular, the average diameter of the fibers when DMF (a solvent with a high dielectric constant) was used as a sheath solvent was reduced by a factor...

  20. Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts

    Directory of Open Access Journals (Sweden)

    Christian Holm

    2013-10-01

    Full Text Available Coarse-grained models of soft matter are usually combined with implicit solvent models that take the electrostatic polarizability into account via a dielectric background. In biophysical or nanoscale simulations that include water, this constant can vary greatly within the system. Performing molecular dynamics or other simulations that need to compute exact electrostatic interactions between charges in those systems is computationally demanding. We review here several algorithms developed by us that perform exactly this task. For planar dielectric surfaces in partial periodic boundary conditions, the arising image charges can be either treated with the MMM2D algorithm in a very efficient and accurate way or with the electrostatic layer correction term, which enables the user to use his favorite 3D periodic Coulomb solver. Arbitrarily-shaped interfaces can be dealt with using induced surface charges with the induced charge calculation (ICC* algorithm. Finally, the local electrostatics algorithm, MEMD(Maxwell Equations Molecular Dynamics, even allows one to employ a smoothly varying dielectric constant in the systems. We introduce the concepts of these three algorithms and an extension for the inclusion of boundaries that are to be held fixed at a constant potential (metal conditions. For each method, we present a showcase application to highlight the importance of dielectric interfaces.

  1. Discharge ignition near a dielectric

    NARCIS (Netherlands)

    Sobota, A.; Veldhuizen, van E.M.; Stoffels, W.W.

    2008-01-01

    Electrical breakdown in noble gas near a dielectric is an important issue in lighting industry. In order to investigate the influence of the dielectric on the ignition process, we perform measurements in argon, with pressure varying from 0.1 to 1 bar, using a pin–pin electrode geometry. Here, we

  2. Numerical differentiation methods for the logarithmic derivative technique used in dielectric spectroscopy

    Directory of Open Access Journals (Sweden)

    Henrik Haspel

    2010-06-01

    Full Text Available In dielectric relaxation spectroscopy the conduction contribution often hampers the evaluation of dielectric spectra, especially in the low-frequency regime. In order to overcome this the logarithmic derivative technique could be used, where the calculation of the logarithmic derivative of the real part of the complex permittivity function is needed. Since broadband dielectric measurement provides discrete permittivity function, numerical differentiation has to be used. Applicability of the Savitzky-Golay convolution method in the derivative analysis is examined, and a detailed investigation of the influential parameters (frequency, spectrum resolution, peak shape is presented on synthetic dielectric data.

  3. Structural, dielectric and AC conductivity study of Sb2O3 thin film ...

    Indian Academy of Sciences (India)

    52

    However, to date, no reports have appeared on impedance spectroscopy, modulus behavior, electrical conductivity, dielectric relaxation and dielectric properties of crystalline Sb2O3 thin films. This paper deals for the first time with the frequency and temperature dependence of AC conductivity and complex electric modulus ...

  4. Solvent selection methodology for pharmaceutical processes: Solvent swap

    DEFF Research Database (Denmark)

    Papadakis, Emmanouil; Kumar Tula, Anjan; Gani, Rafiqul

    2016-01-01

    A method for the selection of appropriate solvents for the solvent swap task in pharmaceutical processes has been developed. This solvent swap method is based on the solvent selection method of Gani et al. (2006) and considers additional selection criteria such as boiling point difference...... in pharmaceutical processes as well as new solvent swap alternatives. The method takes into account process considerations such as batch distillation and crystallization to achieve the swap task. Rigorous model based simulations of the swap operation are performed to evaluate and compare the performance...

  5. Generalized dielectric permittivity tensor

    International Nuclear Information System (INIS)

    Borzdov, G.N.; Barkovskii, L.M.; Fedorov, F.I.

    1986-01-01

    The authors deal with the question of what is to be done with the formalism of the electrodynamics of dispersive media based on the introduction of dielectric-permittivity tensors for purely harmonic fields when Voigt waves and waves of more general form exist. An attempt is made to broaden and generalize the formalism to take into account dispersion of waves of the given type. In dispersive media, the polarization, magnetization, and conduction current-density vectors of point and time are determined by the values of the electromagnetic field vectors in the vicinity of this point (spatial dispersion) in the preceding instants of time (time dispersion). The dielectric-permittivity tensor and other tensors of electrodynamic parameters of the medium are introduced in terms of a set of evolution operators and not the set of harmonic function. It is noted that a magnetic-permeability tensor and an elastic-modulus tensor may be introduced for an acoustic field in dispersive anisotropic media with coupling equations of general form

  6. Improvements in solvent extraction columns

    International Nuclear Information System (INIS)

    Aughwane, K.R.

    1987-01-01

    Solvent extraction columns are used in the reprocessing of irradiated nuclear fuel. For an effective reprocessing operation a solvent extraction column is required which is capable of distributing the feed over most of the column. The patent describes improvements in solvent extractions columns which allows the feed to be distributed over an increased length of column than was previously possible. (U.K.)

  7. Conformation transitions of blood proteins under influence of physical factors on microwave dielectric method

    International Nuclear Information System (INIS)

    Gorobchenko, O.A.; Nikolov, O.T.; Gatash, S.V.

    2006-01-01

    In this article, the influence of γ-irradiation and temperature on albumin and fibrinogen conformation and dielectric properties of protein solutions have been studied by the microwave dielectric method. Both the values of the real part ε' (dielectric permittivity) and the imaginary part ε'' (dielectric losses) of the complex dielectric permittivity of the aqueous solution of bovine serum albumin and human fibrinogen as functions of temperature and γ-irradiation dose have been obtained. The time of dielectric relaxation of water molecules in the protein solutions was calculated. The hydration of the albumin and fibrinogen molecules was determined. The temperature dependencies of hydration are non-monotonous and have a number of characteristic features at the temperatures 30-34 and 44-47 deg. C for serum albumin, and 24 and 32 deg. C for fibrinogen

  8. Dielectric Actuation of Polymers

    Science.gov (United States)

    Niu, Xiaofan

    Dielectric polymers are widely used in a plurality of applications, such as electrical insulation, dielectric capacitors, and electromechanical actuators. Dielectric polymers with large strain deformations under an electric field are named dielectric elastomers (DE), because of their relative low modulus, high elongation at break, and outstanding resilience. Dielectric elastomer actuators (DEA) are superior to traditional transducers as a muscle-like technology: large strains, high energy densities, high coupling efficiency, quiet operation, and light weight. One focus of this dissertation is on the design of DE materials with high performance and easy processing. UV radiation curing of reactive species is studied as a generic synthesis methodology to provide a platform for material scientists to customize their own DE materials. Oligomers/monomers, crosslinkers, and other additives are mixed and cured at appropriate ratios to control the stress-strain response, suppress electromechanical instability of the resulting polymers, and provide stable actuation strains larger than 100% and energy densities higher than 1 J/g. The processing is largely simplified in the new material system by removal of the prestretching step. Multilayer stack actuators with 11% linear strain are demonstrated in a procedure fully compatible with industrial production. A multifunctional DE derivative material, bistable electroactive polymer (BSEP), is invented enabling repeatable rigid-to-rigid deformation without bulky external structures. Bistable actuation allows the polymer actuator to have two distinct states that can support external load without device failure. Plasticizers are used to lower the glass transition temperature to 45 °C. Interpenetrating polymer network structure is established inside the BSEP to suppress electromechanical instability, providing a breakdown field of 194 MV/m and a stable bistable strain as large as 228% with a 97% strain fixity. The application of BSEP

  9. Solvent extraction columns

    International Nuclear Information System (INIS)

    Middleton, P.; Smith, J.R.

    1979-01-01

    In pulsed columns for use in solvent extraction processes, e.g. the reprocessing of nuclear fuel, the horizontal perforated plates inside the column are separated by interplate spacers manufactured from metallic neutron absorbing material. The spacer may be in the form of a spiral or concentric circles separated by radial limbs, or may be of egg-box construction. Suitable neutron absorbing materials include stainless steel containing boron or gadolinium, hafnium metal or alloys of hafnium. (UK)

  10. Hysteresis behaviour of low-voltage organic field-effect transistors employing high dielectric constant polymer gate dielectrics

    International Nuclear Information System (INIS)

    Kim, Se Hyun; Yun, Won Min; Kwon, Oh-Kwan; Hong, Kipyo; Yang, Chanwoo; Park, Chan Eon; Choi, Woon-Seop

    2010-01-01

    Here, we report on the fabrication of low-voltage-operating pentacene-based organic field-effect transistors (OFETs) that utilize crosslinked cyanoethylated poly(vinyl alcohol) (CR-V) gate dielectrics. The crosslinked CR-V-based OFET could be operated successfully at low voltages (below 4 V), but abnormal behaviour during device operation, such as uncertainty in the field-effect mobility (μ) and hysteresis, was induced by the slow polarization of moieties embedded in the gate dielectric (e.g. polar functionalities, ionic impurities, water and solvent molecules). In an effort to improve the stability of OFET operation, we measured the dependence of μ and hysteresis on dielectric thickness, CR-V crosslinking conditions and sweep rate of the gate bias. The influence of the CR-V surface properties on μ, hysteresis, and the structural and morphological features of the pentacene layer grown on the gate dielectric was characterized and compared with the properties of pentacene grown on a polystyrene surface.

  11. Hazardous solvent substitution

    International Nuclear Information System (INIS)

    Twitchell, K.E.

    1995-01-01

    Eliminating hazardous solvents is good for the environment, worker safety, and the bottom line. However, even though we are motivated to find replacements, the big question is 'What can we use as replacements for hazardous solvents?'You, too, can find replacements for your hazardous solvents. All you have to do is search for them. Search through the vendor literature of hundreds of companies with thousands of products. Ponder the associated material safety data sheets, assuming of course that you can obtain them and, having obtained them, that you can read them. You will want to search the trade magazines and other sources for product reviews. You will want to talk to users about how well the product actually works. You may also want to check US Environmental Protection Agency (EPA) and other government reports for toxicity and other safety information. And, of course, you will want to compare the product's constituent chemicals with the many hazardous constituency lists to ensure the safe and legal use of the product in your workplace

  12. Qualitative and quantitative evaluation of solvent systems for countercurrent separation.

    Science.gov (United States)

    Friesen, J Brent; Ahmed, Sana; Pauli, Guido F

    2015-01-16

    Rational solvent system selection for countercurrent chromatography and centrifugal partition chromatography technology (collectively known as countercurrent separation) studies continues to be a scientific challenge as the fundamental questions of comparing polarity range and selectivity within a solvent system family and between putative orthogonal solvent systems remain unanswered. The current emphasis on metabolomic investigations and analysis of complex mixtures necessitates the use of successive orthogonal countercurrent separation (CS) steps as part of complex fractionation protocols. Addressing the broad range of metabolite polarities demands development of new CS solvent systems with appropriate composition, polarity (π), selectivity (σ), and suitability. In this study, a mixture of twenty commercially available natural products, called the GUESSmix, was utilized to evaluate both solvent system polarity and selectively characteristics. Comparisons of GUESSmix analyte partition coefficient (K) values give rise to a measure of solvent system polarity range called the GUESSmix polarity index (GUPI). Solvatochromic dye and electrical permittivity measurements were also evaluated in quantitatively assessing solvent system polarity. The relative selectivity of solvent systems were evaluated with the GUESSmix by calculating the pairwise resolution (αip), the number of analytes found in the sweet spot (Nsw), and the pairwise resolution of those sweet spot analytes (αsw). The combination of these parameters allowed for both intra- and inter-family comparison of solvent system selectivity. Finally, 2-dimensional reciprocal shifted symmetry plots (ReSS(2)) were created to visually compare both the polarities and selectivities of solvent system pairs. This study helps to pave the way to the development of new solvent systems that are amenable to successive orthogonal CS protocols employed in metabolomic studies. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. SOLVENT FIRE BY-PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Walker, D; Samuel Fink, S

    2006-05-22

    Southwest Research Institute (SwRI) conducted a burn test of the Caustic-Side Solvent Extraction (CSSX) solvent to determine the combustion products. The testing showed hydrogen fluoride gas is not a combustion product from a solvent fire when up to 70% of the solvent is consumed. The absence of HF in the combustion gases may reflect concentration of the modifier containing the fluoride groups in the unburned portion. SwRI reported results for other gases (CO, HCN, NOx, formaldehyde, and hydrocarbons). The results, with other supporting information, can be used for evaluating the consequences of a facility fire involving the CSSX solvent inventory.

  14. PSE For Solvent Applications: A Generic Computer-aided Solvent Selection and Design Framework

    DEFF Research Database (Denmark)

    Mitrofanov, Igor; Sin, Gürkan; Gani, Rafiqul

    system engineering view that emphasizes a systematic and generic solution framework to solvent selection problems is presented. The framework integrates different methods and tools to manage the complexity and solve a wide range of problems in efficient and flexible manner. Its software implementation...

  15. Nonlocal Poisson-Fermi model for ionic solvent.

    Science.gov (United States)

    Xie, Dexuan; Liu, Jinn-Liang; Eisenberg, Bob

    2016-07-01

    We propose a nonlocal Poisson-Fermi model for ionic solvent that includes ion size effects and polarization correlations among water molecules in the calculation of electrostatic potential. It includes the previous Poisson-Fermi models as special cases, and its solution is the convolution of a solution of the corresponding nonlocal Poisson dielectric model with a Yukawa-like kernel function. The Fermi distribution is shown to be a set of optimal ionic concentration functions in the sense of minimizing an electrostatic potential free energy. Numerical results are reported to show the difference between a Poisson-Fermi solution and a corresponding Poisson solution.

  16. Molecular and ionic hydrogen bond formation in fluorous solvents.

    Science.gov (United States)

    O'Neal, Kristi L; Weber, Stephen G

    2009-01-08

    There are only a few studies of noncovalent association in fluorous solvents and even fewer that are quantitative. A full understanding, particularly of stoichiometry and binding strength of noncovalent interactions in fluorous solvents could be very useful in improved molecular-receptor-based extractions, advancements in sensor technologies, crystal engineering, and supramolecular chemistry. This work investigates hydrogen bonding between heterocyclic bases and a perfluoropolyether with a terminal carboxylic acid group (Krytox 157FSH (1)), chiefly in FC-72 (a mixture of perfluorohexanes). In particular, we were interested in whether or not proton transfer occurs, and if so, under what conditions in H-bonded complexes. Continuous variations experiments show that in FC-72 weaker bases (pyrazine, pyrimidine, and quinazoline) form 1:1 complexes with 1, whereas stronger bases (quinoline, pyridine, and isoquinoline) form 1:3 complexes. Ultraviolet and infrared spectral signatures reveal that the 1:1 complexes are molecular (B.HA) whereas the 1:3 complexes are ionic (BH+.A-HAHA). Infrared spectra of 1:3 ionic complexes are discussed in detail. Literature and experimental data on complexes between N-heterocyclic bases and carboxylic acids in a range of solvents are compiled to compare solvent effects on proton transfer. Polar solvents support ionic hydrogen bonds at a 1:1 mol ratio. In nonpolar organic solvents, ionic hydrogen bonds are only observed in complexes with 1:2 (base/acid) stoichiometries. In fluorous solvents, a larger excess of acid, 1:3, is necessary to facilitate proton transfer in hydrogen bonds between carboxylic acids and the bases studied.

  17. Application of rank annihilation factor analysis to the spectrophotometric determination of the formation constant of complex of a new synthesized tripodal ligand with Co2+

    Directory of Open Access Journals (Sweden)

    Reza Golbedaghi

    2017-05-01

    Full Text Available The complex formation between a new synthesized tripodal ligand (L22py and the cation Co2+ in water was studied spectrophotometrically using rank annihilation factor analysis (RAFA. According to molar ratio data the stoichiometry of complexation between the ligand and the cation Co2+ was 1:1. Formation constant of this complex was derived using RAFA on spectrophotometric data. In this process the contribution of ligand is removed from the absorbance data matrix when the complex stability constant acts as an optimizing object and simply combined with the pure spectrum of ligand, the rank of original data matrix can be reduced by one by annihilating the information of the ligand from the original data matrix. The effect of ethanol, dimethylformamide (DMF and acetonitrile (AN was investigated on the formation constant of the Co2+ complex. Complex formation constant in water was estimated as log Kf = 5.09 ± 0.02. In mixtures of solvents of water and DMF and water and AN, the formation constant of the complex was increased because of lowering donor number of the solvent and in mixture of water and ethanol, the complex formation constant was decreased because of lowering of dielectric constant of the solvent.

  18. Laser amplification in excited dielectrics

    DEFF Research Database (Denmark)

    Winkler, Thomas; Haahr-Lillevang, Lasse; Sarpe, Cristian

    2018-01-01

    Wide-bandgap dielectrics such as glasses or water are transparent at visible and infrared wavelengths. This changes when they are exposed to ultrashort and highly intense laser pulses. Different interaction mechanisms lead to the appearance of various transient nonlinear optical phenomena. Using...... these, the optical properties of dielectrics can be controlled from the transparent to the metal-like state. Here we expand this range by a yet unexplored mechanism in excited dielectrics: amplification. In a two-colour pump-probe experiment, we show that a 400nm femtosecond laser pulse is coherently...

  19. Solvent effects in chemistry

    CERN Document Server

    Buncel, Erwin

    2015-01-01

    This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds.  It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as ""green"" chemistry, where ut

  20. Dielectric Elastomers for Fluidic and Biomedical Applications

    Science.gov (United States)

    McCoul, David James

    other smaller particulate debris into the system. After a channel blockage was confirmed, three actuation attempts successfully cleared the blockage. Further tests indicated that the device were biocompatible with HeLa cells at 3 kV. To our knowledge this is the first pairing of dielectric elastomers with microfluidics in a non-electroosmotic context. Applications may include adaptive microfilters, micro-peristaltic pumps, and reduced-complexity lab-on-a-chip devices. Dielectric elastomers can also be adapted to manipulate fluidic systems on a larger scale. The second part of the dissertation research reports a novel low-profile, biomimetic dielectric elastomer tubular actuator capable of actively controlling hydraulic flow. The tubular actuator has been established as a reliable tunable valve, pinching a secondary silicone tube completely shut in the absence of a fluidic pressure bias or voltage, offering a high degree of resistance against fluidic flow, and able to open and completely remove this resistance to flow with an applied low power actuation voltage. The system demonstrates a rise in pressure of ~3.0 kPa when the dielectric elastomer valve is in the passive, unactuated state, and there is a quadratic fall in this pressure with increasing actuation voltage, until ~0 kPa is reached at 2.4 kV. The device is reliable for at least 2,000 actuation cycles for voltages at or below 2.2 kV. Furthermore, modeling of the actuator and fluidic system yields results consistent with the observed experimental dependence of intrasystem pressure on input flow rate, actuator prestretch, and actuation voltage. To our knowledge, this is the first actuator of its type that can control fluid flow by directly actuating the walls of a tube. Potential applications may include an implantable artificial sphincter, part of a peristaltic pump, or a computerized valve for fluidic or pneumatic control. The final part of the dissertation presents a novel dielectric elastomer band with

  1. Effect of reaction solvent on hydroxyapatite synthesis in sol-gel process

    Science.gov (United States)

    Nazeer, Muhammad Anwaar; Yilgor, Emel; Yagci, Mustafa Baris; Unal, Ugur; Yilgor, Iskender

    2017-12-01

    Synthesis of hydroxyapatite (HA) through sol-gel process in different solvent systems is reported. Calcium nitrate tetrahydrate (CNTH) and diammonium hydrogen phosphate (DAHP) were used as calcium and phosphorus precursors, respectively. Three different synthesis reactions were carried out by changing the solvent media, while keeping all other process parameters constant. A measure of 0.5 M aqueous DAHP solution was used in all reactions while CNTH was dissolved in distilled water, tetrahydrofuran (THF) and N,N-dimethylformamide (DMF) at a concentration of 0.5 M. Ammonia solution (28-30%) was used to maintain the pH of the reaction mixtures in the 10-12 range. All reactions were carried out at 40 ± 2°C for 4 h. Upon completion of the reactions, products were filtered, washed and calcined at 500°C for 2 h. It was clearly demonstrated through various techniques that the dielectric constant and polarity of the solvent mixture strongly influence the chemical structure and morphological properties of calcium phosphate synthesized. Water-based reaction medium, with highest dielectric constant, mainly produced β-calcium pyrophosphate (β-CPF) with a minor amount of HA. DMF/water system yielded HA as the major phase with a very minor amount of β-CPF. THF/water solvent system with the lowest dielectric constant resulted in the formation of pure HA.

  2. Solvent extraction of zirconium

    International Nuclear Information System (INIS)

    Kim, S.S.; Yoon, J.H.

    1981-01-01

    The extraction of zirconium(VI) from an aqueous solution of constant ionic strength with versatic acid-10 dissolved in benzen was studied as a function of pH and the concentration of zirconium(VI) and organic acid. The effects of sulphate and chlorine ions on the extraction of the zirconium(VI) were briefly examined. It was revealed that (ZrOR 2 .2RH) is the predominant species of extracted zirconium(VI) in the versatic acid-10. The chemical equation and the apparent equilibrium constants thereof have been determined as follows. (ZrOsup(2+))aq+ 2(R 2 H 2 )sub(org) = (ZrOR 2 .2RH)sub(org)+2(H + )aq Ksub(Zr) = (ZrOR 2 .2RH)sub(org)(H + ) 2 /(ZrOsup(2+))sub(aq)(R 2 H 2 )sup(2)sub(org) = 3.3 x 10 -7 . The synergistic effects of TBP and D2EHPA were also studied. In the mixed solvent with 0.1M TBP, the synergistic effect was observed, while the mixed solvent with D2EHPA showed the antisynergistic effect. (Author)

  3. Modelos contínuos do solvente: fundamentos Continuum solvation models: fundamentals

    Directory of Open Access Journals (Sweden)

    Josefredo R. Pliego Jr

    2006-06-01

    Full Text Available Continuum solvation models are nowadays widely used in the modeling of solvent effects and the range of applications goes from the calculation of partition coefficients to chemical reactions in solution. The present work presents a detailed explanation of the physical foundations of continuum models. We discuss the polarization of a dielectric and its representation through the volume and surface polarization charges. The Poisson equation for a dielectric was obtained and we have also derived and discuss the apparent surface charge method and its application for free energy of solvation calculations.

  4. Deposition dynamics of multi-solvent bioinks

    Science.gov (United States)

    Kaneelil, Paul; Pack, Min; Cui, Chunxiao; Han, Li-Hsin; Sun, Ying

    2017-11-01

    Inkjet printing cellular scaffolds using bioinks is gaining popularity due to the advancement of printing technology as well as the growing demands of regenerative medicine. Numerous studies have been conducted on printing scaffolds of biomimetic structures that support the cell production of human tissues. However, the underlying physics of the deposition dynamics of bioinks remains elusive. Of particular interest is the unclear deposition dynamics of multi-solvent bioinks, which is often used to tune the micro-architecture formation. Here we systematically studied the effects of jetting frequency, solvent properties, substrate wettability, and temperature on the three-dimensional deposition patterns of bioinks made of Methacrylated Gelatin and Carboxylated Gelatin. The microflows inside the inkjet-printed picolitre drops were visualized using fluorescence tracer particles to decipher the complex processes of multi-solvent evaporation and solute self-assembly. The evolution of droplet shape was observed using interferometry. With the integrated techniques, the interplay of solvent evaporation, biopolymer deposition, and multi-drop interactions were directly observed for various ink and substrate properties, and printing conditions. Such knowledge enables the design and fabrication of a variety of tissue engineering scaffolds for potential use in regenerative medicine.

  5. Silicone-based Dielectric Elastomers

    DEFF Research Database (Denmark)

    Skov, Anne Ladegaard

    Efficient conversion of energy from one form to another (transduction) is an important topic in our daily day, and it is a necessity in moving away from the fossil based society. Dielectric elastomers hold great promise as soft transducers, since they are compliant and light-weight amongst many...... energy efficient solutions are highly sought. These properties allow for interesting products ranging very broadly, e.g. from eye implants over artificial skins over soft robotics to huge wave energy harvesting plants. All these products utilize the inherent softness and compliance of the dielectric...... elastomer transducers. The subject of this thesis is improvement of properties of silicone-based dielectric elastomers with special focus on design guides towards electrically, mechanically, and electromechanically reliable elastomers. Strategies for improving dielectric elastomer performance are widely...

  6. Tuning the dielectric properties of thiourea analog crystals for efficient nonlinear optical applications

    International Nuclear Information System (INIS)

    Sabari Girisun, T.C.; Dhanuskodi, S.

    2010-01-01

    Materials with low dielectric constant have attracted a great deal of interest in the field of nonlinear applications and microelectronic industry. Metal complexes of thiourea with group II transition metals (Zn, Cd) as central atom and period III elements (S, Cl) were synthesized by chemical reaction method and single crystals were grown from aqueous solution by slow evaporation method. By parallel plate capacitor technique, the dielectric response, dissipation factor, ac conductivity and impedance of virgin and metal complexes have been studied in the frequency (100 Hz to 5 MHz) and temperature (303-423 K) ranges. Metal complexes of thiourea with cadmium substitute have a low dielectric constant less than 10. Also the presence of chlorine in the metal complex induces noncentro symmetric structure. Hence the role of group II transition metals and period III elements in tuning the dielectric properties for efficient nonlinear applications has been studied.

  7. Effect of Pre-Strain on the Dielectric and Dynamic Mechanical Properties of HSIII Silicone

    National Research Council Canada - National Science Library

    Szabo, J. P; Underhill, R. S; Rawji, M; Keough, I. A

    2006-01-01

    ...% uni-axial pre strain. The mechanical loss factor was unaffected by pre strain. The real and imaginary parts of the complex dielectric permittivity were also unaffected by the application of a biaxial pre strain...

  8. Structural, dielectric and a.c. conductivity study of Sb2O3 thin film ...

    Indian Academy of Sciences (India)

    X-ray diffraction; a.c. conductivity; dielectric properties; complex electric modulus. ... the study disordered systems because of the unusual temper- ..... energy. tunnelling model suggested by Wang et al [31], (s) should decrease with increase in ...

  9. Interconnect Between a Waveguide and a Dielectric Waveguide Comprising an Impedance Matched Dielectric Lens

    Science.gov (United States)

    Decrossas, Emmanuel (Inventor); Chattopadhyay, Goutam (Inventor); Chahat, Nacer (Inventor); Tang, Adrian J. (Inventor)

    2016-01-01

    A lens for interconnecting a metallic waveguide with a dielectric waveguide is provided. The lens may be coupled a metallic waveguide and a dielectric waveguide, and minimize a signal loss between the metallic waveguide and the dielectric waveguide.

  10. Background Noise Contributes to Organic Solvent Induced Brain Dysfunction

    Directory of Open Access Journals (Sweden)

    O’neil W. Guthrie

    2016-01-01

    Full Text Available Occupational exposure to complex blends of organic solvents is believed to alter brain functions among workers. However, work environments that contain organic solvents are also polluted with background noise which raises the issue of whether or not the noise contributed to brain alterations. The purpose of the current study was to determine whether or not repeated exposure to low intensity noise with and without exposure to a complex blend of organic solvents would alter brain activity. Female Fischer344 rats served as subjects in these experiments. Asynchronous volume conductance between the midbrain and cortex was evaluated with a slow vertex recording technique. Subtoxic solvent exposure, by itself, had no statistically significant effects. However, background noise significantly suppressed brain activity and this suppression was exacerbated with solvent exposure. Furthermore, combined exposure produced significantly slow neurotransmission. These abnormal neurophysiologic findings occurred in the absence of hearing loss and detectable damage to sensory cells. The observations from the current experiment raise concern for all occupations where workers are repeatedly exposed to background noise or noise combined with organic solvents. Noise levels and solvent concentrations that are currently considered safe may not actually be safe and existing safety regulations have failed to recognize the neurotoxic potential of combined exposures.

  11. Background Noise Contributes to Organic Solvent Induced Brain Dysfunction

    Science.gov (United States)

    Guthrie, O'neil W.; Wong, Brian A.; McInturf, Shawn M.; Reboulet, James E.; Ortiz, Pedro A.; Mattie, David R.

    2016-01-01

    Occupational exposure to complex blends of organic solvents is believed to alter brain functions among workers. However, work environments that contain organic solvents are also polluted with background noise which raises the issue of whether or not the noise contributed to brain alterations. The purpose of the current study was to determine whether or not repeated exposure to low intensity noise with and without exposure to a complex blend of organic solvents would alter brain activity. Female Fischer344 rats served as subjects in these experiments. Asynchronous volume conductance between the midbrain and cortex was evaluated with a slow vertex recording technique. Subtoxic solvent exposure, by itself, had no statistically significant effects. However, background noise significantly suppressed brain activity and this suppression was exacerbated with solvent exposure. Furthermore, combined exposure produced significantly slow neurotransmission. These abnormal neurophysiologic findings occurred in the absence of hearing loss and detectable damage to sensory cells. The observations from the current experiment raise concern for all occupations where workers are repeatedly exposed to background noise or noise combined with organic solvents. Noise levels and solvent concentrations that are currently considered safe may not actually be safe and existing safety regulations have failed to recognize the neurotoxic potential of combined exposures. PMID:26885406

  12. Background Noise Contributes to Organic Solvent Induced Brain Dysfunction.

    Science.gov (United States)

    Guthrie, O'neil W; Wong, Brian A; McInturf, Shawn M; Reboulet, James E; Ortiz, Pedro A; Mattie, David R

    2016-01-01

    Occupational exposure to complex blends of organic solvents is believed to alter brain functions among workers. However, work environments that contain organic solvents are also polluted with background noise which raises the issue of whether or not the noise contributed to brain alterations. The purpose of the current study was to determine whether or not repeated exposure to low intensity noise with and without exposure to a complex blend of organic solvents would alter brain activity. Female Fischer344 rats served as subjects in these experiments. Asynchronous volume conductance between the midbrain and cortex was evaluated with a slow vertex recording technique. Subtoxic solvent exposure, by itself, had no statistically significant effects. However, background noise significantly suppressed brain activity and this suppression was exacerbated with solvent exposure. Furthermore, combined exposure produced significantly slow neurotransmission. These abnormal neurophysiologic findings occurred in the absence of hearing loss and detectable damage to sensory cells. The observations from the current experiment raise concern for all occupations where workers are repeatedly exposed to background noise or noise combined with organic solvents. Noise levels and solvent concentrations that are currently considered safe may not actually be safe and existing safety regulations have failed to recognize the neurotoxic potential of combined exposures.

  13. Dielectric properties of gadolinium molybdate in low- and infralow frequency electric fields

    International Nuclear Information System (INIS)

    Galiyarova, N.M.; Gorin, S.V.; Dontsova, L.I.; Shil'nikov, A.V.; Shuvalov, L.A.; AN SSSR, Moscow

    1992-01-01

    Temperature dependences of complex dielectric permittivity of gadolinium molybdate (GMO) in low- (LF) and infralow-frequency (ILF) electric fields with 0.1 V·cm -1 amplitude within 0.25-10 4 Hz frequency range are studied. Substantial effect of the crystal prehistory on LF and ILF dielectric properties and domain structure state is revealed. An anomalous reduction of complex dielectric permittivity accompanied by the occurrence of the Debye LF-dispersion of permittivity is detected under the sample cooling from a nonpolar phase

  14. Solvent extraction of thorium(IV) with dibutyldithiophosphoric acid in various organic solvents

    International Nuclear Information System (INIS)

    Curtui, M.; Haiduc, I.

    1994-01-01

    The extraction of thorium(IV) from perchlorate solutions with di-n-butyldithiophosphoric acid (HBudtp) in various organic solvents occurs through an ion exchange mechanism. The extracted species in the organic phase is an eight-coordinate complex Th(Budtp) 4 . The higher values of the distribution ratio obtained in HBudtp-benzene-water system than in HBudtp-n-butanol-water system are explained by higher solubility of the complex species in nonpolar solvents. The position of the extraction curves in the pH-range lower than 0.7 reduces the complexation of thorium(IV) with Budtp - in the aqueous phase and also the hydrolysis process. (author) 8 refs.; 4 figs.; 1 tab

  15. Diluent effects in solvent extraction. The Effects of Diluents in Solvent Extraction - a literature study

    International Nuclear Information System (INIS)

    Loefstroem-Engdahl, Elin; Aneheim, Emma; Ekberg, Christian; Foreman, Mark; Skarnemark, Gunnar

    2010-01-01

    The fact that the choice of organic diluent is important for a solvent extraction process goes without saying. Several factors, such as e.g. price, flash point, viscosity, polarity etc. each have their place in the planning of a solvent extraction system. This high number of variables makes the lack of compilations concerning diluent effects to an interesting topic. Often the interest for the research concerning a specific extraction system focuses on the extractant used and the complexes built up during an extraction. The diluents used are often classical ones, even if it has been shown that choice of diluent can affect extraction as well as separation in an extraction system. An attempt to point out important steps in the understanding of diluent effects in solvent extraction is here presented. This large field is, of course, not summarized in this article, but an attempt is made to present important steps in the understanding of diluents effects in solvent extraction. Trying to make the information concerning diluent effects and applications more easily accessible this review offers a selected summarizing of literature concerning diluents effects in solvent extraction. (authors)

  16. Spectroscopic and DFT study of solvent effects on the electronic absorption spectra of sulfamethoxazole in neat and binary solvent mixtures

    Science.gov (United States)

    Almandoz, M. C.; Sancho, M. I.; Blanco, S. E.

    2014-01-01

    The solvatochromic behavior of sulfamethoxazole (SMX) was investigated using UV-vis spectroscopy and DFT methods in neat and binary solvent mixtures. The spectral shifts of this solute were correlated with the Kamlet and Taft parameters (α, β and π*). Multiple lineal regression analysis indicates that both specific hydrogen-bond interaction and non specific dipolar interaction play an important role in the position of the absorption maxima in neat solvents. The simulated absorption spectra using TD-DFT methods were in good agreement with the experimental ones. Binary mixtures consist of cyclohexane (Cy)-ethanol (EtOH), acetonitrile (ACN)-dimethylsulfoxide (DMSO), ACN-dimethylformamide (DMF), and aqueous mixtures containing as co-solvents DMSO, ACN, EtOH and MeOH. Index of preferential solvation was calculated as a function of solvent composition and non-ideal characteristics are observed in all binary mixtures. In ACN-DMSO and ACN-DMF mixtures, the results show that the solvents with higher polarity and hydrogen bond donor ability interact preferentially with the solute. In binary mixtures containing water, the SMX molecules are solvated by the organic co-solvent (DMSO or EtOH) over the whole composition range. Synergistic effect is observed in the case of ACN-H2O and MeOH-H2O, indicating that at certain concentrations solvents interact to form association complexes, which should be more polar than the individual solvents of the mixture.

  17. Ultrasonication-Assisted Solvent Extraction of Quercetin Glycosides from ‘Idared’ Apple Peels

    Directory of Open Access Journals (Sweden)

    Gwendolyn M. Huber

    2011-11-01

    Full Text Available Quercetin and quercetin glycosides are physiologically active flavonol molecules that have been attributed numerous health benefits. Recovery of such molecules from plant matrices depends on a variety of factors including polarity of the extraction solvent. Among the solvents of a wide range of dielectric constants, methanol recovered the most quercetin and its glycosides from dehydrated ‘Idared’ apple peels. When ultra-sonication was employed to facilitate the extraction, exposure of 15 min of ultrasound wavelengths of dehydrated apple peel powder in 80% to 100% (v/v methanol in 1:50 (w:v solid to solvent ratio provided the optimum extraction conditions for quercetin and its glycosides. Acidification of extraction solvent with 0.1% (v/v or higher concentrations of HCl led to hydrolysis of naturally occurring quercetin glycosides into the aglycone as an extraction artifact.

  18. Solvent-cast three-dimensional printing of multifunctional microsystems.

    Science.gov (United States)

    Guo, Shuang-Zhuang; Gosselin, Frédérick; Guerin, Nicolas; Lanouette, Anne-Marie; Heuzey, Marie-Claude; Therriault, Daniel

    2013-12-20

    The solvent-cast direct-write fabrication of microstructures is shown using a thermoplastic polymer solution ink. The method employs the robotically controlled microextrusion of a filament combined with a rapid solvent evaporation. Upon drying, the increased rigidity of the extruded filament enables the creation of complex freeform 3D shapes. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Influence of Doping Concentration on Dielectric, Optical, and Morphological Properties of PMMA Thin Films

    Directory of Open Access Journals (Sweden)

    Lyly Nyl Ismail

    2012-01-01

    Full Text Available PMMA thin films were deposited by sol gel spin coating method on ITO substrates. Toluene was used as the solvent to dissolve the PMMA powder. The PMMA concentration was varied from 30 ~ 120 mg. The dielectric properties were measured at frequency of 0 ~ 100 kHz. The dielectric permittivity was in the range of 7.3 to 7.5 which decreased as the PMMA concentration increased. The dielectric loss is in the range of 0.01 ~ –0.01. All samples show dielectric characteristics which have dielectric loss is less than 0.05. The optical properties for thin films were measured at room temperature across 200 ~ 1000 nm wavelength region. All samples are highly transparent. The energy band gaps are in the range of 3.6 eV to 3.9 eV when the PMMA concentration increased. The morphologies of the samples show that all samples are uniform and the surface roughness increased as the concentration increased. From this study, it is known that, the dielectric, optical, and morphology properties were influenced by the amount of PMMA concentration in the solution.

  20. Role of dielectric effects in the red-green switching of porous silicon luminescence

    International Nuclear Information System (INIS)

    Chazalviel, J.N.; Ozanam, F.; Dubin, V.M.

    1994-01-01

    Trapping of a carrier at an ionized impurity in porous silicon may be significantly hindered when the material is embedded in a high-dielectric-constant medium such as an aqueous electrolyte. This effect is estimated for a geometry of cylindrical silicon wires, and by modeling the two media with wavevector-independent dielectric constants. The self-image potential of the electron is taken into account, and the frequency dependence of the outer dielectric constant is treated in a simple manner. The results demonstrate that the impurity states are not accessible in the presence of the electrolyte, just due to the dielectric relaxation of the embedding medium. This result may apply to different kinds of localized electronic states, including those responsible for the red luminescence in dry porous silicon. This provides a plausible explanation for the red to green switching of the luminescence when the porous silicon is wet and suggests that using embedding media of intermediate dielectric constants should allow one to observe a progressive transition between red and green luminescence. Observation of porous silicon luminescence in solvents of various dielectric constants provides a preliminary test of this prediction. (orig.)

  1. An experimental investigation of the dielectric properties of electrorheological fluids

    International Nuclear Information System (INIS)

    Sun, Y; Thomas, M; Masounave, J

    2009-01-01

    A home-made electrorheological (ER) fluid, known as ETSERF, has been created with suspension-based powders dispersed in silicone oil. Because of the special structure of their particles, ETSERF suspensions present a complex behavior. In the absence of an electric field, the ETSERF fluid manifests a near-Newtonian behavior, but when an electric field is applied, it exhibits a pseudoplastic behavior with yield stress. The ER effect under DC electric fields has been experimentally investigated using both hydrous and anhydrous ER fluids. The ER properties are strongly dependent on the dielectric properties of ETSERF suspensions, and hydrous ER fluids have a high dielectric constant and a high relaxation frequency which show a strong electrorheological effect. The relationship between the electrorheological effect and the permittivity of ER fluids has also been extensively studied. Experimental results show that the interfacial polarization plays an important role in the electrorheological phenomenon. The ageing of ETSERF fluids was also studied and it was found that the dielectric properties (mainly the dielectric loss tangent) and ER properties are strongly related to the duration of ageing. A fresh ETSERF suspension exhibits high relaxation frequency and high dielectric constant. These results are mainly explained by the effect of interfacial polarizations

  2. Transformation Algorithm of Dielectric Response in Time-Frequency Domain

    Directory of Open Access Journals (Sweden)

    Ji Liu

    2014-01-01

    Full Text Available A transformation algorithm of dielectric response from time domain to frequency domain is presented. In order to shorten measuring time of low or ultralow frequency dielectric response characteristics, the transformation algorithm is used in this paper to transform the time domain relaxation current to frequency domain current for calculating the low frequency dielectric dissipation factor. In addition, it is shown from comparing the calculation results with actual test data that there is a coincidence for both results over a wide range of low frequencies. Meanwhile, the time domain test data of depolarization currents in dry and moist pressboards are converted into frequency domain results on the basis of the transformation. The frequency domain curves of complex capacitance and dielectric dissipation factor at the low frequency range are obtained. Test results of polarization and depolarization current (PDC in pressboards are also given at the different voltage and polarization time. It is demonstrated from the experimental results that polarization and depolarization current are affected significantly by moisture contents of the test pressboards, and the transformation algorithm is effective in ultralow frequency of 10−3 Hz. Data analysis and interpretation of the test results conclude that analysis of time-frequency domain dielectric response can be used for assessing insulation system in power transformer.

  3. Hydrostatic pressure effects on the dielectric response of potassium cyanide

    International Nuclear Information System (INIS)

    Ortiz Lopez, J.

    1992-01-01

    The complex dielectric constant of crystalline KCN was measured under hydrostatic pressures up to 6.1 kbar in the temperature and frequency ranges of 50-300 K and 10-10 5 Hz, respectively. It is found that the pressure derivative of the real part of the dielectric constant at all measured temperatures is negative. From these results we obtain estimates for the pressure and volume derivatives of polarizabilities. The anomaly in the real part of the dielectric constant at the elastic order-disorder transition shifts to higher temperatures with increasing pressure at a rate of 2.05 K/kbar. By carefully avoiding thermal cycling through this transition we find no evidence of the monoclinic phase reported to exist in the P-T phase diagram of KCN at relatively low pressures. Dielectric loss measurements show thermally-activated CN - reorientation rates in the elastically ordered phase with pressure-independent reorientational barriers and decreasing attempt frequencies for increasing pressures. Additional pressure effects on dielectric loss allow to obtain the pressure derivative of the antiferroelectric transition temperature as 1.97 K/kbar. (Author)

  4. Selective solvent extraction of oils

    Energy Technology Data Exchange (ETDEWEB)

    1938-04-09

    In the selective solvent extraction of naphthenic base oils, the solvent used consists of the extract obtained by treating a paraffinic base oil with a selective solvent. The extract, or partially spent solvent is less selective than the solvent itself. Selective solvents specified for the extraction of the paraffinic base oil are phenol, sulphur dioxide, cresylic acid, nitrobenzene, B:B/sup 1/-dichlorethyl ether, furfural, nitroaniline and benzaldehyde. Oils treated are Coastal lubricating oils, or naphthenic oils from the cracking, or destructive hydrogenation of coal, tar, lignite, peat, shale, bitumen, or petroleum. The extraction may be effected by a batch or counter-current method, and in the presence of (1) liquefied propane, or butane, or naphtha, or (2) agents which modify the solvent power such as, water, ammonia, acetonitrile, glycerine, glycol, caustic soda or potash. Treatment (2) may form a post-treatment effected on the extract phase. In counter-current treatment in a tower some pure selective solvent may be introduced near the raffinate outlet to wash out any extract therefrom.

  5. THE INFLUENCE OF THE SOLVENT ON THE THERMODYNAMICS OF ION ASSOCIATION

    Directory of Open Access Journals (Sweden)

    Vitalii Chumak

    2011-03-01

    Full Text Available Abstract. Some approaches which allow to divide thermodynamic functions of the ion associationprocess in two components have been developed. The first component belongs to the process, the second oneis caused by the temperature dependence of the dielectric permittivity of the solvent. The theory is confirmedby numerous examples of the ion association process of different electrolytes in the binary mixed solvents.Keywords: covalent part of the constant of ionic association, electrostatic part of the constant of ionicassociation, enthalpy of the chemical equilibria in solution, enthropy of the chemical equilibria in solution,ionic association, ionic equilibrias, the equilibrium constant.

  6. Dielectric Relaxation Studies of 2-Butoxyethanol with Aniline and Substituted Anilines Using Time Domain Reflectometry

    Directory of Open Access Journals (Sweden)

    P. Jeevanandham

    2014-01-01

    Full Text Available The complex dielectric spectra of 2-butoxyethanol with aniline and substituted anilines like aniline, o-chloroaniline, m-chloroaniline, o-anisidine and m-anisidine binary mixtures in the composition of different volumes of percent (0%, 25%, 50%, 75%, and 100% have been measured as a function of frequency between 10 MHz and 30 GHz at 298.15 K. The dielectric parameters like static dielectric constant ε0 and relaxation time τ have been obtained by using least square fit method. By using these parameters ε0,τ, effective Kirkwood correlation factor geff, corrective Kirkwood correlation factor gf, Bruggeman factor fB, excess dielectric constant εE, and excess inverse relaxation time 1/τE values are calculated and discussed to yield information on the dipolar alignment and molecular rotation of the binary liquid mixtures. From all the derived dielectric parameters, molecular interactions are interpreted through hydrogen bonding.

  7. Selection and design of solvents

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    and design of solvents will be presented together with application examples. The selection problem is defined as finding known chemicals that match the desired functions of a solvent for a specified set of applications. The design problem is defined as finding the molecular structure (or mixture of molecules....... With increasing interest on issues such as waste, sustainability, environmental impact and green chemistry, the selection and design of solvents have become important problems that need to be addressed during chemical product-process design and development. Systematic methods and tools suitable for selection......) that match the desired functions of a solvent for a specified set of applications. Use of organic chemicals and ionic liquids as solvents will be covered....

  8. Effects of Polymeric Dielectric Morphology on Pentacene Morphology and Organic TFT Characteristics

    Directory of Open Access Journals (Sweden)

    Ye Rongbin

    2016-01-01

    Full Text Available In this paper, we report on the effects of the polymeric dielectric morphology on pentacene morphology and organic thin film transistor (TFT characteristics. The morphology and thickness of cyclo-olefin polymer (COP dielectric could be controlled by selecting a solvent. Higher the solvent’s boiling point is, thinner and smother COP films could be obtained. Using the solvent of trimethylcyclohexane, the spin-coated COP films of ca. 330 nm with the peak-to-valley of 7.35 nm and the roughness of root mean square of 0.58 nm were obtained, and pentacene TFT showed high mobility of 2.0 cm2V-1s-1, which originated from highly ordering of pentacene thin films deposited on the smoother and thinner COP films.

  9. Electrical actuation of dielectric droplets

    International Nuclear Information System (INIS)

    Kumari, N; Bahadur, V; Garimella, S V

    2008-01-01

    Electrical actuation of liquid droplets at the microscale offers promising applications in the fields of microfluidics and lab-on-a-chip devices. Much prior research has targeted the electrical actuation of electrically conducting liquid droplets; however, the actuation of dielectric droplets has remained relatively unexplored, despite the advantages associated with the use of a dielectric droplet. This paper presents modeling and experimental results on the electrical actuation of dielectric droplets between two flat plates. A first-order analytical model, based on the energy-minimization principle, is developed to estimate the electrical actuation force on a dielectric droplet as it moves between two flat plates. Two versions of this analytical model are benchmarked for their suitability and accuracy against a detailed numerical model. The actuation force prediction is then combined with available semi-analytical expressions for predicting the forces opposing droplet motion to develop a model that predicts transient droplet motion under electrical actuation. Electrical actuation of dielectric droplets is experimentally demonstrated by moving transformer oil droplets between two flat plates under the influence of an actuation voltage. Droplet velocities and their dependence on the plate spacing and the applied voltage are experimentally measured and showed reasonable agreement with predictions from the models developed

  10. Coordination conversion of cobalt(II) in binary aqueous-organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Khvostova, N.O.; Karapetyan, G.O.; Yanush, O.V.

    1985-11-01

    It has been shown that the thermochromic conversions of cobalt(II) in binary solvents are influenced by a number of factors: the nature of the solvent, the strength of the complexes of octahedral symmetry formed, the outer-sphere influence of the solvent on the complexes, the form of the anion, the solvation of the participants in the reaction, and the interaction of the components of the solvent with one another. A correlation between the strength and the spectral position of the absorption bands of the complexes of the activator has been established, and a spectroscopic criterion for selecting the solvents has been proposed. The expediency of using binary solvents to create effective thermochromic media with variable phototransmission has been substantiated.

  11. Solvent effects on the excited-state double proton transfer mechanism in the 7-azaindole dimer: a TDDFT study with the polarizable continuum model.

    Science.gov (United States)

    Yu, Xue-Fang; Yamazaki, Shohei; Taketsugu, Tetsuya

    2017-08-30

    Solvent effects on the excited-state double proton transfer (ESDPT) mechanism in the 7-azaindole (7AI) dimer were investigated using the time-dependent density functional theory (TDDFT) method. Excited-state potential energy profiles along the reaction paths in a locally excited (LE) state and a charge transfer (CT) state were calculated using the polarizable continuum model (PCM) to include the solvent effect. A series of non-polar and polar solvents with different dielectric constants were used to examine the polarity effect on the ESDPT mechanism. The present results suggest that in a non-polar solvent and a polar solvent with a small dielectric constant, ESDPT follows a concerted mechanism, similar to the case in the gas phase. In a polar solvent with a relatively large dielectric constant, however, ESDPT is likely to follow a stepwise mechanism via a stable zwitterionic intermediate in the LE state on the adiabatic potential energy surface, although inclusion of zero-point vibrational energy (ZPE) corrections again suggests the concerted mechanism. In the meantime, the stepwise reaction path involving the CT state with neutral intermediates is also examined, and is found to be less competitive than the concerted or stepwise path in the LE state in both non-polar and polar solvents. The present study provides a new insight into the experimental controversy of the ESDPT mechanism of the 7AI dimer in a solution.

  12. Solvent extraction of Zn and metals in Zn ores by nonphosphorous solvents

    International Nuclear Information System (INIS)

    Auchapt, J.M.; Tostain, Jacqueline.

    1975-07-01

    This bibliography follows a first work on Zn solvent extraction by organo-phosphorous compounds. The other solvents used in Zn extraction, are studied: oxygenated nonphosphorous solvents (ketones, alcohols, carboxylic acids, sulfonates), nitrogenous solvents and hydrocarbons [fr

  13. Volumetric Properties of the Ionic Liquid, 1-Butyl-3-methylimidazolium Tetrafluoroborate, in Organic Solvents at T = 298.15K

    Science.gov (United States)

    Shekaari, Hemayat; Zafarani-Moattar, Mohammed Taghi

    2008-04-01

    Apparent molar volumes, V_φ , and compressibilities, kappa _φ , of 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIm][BF4]) have been determined from precise density and speed-of-sound measurements in organic solvents, methanol (MeOH), acetonitrile (MeCN), tetrahydrofuran (THF), N, N-dimethylacetamide (DMA), and dimethylsulfoxide (DMSO) in the dilute region of the ionic liquid. Corresponding values at infinite dilution are estimated by the Redlich-Mayer and Pitzer equations. The results have been interpreted by the interaction of the [BMIm][BF4] in the organic solvents. Results show that the structure and dielectric constant of the organic solvents play an important role for the ion-solvent interactions in these mixtures. It was found that the strength of interaction between [BMIm][BF4] with the studied organic solvents has the order DMSO > DMA > MeOH > MeCN > THF.

  14. Cesium Concentration in MCU Solvent

    International Nuclear Information System (INIS)

    Walker, D

    2006-01-01

    During Modular Caustic-Side Solvent Extraction (CSSX) Unit (MCU) operations, Cs-137 concentrations in product streams will vary depending on the location in the process and on the recent process conditions. Calculations of cesium concentrations under a variety of operating conditions reveal the following: (1) Under nominal operations with salt solution feed containing 1.1 Ci Cs-137 per gallon, the maximum Cs-137 concentration in the process will occur in the strip effluent (SE) and equal 15-16.5 Ci/gal. (2) Under these conditions, the majority of the solvent will contain 0.005 to 0.01 Ci/gal, with a limited portion of the solvent in the contactor stages containing ∼4 Ci/gal. (3) When operating conditions yield product near 0.1 Ci Cs-137/gal in the decontaminated salt solution (DSS), the SE cesium concentration will be the same or lower than in nominal operations, but majority of the stripped solvent will increase to ∼2-3 Ci/gal. (4) Deviations in strip and waste stream flow rates cause the largest variations in cesium content: (a) If strip flow rates deviate by -30% of nominal, the SE will contain ∼23 Ci/gal, although the cesium content of the solvent will increase to only 0.03 Ci/gal; (b) If strip flow rate deviates by -77% (i.e., 23% of nominal), the SE will contain 54 Ci/gal and solvent will contain 1.65 Ci/gal. At this point, the product DSS will just reach the limit of 0.1 Ci/gal, causing the DSS gamma monitors to alarm; and (c) Moderate (+10 to +30%) deviations in waste flow rate cause approximately proportional increases in the SE and solvent cesium concentrations. Recovery from a process failure due to poor cesium stripping can achieve any low cesium concentration required. Passing the solvent back through the contactors while recycling DSS product will produce a ∼70% reduction during one pass through the contactors (assuming the stripping D value is no worse than 0.36). If the solvent is returned to the solvent hold tank (containing additional

  15. Influence of solvent on the infared spectrum of carbon monoxide adsorbed on platinum electrodes

    OpenAIRE

    Feltovich, Susanne D.

    1993-01-01

    The behavior of adsorbed carbon monoxide on platinum was studied using potential difference infrared spectroscopy. Three solvents and three electrolytes were chosen, and data gathered at both high and low adsorbate coverages. The rate of change of IR peak position with applied potential, the Stark tuning rate, was used as an indicator of the local electric field strength at the interface. It was determined that neither solvated cation size nor bulk dielectric constant accoun...

  16. Laser amplification in excited dielectrics

    Science.gov (United States)

    Winkler, Thomas; Haahr-Lillevang, Lasse; Sarpe, Cristian; Zielinski, Bastian; Götte, Nadine; Senftleben, Arne; Balling, Peter; Baumert, Thomas

    2018-01-01

    Wide-bandgap dielectrics such as glasses or water are transparent at visible and infrared wavelengths. This changes when they are exposed to ultrashort and highly intense laser pulses. Different interaction mechanisms lead to the appearance of various transient nonlinear optical phenomena. Using these, the optical properties of dielectrics can be controlled from the transparent to the metal-like state. Here we expand this range by a yet unexplored mechanism in excited dielectrics: amplification. In a two-colour pump-probe experiment, we show that a 400 nm femtosecond laser pulse is coherently amplified inside an excited sapphire sample on a scale of a few micrometres. Simulations strongly support the proposed two-photon stimulated emission process, which is temporally and spatially controllable. Consequently, we expect applications in all fields that demand strongly localized amplification.

  17. Dielectric function of semiconductor superlattice

    International Nuclear Information System (INIS)

    Qin Guoyi.

    1990-08-01

    We present a calculation of the dielectric function for semiconductor GaAs/Ga 1-x Al x As superlattice taking account of the extension of the electron envelope function and the difference of both the dielectric constant and width between GaAs and Ga 1-x Al x As layers. In the appropriate limits, our results exactly reduce to the well-known results of the quasi two-dimensional electron gas obtained by Lee and Spector and of the period array of two-dimensional electron layers obtained by Das Sarma and Quinn. By means of the dielectric function of the superlattice, the dispersion relation of the collective excitation and the screening property of semiconductor superlattice are discussed and compared with the results of the quasi two-dimensional system and with the results of the periodic array of the two-dimensional electron layers. (author). 4 refs, 3 figs

  18. Capacitive Cells for Dielectric Constant Measurement

    Science.gov (United States)

    Aguilar, Horacio Munguía; Maldonado, Rigoberto Franco

    2015-01-01

    A simple capacitive cell for dielectric constant measurement in liquids is presented. As an illustrative application, the cell is used for measuring the degradation of overheated edible oil through the evaluation of their dielectric constant.

  19. Dielectric behaviour of strontium tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    dielectric loss (tan δ) as functions of frequency and temperature. Ion core type ... Since the data on dielectric properties of strontium tartrate trihydrate (STT) do not ... through 'AE' make 15-amp dimmerstat, the rate of heating was maintained ...

  20. The Dielectric Constant of Lubrication Oils

    National Research Council Canada - National Science Library

    Carey, A

    1998-01-01

    The values of the dielectric constant of simple molecules is discussed first, along with the relationship between the dielectric constant and other physical properties such as boiling point, melting...

  1. Mathematical Modeling of Electrical Conductivity of Dielectric with Dispersed Metallic Inclusions

    Directory of Open Access Journals (Sweden)

    V. S. Zarubin

    2015-01-01

    Full Text Available Composites are increasingly used for application in engineering as structural, thermal protection and functional materials, including dielectrics, because of a wide variety of properties. The relative dielectric constant and the dielectric loss tangent are basic functional characteristics of a composite used as a dielectric. The quantitative level of these characteristics is mainly affected by the properties of the composite matrix and inclusions as well as their shape and volume concentration. Metallic inclusions in a dielectric, which serves as a function of the composite matrix, expand electrical properties of the composite in particular increase its dielectric constant and dielectric loss tangent and thereby greatly expand its application field. Dielectric losses are defined by the imaginary component of the complex value of the relative dielectric constant of the dielectric. At a relatively low vibration frequency of electromagnetic field affecting the dielectric, this value is proportional to the electrical conductivity of the dielectric and inversely proportional to the frequency. In order to predict the expected value of the electric conductivity of the dielectric with metallic inclusions, a mathematical model that properly describes the structure of the composite and the electrical interaction of the matrix and inclusions is required.In the paper, a mathematical model of the electrical interaction of the representative element of the composite structure and a homogeneous isotropic medium with electrical conductivity, which is desired characteristics of the composite, is constructed. Globular shape of the metallic inclusions as an average statistical form of dispersed inclusions with a comparable size in all directions is adopted. The inclusion is covered with a globular layer of electrical insulation to avoid percolation with increasing volume concentration of inclusions. Outer globular layer of representative structure of composite

  2. Silicone elastomers with high dielectric permittivity and high dielectric breakdown strength based on tunable functionalized copolymers

    DEFF Research Database (Denmark)

    Madsen, Frederikke Bahrt; Yu, Liyun; Daugaard, Anders Egede

    2015-01-01

    system, with respect to functionalization, is achieved. It is investigated how the different functionalization variables affect essential DE properties, including dielectric permittivity, dielectric loss, elastic modulus and dielectric breakdown strength, and the optimal degree of chemical......%) was obtained without compromising other vital DE properties such as elastic modulus, gel fraction, dielectric and viscous loss and electrical breakdown strength....

  3. Conductivity, dielectric behavior and FTIR studies of high molecular weight poly(vinylchloride)-lithium triflate polymer electrolytes

    International Nuclear Information System (INIS)

    Ramesh, S.; Chai, M.F.

    2007-01-01

    Thin films of high molecular weight polyvinyl chloride (PVC) with lithium triflate (LiCF 3 SO 3 ) salt were prepared by solution casting method. The ionic conductivity and dielectric measurements were carried out on these films over a wide frequency regime at various temperatures. The conductivity-temperature plots were found to obey classical Arrhenius relationship. The dielectric behavior was analysed using dielectric permittivity and dielectric modulus of the samples. FTIR studies show some simple overlapping and shift in peaks between high molecular weight polyvinyl chloride (PVC) with lithium triflate (LiCF 3 SO 3 ) salt in the polymer electrolyte complexes

  4. Conductivity, dielectric behavior and FTIR studies of high molecular weight poly(vinylchloride)-lithium triflate polymer electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Ramesh, S. [Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Setapak, 53300 Kuala Lumpur (Malaysia)]. E-mail: ramesh@mail.utar.edu.my; Chai, M.F. [Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Setapak, 53300 Kuala Lumpur (Malaysia)

    2007-05-15

    Thin films of high molecular weight polyvinyl chloride (PVC) with lithium triflate (LiCF{sub 3}SO{sub 3}) salt were prepared by solution casting method. The ionic conductivity and dielectric measurements were carried out on these films over a wide frequency regime at various temperatures. The conductivity-temperature plots were found to obey classical Arrhenius relationship. The dielectric behavior was analysed using dielectric permittivity and dielectric modulus of the samples. FTIR studies show some simple overlapping and shift in peaks between high molecular weight polyvinyl chloride (PVC) with lithium triflate (LiCF{sub 3}SO{sub 3}) salt in the polymer electrolyte complexes.

  5. Geometric phase from dielectric matrix

    International Nuclear Information System (INIS)

    Banerjee, D.

    2005-10-01

    The dielectric property of the anisotropic optical medium is found by considering the polarized photon as two component spinor of spherical harmonics. The Geometric Phase of a polarized photon has been evaluated in two ways: the phase two-form of the dielectric matrix through a twist and the Pancharatnam phase (GP) by changing the angular momentum of the incident polarized photon over a closed triangular path on the extended Poincare sphere. The helicity in connection with the spin angular momentum of the chiral photon plays the key role in developing these phase holonomies. (author)

  6. Time-dependent non-equilibrium dielectric response in QM/continuum approaches

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Feizhi; Lingerfelt, David B.; Li, Xiaosong, E-mail: benedetta.mennucci@unipi.it, E-mail: li@chem.washington.edu [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States); Mennucci, Benedetta, E-mail: benedetta.mennucci@unipi.it, E-mail: li@chem.washington.edu [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa (Italy)

    2015-01-21

    The Polarizable Continuum Models (PCMs) are some of the most inexpensive yet successful methods for including the effects of solvation in quantum-mechanical calculations of molecular systems. However, when applied to the electronic excitation process, these methods are restricted to dichotomously assuming either that the solvent has completely equilibrated with the excited solute charge density (infinite-time limit), or that it retains the configuration that was in equilibrium with the solute prior to excitation (zero-time limit). This renders the traditional PCMs inappropriate for resolving time-dependent solvent effects on non-equilibrium solute electron dynamics like those implicated in the instants following photoexcitation of a solvated molecular species. To extend the existing methods to this non-equilibrium regime, we herein derive and apply a new formalism for a general time-dependent continuum embedding method designed to be propagated alongside the solute’s electronic degrees of freedom in the time domain. Given the frequency-dependent dielectric constant of the solvent, an equation of motion for the dielectric polarization is derived within the PCM framework and numerically integrated simultaneously with the time-dependent Hartree fock/density functional theory equations. Results for small molecular systems show the anticipated dipole quenching and electronic state dephasing/relaxation resulting from out-of-phase charge fluctuations in the dielectric and embedded quantum system.

  7. Charge accumulation in lossy dielectrics: a review

    DEFF Research Database (Denmark)

    Rasmussen, Jørgen Knøster; McAllister, Iain Wilson; Crichton, George C

    1999-01-01

    At present, the phenomenon of charge accumulation in solid dielectrics is under intense experimental study. Using a field theoretical approach, we review the basis for charge accumulation in lossy dielectrics. Thereafter, this macroscopic approach is applied to planar geometries such that the mat......At present, the phenomenon of charge accumulation in solid dielectrics is under intense experimental study. Using a field theoretical approach, we review the basis for charge accumulation in lossy dielectrics. Thereafter, this macroscopic approach is applied to planar geometries...

  8. Processing of polymers using reactive solvents

    NARCIS (Netherlands)

    Lemstra, P.J.; Kurja, J.; Meijer, H.E.H.; Meijer, H.E.H.

    1997-01-01

    A review with many refs. on processing of polymers using reactive solvents including classification of synthetic polymers, guidelines for the selection of reactive solvents, basic aspects of processing, examples of intractable and tractable polymer/reactive solvent system

  9. Handbook of organic solvent properties

    CERN Document Server

    Smallwood, Ian

    2012-01-01

    The properties of 72 of the most commonly used solvents are given, tabulated in the most convenient way, making this book a joy for industrial chemists to use as a desk reference. The properties covered are those which answer the basic questions of: Will it do the job? Will it harm the user? Will it pollute the air? Is it easy to handle? Will it pollute the water? Can it be recovered or incinerated? These are all factors that need to be considered at the early stages of choosing a solvent for a new product or process.A collection of the physical properties of most commonly used solvents, their

  10. Acetone-based cellulose solvent.

    Science.gov (United States)

    Kostag, Marc; Liebert, Tim; Heinze, Thomas

    2014-08-01

    Acetone containing tetraalkylammonium chloride is found to be an efficient solvent for cellulose. The addition of an amount of 10 mol% (based on acetone) of well-soluble salt triethyloctylammonium chloride (Et3 OctN Cl) adjusts the solvent's properties (increases the polarity) to promote cellulose dissolution. Cellulose solutions in acetone/Et3 OctN Cl have the lowest viscosity reported for comparable aprotic solutions making it a promising system for shaping processes and homogeneous chemical modification of the biopolymer. Recovery of the polymer and recycling of the solvent components can be easily achieved. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Extraction and dielectric properties of curcuminoid films grown on Si substrate for high-k dielectric applications

    International Nuclear Information System (INIS)

    Dakhel, A.A.; Jasim, Khalil E.; Cassidy, S.; Henari, F.Z.

    2013-01-01

    Highlights: • The unknown insulating properties of curcuminoid extract are systematically studied. • Optical study gives a bandgap of 3.15 eV and a refractive index of 1.92 at 505 nm. • Turmeric is a high-k environmental friendly material for use in microelectronics. • Curcuminoid extract can be used as insulator of MIS devices with ε ′ ∞ ≈54.2. -- Abstract: Curcuminoids were extracted from turmeric powder and evaporated in vacuum to prepare thin films on p-Si and glass substrates for dielectric and optical investigations. The optical absorption spectrum of the prepared amorphous film was not identical to that of the molecular one, which was identified by a strong wide absorption band in between ∼220 and 540 nm. The onset energy of the optical absorption of the film was calculated by using Hamberg et al. method. The dielectric properties of this material were systematically studied for future eco friendly applications in metal–insulator–semiconductor MIS field of applications. The complex dielectric properties were studied in the frequency range of 1–1000 kHz and was analysed in-terms of dielectric impedance Z * (ω) and modulus M * (ω). Generally, the curcuminoid complex can be considered as a high-k material and can be used in the environmental friendly production of microelectronic devices

  12. Extraction and dielectric properties of curcuminoid films grown on Si substrate for high-k dielectric applications

    Energy Technology Data Exchange (ETDEWEB)

    Dakhel, A.A.; Jasim, Khalil E. [Department of Physics, College of Science, University of Bahrain, P.O. Box 32038 (Bahrain); Cassidy, S. [Department of Basic Medical Sciences, Royal College of Surgeons in Ireland, Medical University of Bahrain, P.O. Box 15503 (Bahrain); Henari, F.Z., E-mail: fzhenari@rcsi-mub.com [Department of Basic Medical Sciences, Royal College of Surgeons in Ireland, Medical University of Bahrain, P.O. Box 15503 (Bahrain)

    2013-09-20

    Highlights: • The unknown insulating properties of curcuminoid extract are systematically studied. • Optical study gives a bandgap of 3.15 eV and a refractive index of 1.92 at 505 nm. • Turmeric is a high-k environmental friendly material for use in microelectronics. • Curcuminoid extract can be used as insulator of MIS devices with ε{sup ′}{sub ∞}≈54.2. -- Abstract: Curcuminoids were extracted from turmeric powder and evaporated in vacuum to prepare thin films on p-Si and glass substrates for dielectric and optical investigations. The optical absorption spectrum of the prepared amorphous film was not identical to that of the molecular one, which was identified by a strong wide absorption band in between ∼220 and 540 nm. The onset energy of the optical absorption of the film was calculated by using Hamberg et al. method. The dielectric properties of this material were systematically studied for future eco friendly applications in metal–insulator–semiconductor MIS field of applications. The complex dielectric properties were studied in the frequency range of 1–1000 kHz and was analysed in-terms of dielectric impedance Z{sup *}(ω) and modulus M{sup *}(ω). Generally, the curcuminoid complex can be considered as a high-k material and can be used in the environmental friendly production of microelectronic devices.

  13. Cellulose Triacetate Dielectric Films For Capacitors

    Science.gov (United States)

    Yen, Shiao-Ping S.; Jow, T. Richard

    1994-01-01

    Cellulose triacetate investigated for use as dielectric material in high-energy-density capacitors for pulsed-electrical-power systems. Films of cellulose triacetate metalized on one or both sides for use as substrates for electrodes and/or as dielectrics between electrodes in capacitors. Used without metalization as simple dielectric films. Advantages include high breakdown strength and self-healing capability.

  14. A dielectric relaxation approach

    Indian Academy of Sciences (India)

    The complex permittivity spectra were studied using the time domain reflectometry [6,7] method. The Hewlett Packard HP 54750 sampling oscilloscope with HP 54754A TDR plug in module has been used. A fast rising step voltage pulse of about 40 ps rise time was propagated through a coaxial line system. Transmission ...

  15. Ionic conductivity and dielectric permittivity of polymer electrolyte plasticized with polyethylene glycol

    Science.gov (United States)

    Das, S.; Ghosh, A.

    2016-05-01

    We have studied ionic conductivity and dielectric permittivity of PEO-LiClO4 solid polymer electrolyte plasticized with polyethylene glycol (PEG). The temperature dependence of the ionic conductivity has been well interpreted using Vogel-Tamman-Fulcher equation. The maximum dielectric constant is observed for 30 wt. % of PEG content. To get further insights into the ion dynamics, the complex dielectric permittivity has been studied with Havriliak-Negami function. The variation of relaxation time with inverse temperature obtained from HN formalism follows VTF nature.

  16. Meta-atom microfluidic sensor for measurement of dielectric properties of liquids

    Science.gov (United States)

    Awang, Robiatun A.; Tovar-Lopez, Francisco J.; Baum, Thomas; Sriram, Sharath; Rowe, Wayne S. T.

    2017-03-01

    High sensitivity microwave frequency microfluidic sensing is gaining popularity in chemical and biosensing applications for evaluating the dielectric properties of liquid samples. Here, we show that a tiny microfluidic channel positioned in the gaps of a dual-gap meta-atom split-ring resonator can exploit the electric field sensitivity to predict the dielectric properties of liquid samples. Employing an empirical relation between resonant characteristics of the fabricated sensor and the complex permittivity of water-ethanol or water-methanol mixtures produces good congruence to standardized values from the literature. This microfluidic sensor offers a potential lab-on-chip solution for liquid dielectric characterization without external electrical connections.

  17. Dielectric relaxation and hydrogen bonding interaction in xylitol-water mixtures using time domain reflectometry

    Science.gov (United States)

    Rander, D. N.; Joshi, Y. S.; Kanse, K. S.; Kumbharkhane, A. C.

    2016-01-01

    The measurements of complex dielectric permittivity of xylitol-water mixtures have been carried out in the frequency range of 10 MHz-30 GHz using a time domain reflectometry technique. Measurements have been done at six temperatures from 0 to 25 °C and at different weight fractions of xylitol (0 xylitol-water can be well described by Cole-Davidson model having an asymmetric distribution of relaxation times. The dielectric parameters such as static dielectric constant and relaxation time for the mixtures have been evaluated. The molecular interaction between xylitol and water molecules is discussed using the Kirkwood correlation factor ( g eff ) and thermodynamic parameter.

  18. Dielectric waveguide amplifiers and lasers

    NARCIS (Netherlands)

    Pollnau, Markus

    The performance of semiconductor amplifiers and lasers has made them the preferred choice for optical gain on a micro-chip. In the past few years, we have demonstrated that also rare-earth-ion-doped dielectric waveguides show remarkable performance, ranging from a small-signal gain per unit length

  19. Dielectric properties of fly ash

    Indian Academy of Sciences (India)

    Unknown

    India's annual coal production is used in about 72 power- generating plants and ... performance of this material as cracking catalyst was investigated with ... Chemically, the FA was silica to an extent of 55–70%, followed by ... Cu, Pb, Cd, Ag, Mn, Fe, Ti, Na, Mo, S, P, Zn and Cl in different ... two-probe method. The dielectric ...

  20. Dielectric polarization in random media

    International Nuclear Information System (INIS)

    Ramshaw, J.D.

    1984-01-01

    The theory of dielectric polarization in random media is systematically formulated in terms of response kernels. The primary response kernel K(12) governs the mean dielectric response at the point r 1 to the external electric field at the point r 2 in an infinite system. The inverse of K(12) is denoted by L(12);. it is simpler and more fundamental than K(12) itself. Rigorous expressions are obtained for the effective dielectric constant epsilon( in terms of L(12) and K(12). The latter expression involves the Onsger-Kirkwood function (epsilon(-epsilon 0 (2epsilon(+epsilon 0 )/epsilon 0 epsilon( (where epsilon 0 is an arbitrary reference value), and appears to be new to the random medium context. A wide variety of series representations for epsilon( are generated by means of general perturbation expansions for K(12) and L(12). A discussion is given of certain pitfalls in the theory, most of which are related to the fact that the response kernels are long ranged. It is shown how the dielectric behavior of nonpolar molecular fluids may be treated as a special case of the general theory. The present results for epsilon( apply equally well to other effective phenomenological coefficients of the same generic type, such as thermal and electrical conductivity, magnetic susceptibility, and diffusion coefficients

  1. Improved di-electric composition

    Energy Technology Data Exchange (ETDEWEB)

    Sharp, R C

    1915-03-29

    An improved di-electric composition is disclosed composed of pitch or bitumen which is melted, and to which is added, while molten, a quantity of finely ground or pulverized spent shale, the whole being mixed or stirred to make a homogeneous composition, substantially as described.

  2. Uranium refining by solvent extraction

    International Nuclear Information System (INIS)

    Kraikaew, J.

    1996-01-01

    The yellow cake refining was studied in both laboratory and semi-pilot scales. The process units mainly consist of dissolution and filtration, solvent extraction, and precipitation and filtration. Effect of flow ratio (organic flow rate/ aqueous flow rate) on working efficiencies of solvent extraction process was studied. Detailed studies were carried out on extraction, scrubbing and stripping processes. Purity of yellow cake product obtained is high as 90.32% U 3 O 8

  3. Aerosols released from solvent fire accidents in reprocessing plants

    International Nuclear Information System (INIS)

    Jordan, S.; Lindner, W.

    1985-01-01

    Thermodynamic, aerosol characterizing and radiological data of solvent fires in reprocessing plants have been established in experiments. These are the main results: Depending on the ventilation in the containment, kerosene-TBP mixtures burn at a rate up to 120 kg/m 2 h. The aqueous phase of inorganic-organic mixtures might be released during the fire. The gaseous reaction products contain unburnable acidic compounds. Solvents with TBP-nitrate complex shows higher (up to 25%) burning rates than pure solvents (kerosene-TBP). The nitrate complex decomposes violently at about 130 0 C with a release of acid and unburnable gases. Up to 20% of the burned kerosene-TBP solvents are released during the fire in the form of soot particles, phosphoric acid and TBP decomposition products. The particles have an aerodynamic mass median diameter of about 0.5 μm and up to 1.5% of the uranium fixed in the TBP-nitrate complex is released during solvent fires. (orig.)

  4. Kinetic isotope effects and tunnelling in the proton-transfer reaction between 4-nitrophenylnitromethane and tetramethylguanidine in various aprotic solvents

    International Nuclear Information System (INIS)

    Caldin, E.F.; Mateo, S.

    1975-01-01

    Rates and equilibrium constants have been determined for the proton-transfer reaction of 4-nitrophenylnitromethane, NO 2 C 6 H 4 CH 2 NO 2 , and its αα-deuterated analogue NO 2 C 6 H 4 CD 2 NO 2 , with the strong base tetramethylguanidine [HN=C(NMe 2 ) 2 ), at temperatures between -60 0 C and +65 0 in a range of aprotic solvents. Spectrophotometry and the stopped-flow technique were used. The reaction is a simple proton-transfer process leading to an ion-pair. The kinetic isotope effects are correlated with the polarity of the solvents, as measured by the dielectric constant or by the empirical parameter Esub(T). In the less polar solvents they are exceptionally large. In toluene, for example, at 25 0 C the rate ratio ksup(H)/ksup(D) = 45 +- 2, the activation energy difference Esub(a)sup(D) - Esub(a)sup(H) =4.3 +- 0.3 kcal molsup(-1) (16 kJ molsup(-1), and the ratio of the pre-exponential factors logsub(10) (Asup(D)/Asup(H)) = 1.5 +- 0.2+ and even larger values of logsub(10)(Asup(D)/Asup(H)) are found for mesitylene (1.94 +- 0.06) and cyclohexane (2.4 +- 0.2). Positive deviations from linear Arrhenius plots are found for these solvents. Tunnelling is the only interpretation that cannot account for these results. For the more polar solvents (dielectric constant 7 to 37), the isotope effects are closer to the range predicted by semi-classical theory. The isotope effects in all solvents have been fitted to Bell's equation for a parabolic barrier, and the barrier dimensions calculated for each solvent. The suggested interpretation of the results is that the solvent-solute interactions affect the height of the barrier and that motions of solvent molecules are coupled with the motion of the proton in the more polar solvents but not in the less polar ones; reorganization of solvent molecules accompanies the proton-transfer in the more polar solvents, but only electron-polarization in the less polar. Tunnelling has large effects in the less polar solvents, where the

  5. Investigation of the dielectric properties of shale

    International Nuclear Information System (INIS)

    Martemyanov, Sergey M.

    2011-01-01

    The article is dedicated to investigation of the dielectric properties of oil shale. Investigations for samples prepared from shale mined at the deposit in Jilin Province in China were done. The temperature and frequency dependences of rock characteristics needed to calculate the processes of their thermal processing are investigated. Frequency dependences for the relative dielectric constant and dissipation factor of rock in the frequency range from 0,1 Hz to 1 MHz are investigated. The temperature dependences for rock resistance, dielectric capacitance and dissipation factor in the temperature range from 20 to 600°C are studied. Key words: shale, dielectric properties, relative dielectric constant, dissipation factor, temperature dependence, frequency dependence

  6. Silver(I) complexes of the weakly coordinating solvents SO(2) and CH(2)Cl(2): crystal structures, bonding, and energetics of [Ag(OSO)][Al{OC(CF(3))(3)}(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(CH(2)Cl(2))(2)][SbF(6)].

    Science.gov (United States)

    Decken, Andreas; Knapp, Carsten; Nikiforov, Grigori B; Passmore, Jack; Rautiainen, J Mikko; Wang, Xinping; Zeng, Xiaoqing

    2009-06-22

    Pushing the limits of coordination chemistry: The most weakly coordinated silver complexes of the very weakly coordinating solvents dichloromethane and liquid sulfur dioxide were prepared. Special techniques at low temperatures and the use of weakly coordinating anions allowed structural characterization of [Ag(OSO)][Al{OC(CF(3))(3)}(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(Cl(2)CH(2))(2)][SbF(6)] (see figure). An investigation of the bonding shows that these complexes are mainly stabilized by electrostatic monopole-dipole interactions.The synthetically useful solvent-free silver(I) salt Ag[Al(pftb)(4)] (pftb=--OC(CF(3))(3)) was prepared by metathesis reaction of Li[Al(pftb)(4)] with Ag[SbF(6)] in liquid SO(2). The solvated complexes [Ag(OSO)][Al(pftb)(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(CH(2)Cl(2))(2)][SbF(6)] were prepared and isolated by special techniques at low temperatures and structurally characterized by single-crystal X-ray diffraction. The SO(2) complexes provide the first examples of coordination of the very weak Lewis base SO(2) to silver(I). The SO(2) molecule in [Ag(OSO)][Al(pftb)(4)] is eta(1)-O coordinated to Ag(+), while the SO(2) ligands in [Ag(OSO)(2/2)][SbF(6)] bridge two Ag(+) ions in an eta(2)-O,O' (trans,trans) manner. [Ag(CH(2)Cl(2))(2)][SbF(6)] contains [Ag(CH(2)Cl(2))(2)](+) ions linked through [SbF(6)](-) ions to give a polymeric structure. The solid-state silver(I) ion affinities (SIA) of SO(2) and CH(2)Cl(2), based on bond lengths and corresponding valence units in the corresponding complexes and tensimetric titrations of Ag[Al(pftb)(4)] and Ag[SbF(6)] with SO(2) vapor, show that SO(2) is a weaker ligand to Ag(+) than the commonly used weakly coordinating solvent CH(2)Cl(2) and indicated that binding strength of SO(2) to silver(I) in the silver(I) salts increases with increasing size of the corresponding counteranion ([Al(pftb)(4)](-)>[SbF(6)](-)). The experimental findings are in good agreement with theoretical gas-phase ligand

  7. AC conductivity and dielectric behavior of bulk Furfurylidenemalononitrile

    Science.gov (United States)

    El-Nahass, M. M.; Ali, H. A. M.

    2012-06-01

    AC conductivity and dielectric behavior for bulk Furfurylidenemalononitrile have been studied over a temperature range (293-333 K) and frequency range (50-5×106 Hz). The frequency dependence of ac conductivity, σac, has been investigated by the universal power law, σac(ω)=Aωs. The variation of the frequency exponent (s) with temperature was analyzed in terms of different conduction mechanisms, and it was found that the correlated barrier hopping (CBH) model is the predominant conduction mechanism. The temperature dependence of σac(ω) showed a linear increase with the increase in temperature at different frequencies. The ac activation energy was determined at different frequencies. Dielectric data were analyzed using complex permittivity and complex electric modulus for bulk Furfurylidenemalononitrile at various temperatures.

  8. Solvent/Non-Solvent Sintering To Make Microsphere Scaffolds

    Science.gov (United States)

    Laurencin, Cato T.; Brown, Justin L.; Nair, Lakshmi

    2011-01-01

    A solvent/non-solvent sintering technique has been devised for joining polymeric microspheres to make porous matrices for use as drug-delivery devices or scaffolds that could be seeded with cells for growing tissues. Unlike traditional sintering at elevated temperature and pressure, this technique is practiced at room temperature and pressure and, therefore, does not cause thermal degradation of any drug, protein, or other biochemical with which the microspheres might be loaded to impart properties desired in a specific application. Also, properties of scaffolds made by this technique are more reproducible than are properties of comparable scaffolds made by traditional sintering. The technique involves the use of two miscible organic liquids: one that is and one that is not a solvent for the affected polymer. The polymeric microspheres are placed in a mold having the size and shape of the desired scaffold, then the solvent/non-solvent mixture is poured into the mold to fill the void volume between the microspheres, then the liquid mixture is allowed to evaporate. Some of the properties of the resulting scaffold can be tailored through choice of the proportions of the liquids and the diameter of the microspheres.

  9. Two-phase mixed media dielectric with macro dielectric beads for enhancing resistivity and breakdown strength

    Science.gov (United States)

    Falabella, Steven; Meyer, Glenn A; Tang, Vincent; Guethlein, Gary

    2014-06-10

    A two-phase mixed media insulator having a dielectric fluid filling the interstices between macro-sized dielectric beads packed into a confined volume, so that the packed dielectric beads inhibit electro-hydrodynamically driven current flows of the dielectric liquid and thereby increase the resistivity and breakdown strength of the two-phase insulator over the dielectric liquid alone. In addition, an electrical apparatus incorporates the two-phase mixed media insulator to insulate between electrical components of different electrical potentials. And a method of electrically insulating between electrical components of different electrical potentials fills a confined volume between the electrical components with the two-phase dielectric composite, so that the macro dielectric beads are packed in the confined volume and interstices formed between the macro dielectric beads are filled with the dielectric liquid.

  10. Dielectric modelling of cell division for budding and fission yeast

    International Nuclear Information System (INIS)

    Asami, Koji; Sekine, Katsuhisa

    2007-01-01

    The frequency dependence of complex permittivity or the dielectric spectrum of a system including a cell in cell division has been simulated by a numerical technique based on the three-dimensional finite difference method. Two different types of cell division characteristic of budding and fission yeast were examined. The yeast cells are both regarded as a body of rotation, and thus have anisotropic polarization, i.e. the effective permittivity of the cell depends on the orientation of the cell to the direction of an applied electric field. In the perpendicular orientation, where the rotational axis of the cell is perpendicular to the electric field direction, the dielectric spectra for both yeast cells included one dielectric relaxation and its intensity depended on the cell volume. In the parallel orientation, on the other hand, two dielectric relaxations appeared with bud growth for budding yeast and with septum formation for fission yeast. The low-frequency relaxation was shifted to a lower frequency region by narrowing the neck between the bud and the mother cell for budding yeast and by increasing the degree of septum formation for fission yeast. After cell separation, the low-frequency relaxation disappeared. The simulations well interpreted the oscillation of the relative permittivity of culture broth found for synchronous cell growth of budding yeast

  11. Dielectric, thermal and mechanical properties of ADP doped PVA composites

    Science.gov (United States)

    Naik, Jagadish; Bhajantri, R. F.; Ravindrachary, V.; Rathod, Sunil G.; Sheela, T.; Naik, Ishwar

    2015-06-01

    Polymer composites of poly(vinyl alcohol) (PVA), doped with different concentrations of ammonium dihydrogen phosphate (ADP) has been prepared by solution casting. The formation of complexation between ADP and PVA was confirmed with the help of Fourier transforms infrared (FTIR) spectroscopy. Thermogravimetric analysis (TGA) shows thermal stability of the prepared composites. Impedance analyzer study revealed the increase in dielectric constant and loss with increase the ADP concentration and the strain rate of the prepared composites decreases with ADP concentration.

  12. The solvent effects on dimethyl phthalate investigated by FTIR characterization, solvent parameter correlation and DFT computation

    Science.gov (United States)

    Chen, Yi; Zhang, Hui; Zhou, Wenzhao; Deng, Chao; Liao, Jian

    2018-06-01

    This study set out with the aim of investigating the solvent effects on dimethyl phthalate (DMP) using FTIR characterization, solvent parameter correlation and DFT calculation. DMP exposed to 17 organic solvents manifested varying shift in the carbonyl stretching vibration frequency (νCdbnd O). Non-alkanols induced Band I and alkanols produced Band I and Band II. Through correlating the νCdbnd O with the empirical solvent scales including acceptor parameter (AN), Schleyer's linear free energy parameter (G), and linear free salvation energy relationships (LSER), Band I was mainly ascribed to non-specific effects from either non-alkanols or alkanol polymers ((alkanol)n). νCdbnd O of the latter indicated minor red shift and less variability compared to the former. An assumption was made and validated about the sequestering of hydroxyl group by the bulky hydrophobic chain in (alkanol)n, creating what we refer to as "screening effects". Ab initio calculation, on the other hand, provided insights for possible hydrogen binding between DMP and (ethanol)n or between ethanol monomers. The two components of Band I observed in inert solvents were assigned to the two Cdbnd O groups adopting differentiated conformations. This in turn prompted our consideration that hydrogen binding was highly selective in favor of lowly associated (alkanol)n and the particular Cdbnd O group having relatively less steric hindrance and stronger electron-donating capacity. Band II was therefore believed to derive from hydrogen-bond interactions mainly in manner of 1:1 and 1:2 DMP-(alkanol)n complexes.

  13. Influence of the Dielectric Medium on the Carbonyl Infrared Absorption Peak of Acetylferrocene

    Directory of Open Access Journals (Sweden)

    F. López-Linares

    2005-02-01

    Full Text Available The solvent effect on the position of the carbonyl vibrational stretching ofacetylferrocene in aprotic media was studied in this work. The solvent-induced shifts in thisorganometallic compound were interpreted in terms of the alternative reaction field model(SCRF-MO proposed by Kolling. In contrast to the established trends for carbonyl groupsin organic systems, the results suggest that the continuum models for the reaction field arenot adequate and that the influence of dipolarity-polarizability described by aninhomogeneous coupling function θ (ε L(n 2 that assumes optical dielectric saturation isresponsible for the carbonyl band shift and, there is empirical evidence that the effect offield-induced intermolecular interaction on band shift, interpreted in terms of the van derWaals forces from the solvent, have a important contribution to this phenomena.

  14. Anomalous Capacitance Maximum of the Glassy Carbon-Ionic Liquid Interface through Dilution with Organic Solvents.

    Science.gov (United States)

    Bozym, David J; Uralcan, Betül; Limmer, David T; Pope, Michael A; Szamreta, Nicholas J; Debenedetti, Pablo G; Aksay, Ilhan A

    2015-07-02

    We use electrochemical impedance spectroscopy to measure the effect of diluting a hydrophobic room temperature ionic liquid with miscible organic solvents on the differential capacitance of the glassy carbon-electrolyte interface. We show that the minimum differential capacitance increases with dilution and reaches a maximum value at ionic liquid contents near 5-10 mol% (i.e., ∼1 M). We provide evidence that mixtures with 1,2-dichloroethane, a low-dielectric constant solvent, yield the largest gains in capacitance near the open circuit potential when compared against two traditional solvents, acetonitrile and propylene carbonate. To provide a fundamental basis for these observations, we use a coarse-grained model to relate structural variations at the double layer to the occurrence of the maximum. Our results reveal the potential for the enhancement of double-layer capacitance through dilution.

  15. The Role of Solvent Polarity on Low-Temperature Methanol Synthesis Catalyzed by Cu Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ahoba-Sam, Christian [Department of Process, Energy and Environmental Technology, University College of Southeast Norway, Porsgrunn (Norway); Olsbye, Unni [Department of Chemistry, University of Oslo, Oslo (Norway); Jens, Klaus-Joachim, E-mail: Klaus.J.Jens@usn.no [Department of Process, Energy and Environmental Technology, University College of Southeast Norway, Porsgrunn (Norway)

    2017-07-14

    Methanol syntheses at low temperature in a liquid medium present an opportunity for full syngas conversion per pass. The aim of this work was to study the role of solvents polarity on low-temperature methanol synthesis reaction using eight different aprotic polar solvents. A “once through” catalytic system, which is composed of Cu nanoparticles and sodium methoxide, was used for methanol synthesis at 100°C and 20 bar syngas pressure. Solvent polarity rather than the 7–10 nm Cu (and 30 nm Cu on SiO{sub 2}) catalyst used dictated trend of syngas conversion. Diglyme with a dielectric constant (ε) = 7.2 gave the highest syngas conversion among the eight different solvents used. Methanol formation decreased with either increasing or decreasing solvent ε value of diglyme (ε = 7.2). To probe the observed trend, possible side reactions of methyl formate (MF), the main intermediate in the process, were studied. MF was observed to undergo two main reactions; (i) decarbonylation to form CO and MeOH and (ii) a nucleophilic substitution to form dimethyl ether and sodium formate. Decreasing polarity favored the decarbonylation side reaction while increasing polarity favored the nucleophilic substitution reaction. In conclusion, our results show that moderate polarity solvents, e.g., diglyme, favor MF hydrogenolysis and, hence, methanol formation, by retarding the other two possible side reactions.

  16. Linear absorptive dielectrics

    Science.gov (United States)

    Tip, A.

    1998-06-01

    Starting from Maxwell's equations for a linear, nonconducting, absorptive, and dispersive medium, characterized by the constitutive equations D(x,t)=ɛ1(x)E(x,t)+∫t-∞dsχ(x,t-s)E(x,s) and H(x,t)=B(x,t), a unitary time evolution and canonical formalism is obtained. Given the complex, coordinate, and frequency-dependent, electric permeability ɛ(x,ω), no further assumptions are made. The procedure leads to a proper definition of band gaps in the periodic case and a new continuity equation for energy flow. An S-matrix formalism for scattering from lossy objects is presented in full detail. A quantized version of the formalism is derived and applied to the generation of Čerenkov and transition radiation as well as atomic decay. The last case suggests a useful generalization of the density of states to the absorptive situation.

  17. Dielectric properties of polycrystalline Cu-Zn ferrites at microwave frequencies

    International Nuclear Information System (INIS)

    Lamani, Ashok R.; Jayanna, H.S.; Parameswara, P.; Somashekar, R.; Ramachander,; Rao, Ramchandra; Prasanna, G.D.

    2011-01-01

    Highlights: → Cu 1-x Zn x Fe 2 O 4 at different concentration are suitable for high frequency applications. → Dielectric properties are related with W-H plot. → The anisotropy due to the crystallite size effect is significant in change of dielectric constant. - Abstract: The real dielectric constant ε' and complex dielectric constant ε'' of Cu 1-x Zn x Fe 2 O 4 have been measured at room temperature in the high frequency range 1 MHz to 1.8 GHz. At low frequencies the dielectric loss is found to be constant up to 1.4 GHz and there is a sudden rise at 1.5 GHz. A qualitative explanation is given for the composition, frequency dependence of the dielectric constant and dielectric loss of Cu 1-x Zn x Fe 2 O 4 . These are correlated with the W-H plot which gives the information about change in the average crystal size and strain of the samples. The micro-morphological features of the samples were obtained by Scanning Electron Microscopy (SEM). The micrograph shows that the increase of the Zn content in Cu ferrite increases the grain size.

  18. Frequency and Temperature Dependent Dielectric Properties of Free-standing Strontium Titanate Thin Films.

    Science.gov (United States)

    Dalberth, Mark J.; Stauber, Renaud E.; Anderson, Britt; Price, John C.; Rogers, Charles T.

    1998-03-01

    We will report on the frequency and temperature dependence of the complex dielectric function of free-standing strontium titanate (STO) films. STO is an incipient ferroelectric with electric-field tunable dielectric properties of utility in microwave electronics. The films are grown epitaxially via pulsed laser deposition on a variety of substrates, including lanthanum aluminate (LAO), neodymium gallate (NGO), and STO. An initial film of yttrium barium cuprate (YBCO) is grown on the substrate, followed by deposition of the STO layer. Following deposition, the sacrificial YBCO layer is chemically etched away in dilute nitric acid, leaving the substrate and a released, free-standing STO film. Coplanar capacitor structures fabricated on the released films allow us to measure the dielectric response. We observe a peak dielectric function in excess of 5000 at 35K, change in dielectric constant of over a factor of 8 for 10Volt/micron electric fields, and temperature dependence above 50K that is very similar to bulk material. The dielectric loss shows two peaks, each with a thermally activated behavior, apparently arising from two types of polar defects. We will discuss the correlation between dielectric properties, growth conditions, and strain in the free-standing STO films.

  19. Green oxidation of alkenes in ionic liquid solvent by hydrogen

    Indian Academy of Sciences (India)

    Additionally, ion liquid solvent efficiently improved all the catalytic performances. Finally, the reaction was extended to different alkenes using the heterogeneous complex 2-L4. Among all the alkenes, those containing -electron-withdrawing groups and trans-orientations exhibited lower tendency for oxidation.

  20. Solvent isotope effect on the fluorescence of azoalkanes

    International Nuclear Information System (INIS)

    Mirbach, M.J.; Mirbach, M.F.; Cherry, W.R.; Turro, N.J.; Engel, P.

    1977-01-01

    A study of fluorescence quantum yields and fluorescence lifetimes of two cyclic azoalkanes reveal a striking dependence of phisub(F) and tausub(F) on solvent and on isotopic substitution (OH → OD). A mechanism involving specific deactivation of the fluorescent state from a hydrogen bonded complex is proposed to rationalize the data. (orig./HK) [de

  1. TALSPEAK Solvent Degradation

    Energy Technology Data Exchange (ETDEWEB)

    Leigh R. Martin; Bruce J. Mincher

    2009-09-01

    Understanding the radiolytic degradation behavior of organic molecules involved in new or existing schemes for the recycle of used nuclear fuels is of significant interest for sustaining a closed nuclear fuel cycle. Here we have conducted several lines of investigation to begin understanding the effects of radiolysis on the aqueous phase of the TALSPEAK process for the separation of the trivalent lanthanides from the trivalent actinides. Using the 60-Co irradiator at the INL, we have begun to quantify the effects of radiation on the aqueous phase complexants used in this separation technique, and how this will affect the actinide lanthanide separation factor. In addition we have started to develop methodologies for stable product identification, a key element in determining the degradation pathways. We have also introduced a methodology to investigate the effects of alpha radiolysis that has previously received limited attention.

  2. Dielectric coatings on metal substrates

    International Nuclear Information System (INIS)

    Glaros, S.S.; Baker, P.; Milam, D.

    1976-01-01

    Large aperture, beryllium substrate-based mirrors have been used to focus high intensity pulsed laser beams. Finished surfaces have high reflectivity, low wavefront distortion, and high laser damage thresholds. This paper describes the development of a series of metallic coatings, surface finishing techniques, and dielectric overcoatings to meet specified performance requirements. Beryllium substrates were coated with copper, diamond-machined to within 5 micro-inches to final contour, nickel plated, and abrasively figured to final contour. Bond strengths for several bonding processes are presented. Dielectric overcoatings were deposited on finished multimetallic substrates to increase both reflectivity and the damage thresholds. Coatings were deposited using both high and low temperature processes which induce varying stresses in the finished coating substrate system. Data are presented to show the evolution of wavefront distortion, reflectivity, and damage thresholds throughout the many steps involved in fabrication

  3. High temperature measurements of the microwave dielectric properties of ceramics

    International Nuclear Information System (INIS)

    Baeraky, T.A.

    1999-06-01

    Equipment has been developed for the measurement of dielectric properties at high temperature from 25 to 1700 deg. C in the microwave frequency range 614.97 to 3620.66 MHz using the cavity perturbation technique, to measure the permittivity of a range of ceramic materials. The complex permittivities of the standard materials, water and methanol, were measured at low temperature and compared with the other published data. A statistical analysis was made for the permittivity measurements of water and methanol using sample holders of different diameter. Also the measurements of these materials were used to compare the simple perturbation equation with its modifications and alternation correction methods for sample shape and the holes at the two endplates of the cavity. The dielectric properties of solid materials were investigated from the permittivity measurements on powder materials, shown in table 4.7, using the dielectric mixture equations. Two kinds of ceramics, oxide and nitrides, were selected for the high temperature dielectric measurements in microwave frequency ranges. Pure zirconia, yttria-stabilised zirconia, and Magnesia-stabilised zirconia are the oxide ceramics while aluminium nitride and silicon nitride are the nitride ceramics. A phase transformation from monoclinic to tetragonal was observed in pure zirconia in terms of the complex permittivity measurements, and the conduction mechanism in three regions of temperature was suggested to be ionic in the first region and a mixture of ionic and electronic in the second. The phase transition disappeared with yttria-stabilised zirconia but it was observed with magnesia-stabilised zirconia. Yttria doped zirconia was fully stabilised while magnesia stabilised was partially stabilised zirconia. The dielectric property measurements of aluminium nitride indicated that there is a transition from AIN to AlON, which suggested that the external layer of the AIN which was exposed to the air, contains alumina. It was

  4. Nitrobenzene anti-parallel dimer formation in non-polar solvents

    Directory of Open Access Journals (Sweden)

    Toshiyuki Shikata

    2014-06-01

    Full Text Available We investigated the dielectric and depolarized Rayleigh scattering behaviors of nitrobenzene (NO2-Bz, which is a benzene mono-substituted with a planar molecular frame bearing the large electric dipole moment 4.0 D, in non-polar solvents solutions, such as tetrachloromethane and benzene, at up to 3 THz for the dielectric measurements and 8 THz for the scattering experiments at 20 °C. The dielectric relaxation strength of the system was substantially smaller than the proportionality to the concentration in a concentrated regime and showed a Kirkwood correlation factor markedly lower than unity; gK ∼ 0.65. This observation revealed that NO2-Bz has a tendency to form dimers, (NO2-Bz2, in anti-parallel configurations for the dipole moment with increasing concentration of the two solvents. Both the dielectric and scattering data exhibited fast and slow Debye-type relaxation modes with the characteristic time constants ∼7 and ∼50 ps in a concentrated regime (∼15 and ∼30 ps in a dilute regime, respectively. The fast mode was simply attributed to the rotational motion of the (monomeric NO2-Bz. However, the magnitude of the slow mode was proportional to the square of the concentration in the dilute regime; thus, the mode was assigned to the anti-parallel dimer, (NO2-Bz2, dissociation process, and the slow relaxation time was attributed to the anti-parallel dimer lifetime. The concentration dependencies of both the dielectric and scattering data show that the NO2-Bz molecular processes are controlled through a chemical equilibrium between monomers and anti-parallel dimers, 2NO2-Bz ↔ (NO2-Bz2, due to a strong dipole-dipole interaction between nitro groups.

  5. Asymmetric Dielectric Elastomer Composite Material

    Science.gov (United States)

    Stewart, Brian K. (Inventor)

    2014-01-01

    Embodiments of the invention provide a dielectric elastomer composite material comprising a plurality of elastomer-coated electrodes arranged in an assembly. Embodiments of the invention provide improved force output over prior DEs by producing thinner spacing between electrode surfaces. This is accomplished by coating electrodes directly with uncured elastomer in liquid form and then assembling a finished component (which may be termed an actuator) from coated electrode components.

  6. Coherent multimoded dielectric wakefield accelerators

    International Nuclear Information System (INIS)

    Power, J.

    1998-01-01

    There has recently been a study of the potential uses of multimode dielectric structures for wakefield acceleration [1]. This technique is based on adjusting the wakefield modes of the structure to constructively interfere at certain delays with respect to the drive bunch, thus providing an accelerating gradient enhancement over single mode devices. In this report we examine and attempt to clarify the issues raised by this work in the light of the present state of the art in wakefield acceleration

  7. Photostability of solutions of rare earth chelates in organic solvents and polymers

    International Nuclear Information System (INIS)

    Karasev, V.E.; Mirochnik, A.G.; Lysun, T.V.; Vovna, V.I.

    1990-01-01

    Consideration is given to results of comparative study of photochemical properties of rare erath chelate complexes (adducts of rare earth β-diketonates with triphenylphosphine oxide, hexamethylphosphotriamide, phenanthroline) in organic solvents and polymers. Effect of excitation conditions, composition, solvent, nature of ligand and rare earth ion on photolysis rate was investigated. 9 refs.; 2 figs.; 4 tabs

  8. Multiple sclerosis and organic solvents

    DEFF Research Database (Denmark)

    Mortensen, J T; Brønnum-Hansen, Henrik; Rasmussen, K

    1998-01-01

    We investigated a possible causal relation between exposure to organic solvents in Danish workers (housepainters, typographers/printers, carpenters/cabinetmakers) and onset of multiple sclerosis. Data on men included in the Danish Multiple Sclerosis Register (3,241 men) were linked with data from......, and butchers. Over a follow-up period of 20 years, we observed no increase in the incidence of multiple sclerosis among men presumed to be exposed to organic solvents. It was not possible to obtain data on potential confounders, and the study design has some potential for selection bias. Nevertheless......, the study does not support existing hypotheses regarding an association between occupational exposure to organic solvents and multiple sclerosis....

  9. Indium recovery by solvent extraction

    International Nuclear Information System (INIS)

    Fortes, Marilia Camargos Botelho

    1999-04-01

    Indium has been recovered as a byproduct from residues generated from the sulfuric acid leaching circuits in mineral plants for zinc recovery. Once its recovery comes from the slags of other metals recovery, it is necessary to separate it from the other elements which usually are present in high concentrations. Many works have been approaching this separation and indicate the solvent extraction process as the main technique used. In Brazilian case, indium recovery depends on the knowledge of this technique and its development. This paper describes the solvent extraction knowledge for the indium recovery from aqueous solutions generated in mineral plants. The results for determination of the best experimental conditions to obtain a high indium concentration solution and minimum iron poisoning by solvent extraction with di (2-ethylhexyl)-phosphoric acid (D2EHPA) solubilized in isoparafin and exxsol has been presented. (author)

  10. Energy storage in ceramic dielectrics

    International Nuclear Information System (INIS)

    Love, G.R.

    1990-01-01

    Historically, multilayer ceramic capacitors (MLC's) have not been considered for energy storage applications for two primary reasons. First, physically large ceramic capacitors were very expensive and, second, total energy density obtainable was not nearly so high as in electrolytic capacitor types. More recently, the fabrication technology for MLC's has improved significantly, permitting both significantly higher energy density and significantly lower costs. Simultaneously, in many applications, total energy storage has become smaller, and the secondary requirements of very low effective series resistance and effective series inductance (which, together, determine how efficiently the energy may be stored and recovered) have become more important. It is therefore desirable to reexamine energy storage in ceramics for contemporary commercial and near-commercial dielectrics. Stored energy is proportional to voltage squared only in the case of paraelectric insulators, because only they have capacitance that is independent of bias voltage. High dielectric constant materials, however, are ferroics (that is ferroelectric and/or antiferroelectric) and display significant variation of effective dielectric constant with bias voltage

  11. Dielectric-filled radiofrequency linacs

    Energy Technology Data Exchange (ETDEWEB)

    Faehl, R J; Keinigs, R K; Pogue, E W [Los Alamos National Lab., NM (United States)

    1997-12-31

    High current, high brightness electron beam accelerators promise to open up dramatic new applications. Linear induction accelerators are currently viewed as the appropriate technology for these applications. A concept by Humphries and Hwang may permit radiofrequency accelerators to fulfill the same functions with greater simplicity and enhanced flexibility. This concept involves the replacement of vacuum rf cavities with dielectric filled ones. Simple analysis indicates that the resonant frequencies are reduced by a factor of ({epsilon}{sub 0}/{epsilon}){sup 1/2} while the stored energy is increased by {epsilon}/{epsilon}{sub 0}. For a high dielectric constant like water, this factor can approach 80. A series of numerical calculations of simple pill-box cavities was performed. Eigenfunctions and resonant frequencies for a full system configuration, including dielectric material, vacuum beamline, and a ceramic window separating the two have been computed. These calculations are compared with the results of a small experimental cavity which have been constructed and operated. Low power tests show excellent agreement. (author). 4 figs., 8 refs.

  12. Switchover of reactions of solvated electrons with nitrate ions and ammonium ions in propanol-water solvents

    International Nuclear Information System (INIS)

    Kang, T.B.; Freeman, G.R.

    1993-01-01

    The reaction rate constants of e s - with ammonium nitrate (∼0.1 mol m -3 ) in 1-propanol-water and 2-propanol-water binary solvents correspond to [e s - + (NO 3 - ) s ] reaction in the water-rich solvents, and to [e s - + (NH 4 + ) s ] reaction in alcohol-rich solvents. The overall rate constant is smaller in solvents with 40-99 mol% water, with a minimum at 70 mol% water. The Arrhenius temperature coefficient is 26 kJ mol -1 in each pure propanol solvent, increases to 29 kJ mol -1 at 40 mol% water, then decreases to 17 kJ mol -1 in pure water solvent. The high reaction rates in the single component solvents, alcohol or water, are limited mainly by solvent processes related to shear viscosity (diffusion) and dielectric relaxation (dipole reorientation). Rate constants reported for concentrated solutions (50-1000 mol m -3 ) of ammonium and nitrate salts in methanol have been quantitatively reinterpreted in terms of the ion atmosphere model. 28 refs., 5 figs., 2 tabs

  13. Solvent sorting in (mixed solvent electrolyte) systems: Time-resolved ...

    Indian Academy of Sciences (India)

    lar solvents as an effective single component dipo- lar liquid that is characterized ... and time (t) dependent solvation energy of mobile dipo- lar solute with density ..... Even though this way for modification of C is purely ad- hoc, the observation ...

  14. Demonstrating the application of dielectric polymer actuators for tactile feedback in a mobile consumer device.

    NARCIS (Netherlands)

    Moessinger, H.M.; Brokken, D.

    2010-01-01

    User interfaces of mobile consumer devices are becoming increasingly complex. To address this complexity touch-screen interfaces are used. They allow flexible design of the user interfaces but lack the tactile feedback mechanical buttons provide, limiting ease of use. Dielectric Elastomer Actuator

  15. Behaviour of ruthenium (3) bromocomplexes in nonaqueous solvents

    International Nuclear Information System (INIS)

    Rudnitskaya, O.V.; Miroshnichenko, I.V.; Pichkov, V.N.

    1989-01-01

    Behaviour of K 3 [RuBr 6 ] · H 2 O and K 3 [Ru 2 Br 9 ] in solutions of dimethylsulfoxide and dimethylformamide is investigated by absorption and ESR spectroscopy. Complexes are shown to be labile in solutions, interact easily with solvents. Formation of ruthenium (3) and (2) bromide-dimethylsulfoxide complexes occurs gradually in DMSO, final product is trans-[Ru(DMSO) 4 Br 2

  16. Terahertz-frequency dielectric response of liquids

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd; Møller, Uffe; Cooke, David

    The dielectric response of liquids spans many decades in frequency. The dielectric response of a polar liquid is typically determined by relaxational dynamics of the dipolar moments of the liquid. In contrast, the dielectric response of a nonpolar liquid is determined by much weaker collision......-induced dipole moments. In the polar liquid water the fastest relaxational dynamics is found at terahertz frequencies, just below the first intermolecular vibrational and librational modes. In this presentation we will discuss optical terahertz spectroscopic techniques for measurement of the full dielectric...... function of liquids at terahertz frequencies. We will review the current understanding of the high-frequency dielectric spectrum of water, and discuss the relation between the dielectric spectrum and the thermodynamic properties of certain aqueous solutions....

  17. Effect of silver nanoparticles on the dielectric properties of holmium doped silica glass

    International Nuclear Information System (INIS)

    Rejikumar, P.R.; Jyothy, P.V.; Mathew, Siby; Thomas, Vinoy; Unnikrishnan, N.V.

    2010-01-01

    The effect of silver nanoparticle co-doping on the dielectric properties of holmium doped silica glasses was studied. Silver nanoparticles of size between 20 and 22 nm were produced by the sol-gel technique. One of the samples showed an icosahedral morphology of the nanocrystal formed, along with spherical morphology. It was found that the tuning of the dielectric constant values could be accomplished by co-doping. The sample, with 1 wt% of Ho, had low dielectric constant values within the range 100 Hz-3 MHz due to the formation of quasi-molecular structures of holmium. This effect was evaded to some extent with silver co-doping as a result of the interdispersion of holmium complexes. Also it was found that the co-doping produced a higher dielectric loss which was calculated from the tan δ-log f graph. The Cole-Cole parameters and the Jonscher power law parameters were also calculated and are presented.

  18. Dielectric and impedance spectral characteristics of bulk ZnIn2Se4

    Science.gov (United States)

    El-Nahass, M. M.; Attia, A. A.; Salem, G. F.; Ali, H. A. M.; Ismail, M. I.

    2014-02-01

    The frequency and temperature dependence of ac conductivity, dielectric constant and dielectric loss of ZnIn2Se4 in a pellet form were investigated in the frequency range of 102-106 Hz and temperature range of 293-356 K. The behavior of ac conductivity was interpreted by the correlated barrier hopping (CBH) model. Temperature dependence of ac conductivity indicates that ac conduction is a thermally activated process. The density of localized states N(EF) and ac activation energy were estimated for various frequencies. Dielectric constant and dielectric loss showed a decrease with increasing frequency and an increase with increasing in temperature. The frequency dependence of real and imaginary parts of the complex impedance was investigated. The relaxation time decreases with the increase in temperature. The impedance spectrum exhibits the appearance of the single semicircular arc. The radius of semicircular arcs decreases with increasing temperature which suggests a mechanism of temperature-dependent on relaxation.

  19. Temperature and directional dependences of the infrared dielectric function of free standing silicon nanowire

    Energy Technology Data Exchange (ETDEWEB)

    Kazan, M.; Bruyant, A.; Sedaghat, Z.; Arnaud, L.; Blaize, S.; Royer, P. [Laboratoire de Nanotechnologie et d' Instrumentation Optique, Institut Charles Delaunay, Universite de Technologie de Troyes, CNRS FRE 2848, 12 Rue Marie Curie, 10010 Troyes, Cedex (France)

    2011-03-15

    An approach to calculate the infrared dielectric function of semiconductor nanostructures is presented and applied to silicon (Si) nanowires (NW's). The phonon modes symmetries and frequencies are calculated by means of the elastic continuum medium theory. The modes strengths and damping are calculated from a model for lattice dynamics and perturbation theory. The data are used in anisotropic Lorentz oscillator model to generate the temperature and directional dependences of the infrared dielectric function of free standing Si NW's. Our results showed that in the direction perpendicular to the NW axis, the complex dielectric function is identical to that of bulk Si. However, along the NW axis, the infrared dielectric function is a strong function of the wavelength. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Precise microwave characterization of MgO substrates for HTS circuits with superconducting post dielectric resonator

    International Nuclear Information System (INIS)

    Mazierska, Janina; Ledenyov, Dimitri; Jacob, Mohan V; Krupka, Jerzy

    2005-01-01

    Accurate data of complex permittivity of dielectric substrates are needed for efficient design of HTS microwave planar circuits. We have tested MgO substrates from three different manufacturing batches using a dielectric resonator with superconducting parts recently developed for precise microwave characterization of laminar dielectrics at cryogenic temperatures. The measurement fixture has been fabricated using a SrLaAlO 3 post dielectric resonator with DyBa 2 Cu 3 O 7 end plates and silver-plated copper sidewalls to achieve the resolution of loss tangent measurements of 2 x 10 -6 . The tested MgO substrates exhibited the average relative permittivity of 9.63 and tanδ from 3.7 x 10 -7 to 2 x 10 -5 at frequency of 10.5 GHz in the temperature range from 14 to 80 K

  1. Precise microwave characterization of MgO substrates for HTS circuits with superconducting post dielectric resonator

    Energy Technology Data Exchange (ETDEWEB)

    Mazierska, Janina [Institute of Information Sciences and Technology, Massey University, Palmerston North, P. Bag 11222 (New Zealand); Ledenyov, Dimitri [Electrical and Computer Engineering, James Cook University, Townsville, Q4811 (Australia); Jacob, Mohan V [Electrical and Computer Engineering, James Cook University, Townsville, Q4811 (Australia); Krupka, Jerzy [Instytut Mikroelektroniki i Optoelektroniki Politechniki Warszawskiej, Koszykowa 75, 00-662 Warsaw (Poland)

    2005-01-01

    Accurate data of complex permittivity of dielectric substrates are needed for efficient design of HTS microwave planar circuits. We have tested MgO substrates from three different manufacturing batches using a dielectric resonator with superconducting parts recently developed for precise microwave characterization of laminar dielectrics at cryogenic temperatures. The measurement fixture has been fabricated using a SrLaAlO{sub 3} post dielectric resonator with DyBa{sub 2}Cu{sub 3}O{sub 7} end plates and silver-plated copper sidewalls to achieve the resolution of loss tangent measurements of 2 x 10{sup -6}. The tested MgO substrates exhibited the average relative permittivity of 9.63 and tan{delta} from 3.7 x 10{sup -7} to 2 x 10{sup -5} at frequency of 10.5 GHz in the temperature range from 14 to 80 K.

  2. Recent progress in actinide and lanthanide solvent extraction

    International Nuclear Information System (INIS)

    Musikas, C.; Hubert, H.; Benjelloun, N.; Vitorge, P.; Bonnin, M.; Forchioni, A.; Chachaty, C.

    1983-04-01

    Work in progress on actinide solvent extraction is briefly reviewed in this paper. 1 H and 31 P NMR are used to elucidate several fundamental unsolved problems concerning organophosphorous extractants often used in actinides extraction: determination of site of dialkylthiophosphate protonation and addition of basic phosphine oxide to dibutylthiophosphoric acid dimer. Extraction of Am III and Eu from high radioactivity level wastes by tetrasubsituted methylene diamides is investigated. Trivalent actinide-lanthanide group are separated by solvent extraction using soft donor ligand complexes which are more stable. The synergism of dinonylnaphtalene sulfonic acid (HDNNS) associated with several neutral donors like TBP, TOPO, amides are examined in the trivalent and tetravalent actinide extraction

  3. Solvent extraction of uranium and molybdenum in sulfuric media

    International Nuclear Information System (INIS)

    Duarte Neto, J.

    1980-01-01

    A Solvent extraction process for recovering the uranium and molibdenum from the sulfuric acid solution produced from Figueira ores was developed. The leach solution contains molibdenum with a mean ratio Mo/U = 35%. THe solvent used was a terciary amine-Alamine 336, modified with tridecanol in querosine. An investigation was made to evaluate the variables affecting the extraction and stripping of uranium and molibdenum. The Alamine 336 showed a significant extraction power for uranium and molibdenum. In the stripping step of uranium using acidified sodium cloride it was observed the presence of an insoluble amine-molibdenum-arsenic complex. (author) [pt

  4. Development of a dielectric ceramic based on diatomite-titania part two: dielectric properties characterization

    Directory of Open Access Journals (Sweden)

    Medeiros Jamilson Pinto

    1998-01-01

    Full Text Available Dielectric properties of sintered diatomite-titania ceramics are presented. Specific capacitance, dissipation factor, quality factor and dielectric constant were determined as a function of sintering temperature, titania content and frequency; the temperature coefficient of capacitance was measured as a function of frequency. Besides leakage current, the dependence of the insulation resistance and the dielectric strength on the applied dc voltage were studied. The results show that diatomite-titania compositions can be used as an alternative dielectric.

  5. Electrical breakdown phenomena of dielectric elastomers

    DEFF Research Database (Denmark)

    Mateiu, Ramona Valentina; Yu, Liyun; Skov, Anne Ladegaard

    2017-01-01

    Silicone elastomers have been heavily investigated as candidates for dielectric elastomers and are as such almost ideal candidates with their inherent softness and compliance but they suffer from low dielectric permittivity. This shortcoming has been sought optimized by many means during recent...... years. However, optimization with respect to the dielectric permittivity solely may lead to other problematic phenomena such as premature electrical breakdown. In this work, we investigate the electrical breakdown phenomena of various types of permittivity-enhanced silicone elastomers. Two types...... of silicone elastomers are investigated and different types of breakdown are discussed. Furthermore the use of voltage stabilizers in silicone-based dielectric elastomers is investigated and discussed....

  6. Improved Purex solvent scrubbing methods

    International Nuclear Information System (INIS)

    Mailen, J.C.; Tallent, O.K.

    1984-01-01

    Studies of hydrazine and hydroxylamine salts as solvent scrubbing agents that can be decomposed into gases are summarized. Results from testing of countercurrent scrubbers and solid sorber columns that produce lesser amounts of permanent salts are reported. The status of studies of the acid-degradation of paraffin diluent and the options for removal of long-chain organic acids is given

  7. Risk assessment for halogenated solvents

    International Nuclear Information System (INIS)

    Travis, C.C.

    1988-01-01

    A recent development in the cancer risk area is the advent of biologically based pharmacokinetic and pharmacodynamic models. These models allow for the incorporation of biological and mechanistic data into the risk assessment process. These advances will not only improve the risk assessment process for halogenated solvents but will stimulate and guide basic research in the biological area

  8. Modifying Poisson equation for near-solute dielectric polarization and solvation free energy

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Pei-Kun, E-mail: peikun@isu.edu.tw

    2016-06-15

    Highlights: • We modify the Poisson equation. • The dielectric polarization was calculated from the modified Poisson equation. • The solvation free energies of the solutes were calculated from the dielectric polarization. • The calculated solvation free energies were similar to those obtained from MD simulations. - Abstract: The dielectric polarization P is important for calculating the stability of protein conformation and the binding affinity of protein–protein/ligand interactions and for exploring the nonthermal effect of an external electric field on biomolecules. P was decomposed into the product of the electric dipole moment per molecule p; bulk solvent density N{sub bulk}; and relative solvent molecular density g. For a molecular solute, 4πr{sup 2}p(r) oscillates with the distance r to the solute, and g(r) has a large peak in the near-solute region, as observed in molecular dynamics (MD) simulations. Herein, the Poisson equation was modified for computing p based on the modified Gauss’s law of Maxwell’s equations, and the potential of the mean force was used for computing g. For one or two charged atoms in a water cluster, the solvation free energies of the solutes obtained by these equations were similar to those obtained from MD simulations.

  9. Silicone elastomers with high dielectric permittivity and high dielectric breakdown strength based on dipolar copolymers

    DEFF Research Database (Denmark)

    Madsen, Frederikke Bahrt; Yu, Liyun; Daugaard, Anders Egede

    2014-01-01

    Dielectric elastomers (DES) are a promising new transducer technology, but high driving voltages limit their current commercial potential. One method used to lower driving voltage is to increase dielectric permittivity of the elastomer. A novel silicone elastomer system with high dielectric...

  10. Handbook on dielectric and thermal properties of microwaveable materials

    CERN Document Server

    Komarov, Vyacheslav V

    2012-01-01

    The application of microwave energy for thermal processing of different materials and substances is a rapidly growing trend in modern science and engineering. In fact, optimal design work involving microwaves is impossible without solid knowledge of the properties of these materials. Here s a practical reference that collects essential data on the dielectric and thermal properties of microwaveable materials, saving you countless hours on projects in a wide range of areas, including microwave design and heating, applied electrodynamics, food science, and medical technology. This unique book provides hard-to-find information on complex dielectric permittivity of media at industrial, scientific, and medical frequencies (430 MHz, 915MHz, 2.45GHz, 5.8 GHz, and 24.125GHz). Written by a leading expert in the field, this authoritative book does an exceptional job at presenting critical data on various materials and explaining what their key characteristics are concerning microwaves.

  11. Non-Ideal Behavior in Solvent Extraction

    International Nuclear Information System (INIS)

    Zalupski, Peter

    2011-01-01

    This report presents a summary of the work performed to meet FCR and D level 3 milestone M31SW050801, 'Complete the year-end report summarizing FY11 experimental and modeling activities.' This work was carried out under the auspices of the Non-Ideality in Solvent Extraction Systems FCR and D work package. The report summarizes our initial considerations of potential influences that non-ideal chemistry may impose on computational prediction of outcomes in solvent extraction systems. The report is packaged into three separate test cases where a robustness of the prediction by SXFIT program is under scrutiny. The computational exercises presented here emphasize the importance of accurate representation of both an aqueous and organic mixtures when modeling liquid-liquid distribution systems. Case No.1 demonstrates that non-ideal behavior of HDEHP in aliphatic diluents, such as n-dodecane, interferes with the computation. Cases No.2 and No.3 focus on the chemical complexity of aqueous electrolyte mixtures. Both exercises stress the need for an improved thermodynamic model of an aqueous environment present in the europium distribution experiments. Our efforts for year 2 of this project will focus on the improvements of aqueous and non-aqueous solution models using fundamental physical properties of mixtures acquired experimentally in our laboratories.

  12. Non-Ideal Behavior in Solvent Extraction

    Energy Technology Data Exchange (ETDEWEB)

    Peter Zalupski

    2011-09-01

    This report presents a summary of the work performed to meet FCR&D level 3 milestone M31SW050801, 'Complete the year-end report summarizing FY11 experimental and modeling activities.' This work was carried out under the auspices of the Non-Ideality in Solvent Extraction Systems FCR&D work package. The report summarizes our initial considerations of potential influences that non-ideal chemistry may impose on computational prediction of outcomes in solvent extraction systems. The report is packaged into three separate test cases where a robustness of the prediction by SXFIT program is under scrutiny. The computational exercises presented here emphasize the importance of accurate representation of both an aqueous and organic mixtures when modeling liquid-liquid distribution systems. Case No.1 demonstrates that non-ideal behavior of HDEHP in aliphatic diluents, such as n-dodecane, interferes with the computation. Cases No.2 and No.3 focus on the chemical complexity of aqueous electrolyte mixtures. Both exercises stress the need for an improved thermodynamic model of an aqueous environment present in the europium distribution experiments. Our efforts for year 2 of this project will focus on the improvements of aqueous and non-aqueous solution models using fundamental physical properties of mixtures acquired experimentally in our laboratories.

  13. Effects of the Particle Size and the Solvent in Printing Inks on the Capacitance of Printed Parallel-Plate Capacitors

    Directory of Open Access Journals (Sweden)

    Sungsik Park

    2016-02-01

    Full Text Available Parallel-plate capacitors were fabricated using a printed multi-layer structure in order to determine the effects of particle size and solvent on the capacitance. The conductive-dielectric-conductive layers were sequentially spun using commercial inks and by intermediate drying with the aid of a masking polymeric layer. Both optical and scanning electron microscopy were used to characterize the morphology of the printed layers. The measured capacitance was larger than the theoretically calculated value when ink with small-sized particles was used as the top plate. Furthermore, the use of a solvent whose polarity was similar to that of the underlying dielectric layer enhanced the penetration and resulted in an increase in capacitance. The functional resistance-capacitance low-pass filter was implemented using printed resistors and capacitors, a process that may be scalable in the future.

  14. The relationship between chemical structure and dielectric properties of plasma-enhanced chemical vapor deposited polymer thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Hao [Materials Sci and Tech Applications, LLC, 409 Maple Springs Drive, Dayton OH 45458 (United States)]. E-mail: hao.jiang@wpafb.af.mil; Hong Lianggou [Materials Sci and Tech Applications, LLC, 409 Maple Springs Drive, Dayton OH 45458 (United States); Venkatasubramanian, N. [Research Institute, University of Dayton, 300 College Park, Dayton, OH 45469-0168 (United States); Grant, John T. [Research Institute, University of Dayton, 300 College Park, Dayton, OH 45469-0168 (United States); Eyink, Kurt [Air Force Research Laboratory, Materials Directorate, 3005 Hobson Way, Wright-Patterson Air Force Base, OH 45433-7707 (United States); Wiacek, Kevin [Air Force Research Laboratory, Propulsion Directorate, 1950 Fifth Street, Wright-Patterson Air Force Base, OH 45433-7251 (United States); Fries-Carr, Sandra [Air Force Research Laboratory, Propulsion Directorate, 1950 Fifth Street, Wright-Patterson Air Force Base, OH 45433-7251 (United States); Enlow, Jesse [Air Force Research Laboratory, Materials Directorate, 3005 Hobson Way, Wright-Patterson Air Force Base, OH 45433-7707 (United States); Bunning, Timothy J. [Air Force Research Laboratory, Materials Directorate, 3005 Hobson Way, Wright-Patterson Air Force Base, OH 45433-7707 (United States)

    2007-02-26

    Polymer dielectric films fabricated by plasma enhanced chemical vapor deposition (PECVD) have unique properties due to their dense crosslinked bulk structure. These spatially uniform films exhibit good adhesion to a variety of substrates, excellent chemical inertness, high thermal resistance, and are formed from an inexpensive, solvent-free, room temperature process. In this work, we studied the dielectric properties of plasma polymerized (PP) carbon-based polymer thin films prepared from two precursors, benzene and octafluorocyclobutane. Two different monomer feed locations, directly in the plasma zone or in the downstream region (DS) and two different pressures, 80 Pa (high pressure) or 6.7 Pa (low pressure), were used. The chemical structure of the PECVD films was examined by X-ray photoelectron spectroscopy and Fourier-transform infrared spectroscopy. The dielectric constant ({epsilon} {sub r}) and dielectric loss (tan {delta}) of the films were investigated over a range of frequencies up to 1 MHz and the dielectric strength (breakdown voltage) (F {sub b}) was characterized by the current-voltage method. Spectroscopic ellipsometry was performed to determine the film thickness and refractive index. Good dielectric properties were exhibited, as PP-benzene films formed in the high pressure, DS region showed a F{sub b} of 610 V/{mu}m, an {epsilon} {sub r} of 3.07, and a tan {delta} of 7.0 x 10{sup -3} at 1 kHz. The PECVD processing pressure has a significant effect on final film structure and the film's physical density has a strong impact on dielectric breakdown strength. Also noted was that the residual oxygen content in the PP-benzene films significantly affected the frequency dependences of the dielectric constant and loss.

  15. The relationship between chemical structure and dielectric properties of plasma-enhanced chemical vapor deposited polymer thin films

    International Nuclear Information System (INIS)

    Jiang Hao; Hong Lianggou; Venkatasubramanian, N.; Grant, John T.; Eyink, Kurt; Wiacek, Kevin; Fries-Carr, Sandra; Enlow, Jesse; Bunning, Timothy J.

    2007-01-01

    Polymer dielectric films fabricated by plasma enhanced chemical vapor deposition (PECVD) have unique properties due to their dense crosslinked bulk structure. These spatially uniform films exhibit good adhesion to a variety of substrates, excellent chemical inertness, high thermal resistance, and are formed from an inexpensive, solvent-free, room temperature process. In this work, we studied the dielectric properties of plasma polymerized (PP) carbon-based polymer thin films prepared from two precursors, benzene and octafluorocyclobutane. Two different monomer feed locations, directly in the plasma zone or in the downstream region (DS) and two different pressures, 80 Pa (high pressure) or 6.7 Pa (low pressure), were used. The chemical structure of the PECVD films was examined by X-ray photoelectron spectroscopy and Fourier-transform infrared spectroscopy. The dielectric constant (ε r ) and dielectric loss (tan δ) of the films were investigated over a range of frequencies up to 1 MHz and the dielectric strength (breakdown voltage) (F b ) was characterized by the current-voltage method. Spectroscopic ellipsometry was performed to determine the film thickness and refractive index. Good dielectric properties were exhibited, as PP-benzene films formed in the high pressure, DS region showed a F b of 610 V/μm, an ε r of 3.07, and a tan δ of 7.0 x 10 -3 at 1 kHz. The PECVD processing pressure has a significant effect on final film structure and the film's physical density has a strong impact on dielectric breakdown strength. Also noted was that the residual oxygen content in the PP-benzene films significantly affected the frequency dependences of the dielectric constant and loss

  16. Comparative Assessment of Nonlocal Continuum Solvent Models Exhibiting Overscreening

    Directory of Open Access Journals (Sweden)

    Ren Baihua

    2017-01-01

    Full Text Available Nonlocal continua have been proposed to offer a more realistic model for the electrostatic response of solutions such as the electrolyte solvents prominent in biology and electrochemistry. In this work, we review three nonlocal models based on the Landau-Ginzburg framework which have been proposed but not directly compared previously, due to different expressions of the nonlocal constitutive relationship. To understand the relationships between these models and the underlying physical insights from which they are derive, we situate these models into a single, unified Landau-Ginzburg framework. One of the models offers the capacity to interpret how temperature changes affect dielectric response, and we note that the variations with temperature are qualitatively reasonable even though predictions at ambient temperatures are not quantitatively in agreement with experiment. Two of these models correctly reproduce overscreening (oscillations between positive and negative polarization charge densities, and we observe small differences between them when we simulate the potential between parallel plates held at constant potential. These computations require reformulating the two models as coupled systems of local partial differential equations (PDEs, and we use spectral methods to discretize both problems. We propose further assessments to discriminate between the models, particularly in regards to establishing boundary conditions and comparing to explicit-solvent molecular dynamics simulations.

  17. Effects of dielectric inhomogeneity on electrostatic twist rigidity of a helical biomolecule in Debye-Hückel regime

    Science.gov (United States)

    Rezaie-Dereshgi, Amir; Mohammad-Rafiee, Farshid

    2018-04-01

    The electrostatic interactions play a crucial role in biological systems. Here we consider an impermeable dielectric molecule in the solvent with a different dielectric constant. The electrostatic free energy in the problem is studied in the Debye-Hückel regime using the analytical Green function that is calculated in the paper. Using this electrostatic free energy, we study the electrostatic contribution to the twist rigidity of a double stranded helical molecule such as a DNA and an actin filament. The dependence of the electrostatic twist rigidity of the molecule to the dielectric inhomogeneity, structural parameters, and the salt concentration is studied. It is shown that, depending on the parameters, the electrostatic twist rigidity could be positive or negative.

  18. Ferroelectric dielectrics integrated on silicon

    CERN Document Server

    Defay, Emmanuel

    2013-01-01

    This book describes up-to-date technology applied to high-K materials for More Than Moore applications, i.e. microsystems applied to microelectronics core technologies.After detailing the basic thermodynamic theory applied to high-K dielectrics thin films including extrinsic effects, this book emphasizes the specificity of thin films. Deposition and patterning technologies are then presented. A whole chapter is dedicated to the major role played in the field by X-Ray Diffraction characterization, and other characterization techniques are also described such as Radio frequency characterizat

  19. Ionic Structure at Dielectric Interfaces

    Science.gov (United States)

    Jing, Yufei

    The behavior of ions in liquids confined between macromolecules determines the outcome of many nanoscale assembly processes in synthetic and biological materials such as colloidal dispersions, emulsions, hydrogels, DNA, cell membranes, and proteins. Theoretically, the macromolecule-liquid boundary is often modeled as a dielectric interface and an important quantity of interest is the ionic structure in a liquid confined between two such interfaces. The knowledge gleaned from the study of ionic structure in such models can be useful in several industrial applications, such as biosensors, lithium-ion batteries double-layer supercapacitors for energy storage and seawater desalination. Electrostatics plays a critical role in the development of such functional materials. Many of the functions of these materials, result from charge and composition heterogeneities. There are great challenges in solving electrostatics problems in heterogeneous media with arbitrary shapes because electrostatic interactions remains unknown but depend on the particular density of charge distributions. Charged molecules in heterogeneous media affect the media's dielectric response and hence the interaction between the charges is unknown since it depends on the media and on the geometrical properties of the interfaces. To determine the properties of heterogeneous systems including crucial effects neglected in classical mean field models such as the hard core of the ions, the dielectric mismatch and interfaces with arbitrary shapes. The effect of hard core interactions accounts properly for short range interactions and the effect of local dielectric heterogeneities in the presence of ions and/or charged molecules for long-range interactions are both analyzed via an energy variational principle that enables to update charges and the medium's response in the same simulation time step. In particular, we compute the ionic structure in a model system of electrolyte confined by two planar dielectric

  20. Broadband cloaking using composite dielectrics

    Directory of Open Access Journals (Sweden)

    Ruey-Bing Hwang

    2011-03-01

    Full Text Available In this paper, we present a novel cloaking structure that is able to make a metallic block invisible in a metallic waveguide. Such a cloak is made up of a stack of commonly used dielectric slabs. We carry out the numerical simulation and observe the detour of the vector Poynting power through the cloak. Moreover, the experiment is conducted for measuring the scattering characteristics including the reflection and transmission coefficients. The great improvement in the transmission coefficient in a broad bandwidth after cloaking is demonstrated. Significantly, the theory of mode conversion is developed for explaining the cloaking phenomenon.

  1. The salting-out of molibdoferrats(II from aqueous solutions by the organic solvents

    Directory of Open Access Journals (Sweden)

    Mykola V. Nikolenko

    2016-12-01

    Full Text Available The aim of this work was to develop a method for producing of molybdoferrate(II precipitates by salting-out them from aqueous solutions by means of organic solvents. Dependence of the composition of molybdoferrate(II precipitates on the pH of the reaction solutions was studied. Experiments on salting-out of molybdoferrate(II with various organic solvents were carried out. As a result it was found that the best reagent for the molybdoferrate(II salting-out is acetone. By its use, lowest quantity of the ammonium sulfate impurities was obtained. It is also of importance that by using of acetone the process of regeneration by distillation of the reaction solutions is characterized by the lowest energy consumption. A functional relationship between the solubility of molybdoferrates(II and dielectric constant of the medium was established. By increasing the dielectric constant of the solvent solubility of molybdoferrates(II rapidly increases. The linearized dependence ln(lnS–ln(1/e was proposed to predict the solubility of molybdoferrates(II in various aqueous-organic solutions.

  2. High thermal conductivity lossy dielectric using a multi layer configuration

    Science.gov (United States)

    Tiegs, Terry N.; Kiggans, Jr., James O.

    2003-01-01

    Systems and methods are described for loss dielectrics. A loss dielectric includes at least one high dielectric loss layer and at least one high thermal conductivity-electrically insulating layer adjacent the at least one high dielectric loss layer. A method of manufacturing a loss dielectric includes providing at least one high dielectric loss layer and providing at least one high thermal conductivity-electrically insulating layer adjacent the at least one high dielectric loss layer. The systems and methods provide advantages because the loss dielectrics are less costly and more environmentally friendly than the available alternatives.

  3. Iodine removing method in organic solvent

    International Nuclear Information System (INIS)

    Suzuki, Takeo; Sakurai, Manabu

    1988-01-01

    Purpose: To effectively remove iodine in an organic solvent to thereby remove iodine in the solvent that can be re-used or put to purning treatment. Method: Organic solvent formed from wastes of nuclear facilities is mixed with basic lead acetate, or silica gel or activated carbon incorporated with such a compound to adsorb iodine in the organic solvent to the basic lead acetate. Then, iodine in the organic solvent is removed by separating to eliminate the basic lead acetate adsorbing iodine from the organic solvent or by passing the organic solvent through a tower or column charged or pre-coated with silica gel or activated carbon incorporated with lead acetate. By using basic lead acetate as the adsorbents, iodine can effective by adsorbed and eliminated. Thus, the possibility of circumstantial release of iodine can be reduced upon reusing or burning treatment of the organic solvent. (Kamimura, M.)

  4. Computer Aided Solvent Selection and Design Framework

    DEFF Research Database (Denmark)

    Mitrofanov, Igor; Conte, Elisa; Abildskov, Jens

    and computer-aided tools and methods for property prediction and computer-aided molecular design (CAMD) principles. This framework is applicable for solvent selection and design in product design as well as process design. The first module of the framework is dedicated to the solvent selection and design...... in terms of: physical and chemical properties (solvent-pure properties); Environment, Health and Safety (EHS) characteristic (solvent-EHS properties); operational properties (solvent–solute properties). 3. Performing the search. The search step consists of two stages. The first is a generation and property...... identification of solvent candidates using special software ProCAMD and ProPred, which are the implementations of computer-aided molecular techniques. The second consists of assigning the RS-indices following the reaction–solvent and then consulting the known solvent database and identifying the set of solvents...

  5. Canyon solvent cleaning with solid adsorbents

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    The HM Process at the Savannah River Plant (SRP) uses 7.5% tributyl phosphate in n-paraffin as an extraction solvent. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, product decontamination, and separation efficiencies. Laboratory studies to improve online solvent cleaning have shown that carbonate washing, although removing residual solvent activity, does not remove binding ligands that hold fission products in the solvent. Treatment of solvent with a solid adsorbent removes binding ligands and significantly improves recycle solvent performance. Both laboratory work defining a full-scale adsorption process and the use of the process to clean HM Process first cycle solvent are presented

  6. Ionic magnetic fluids in polar solvents with tuned counter-ions

    Energy Technology Data Exchange (ETDEWEB)

    Lopes Filomeno, C. [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Lab. PHENIX, Paris (France); Grupo de Fluidos Complexos Inst. de Quimica, Univ. de Brasília, Brasília (DF) (Brazil); Kouyaté, M. [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Lab. PHENIX, Paris (France); Cousin, F. [Lab. Léon Brillouin – CE-Saclay, Gif-sur-Yvette (France); Demouchy, G. [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Lab. PHENIX, Paris (France); Dpt de physique, Univ. de Cergy Pontoise, Cergy-Pontoise (France); Dubois, E.; Michot, L.; Mériguet, G. [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Lab. PHENIX, Paris (France); Perzynski, R., E-mail: regine.perzynski@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Lab. PHENIX, Paris (France); Peyre, V.; Sirieix-Plénet, J. [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Lab. PHENIX, Paris (France); Tourinho, F.A. [Grupo de Fluidos Complexos Inst. de Quimica, Univ. de Brasília, Brasília (DF) (Brazil)

    2017-06-01

    The aim of the present study is to propose a new reproducible method for preparing colloidal dispersions of electrostatically charged nanoparticles (NPs) in polar solvents with different kinds of counter-ions. Maghemite NPs are here dispersed in solvents of different dielectric constant, namely water, dimethylsulfoxide (DMSO) and an ionic liquid, ethylammonium nitrate (EAN). If the existence of a NP superficial charge happens to be necessary for the colloidal stability of the dispersions in these three solvents, the standard DLVO theory cannot be used any more to describe the colloidal stability in EAN. The structure of the dispersions and the strength of the interparticle repulsion are investigated by small angle X-ray scattering measurements, in association with Ludwig–Soret coefficient determinations. Specificities, associated to the nature of the counter-ions are identified in this work on the colloidal stability, on the interparticle repulsion and on the Ludwig–Soret coefficient. - Highlights: • A controlled synthesis of ionic magnetic fluids in three polar solvents is proposed. • Colloidal repulsion in the magnetic fluids depends on the counter-ion nature. • Soret coefficient of citrate-coated maghemite nanoparticles is probed in water-pH7. • Thermophilicity of nanoparticles depends on the nature of their counter-ions. • Nanoparticles dressed with same counter-ions have solvent-dependent thermoproperties.

  7. Enhancing Self-Assembly in Cellulose Nanocrystal Suspensions Using High-Permittivity Solvents.

    Science.gov (United States)

    Bruckner, Johanna R; Kuhnhold, Anja; Honorato-Rios, Camila; Schilling, Tanja; Lagerwall, Jan P F

    2016-09-27

    Helical liquid crystal self-assembly in suspensions of cellulose nanocrystals (CNCs), bioderived nanorods exhibiting excellent mechanical and optical properties, opens attractive routes to sustainable production of advanced functional materials. For convenience, in most studies until now, the CNCs were suspended in water, leaving a knowledge gap concerning the influence of the solvent. Using a novel approach for aggregation-free solvent exchange in CNC suspensions, here we show that protic solvents with a high dielectric permittivity εr significantly speed up self-assembly (from days to hours) at high CNC mass fraction and reduce the concentration dependence of the helix period (variation reducing from more than 30 μm to less than 1 μm). Moreover, our computer simulations indicate that the degree of order at constant CNC content increases with increasing εr, leading to a shorter pitch and a reduced threshold for liquid crystallinity. In low-εr solvents, the onset of long-range orientational order is coupled to kinetic arrest, preventing the formation of a helical superstructure. Our results show that the choice of solvent is a powerful parameter for tuning the behavior of CNC suspensions, enhancing our ability to control the self-assembly and thereby harvesting valuable novel cellulose-based materials.

  8. Electrical properties and dielectric spectroscopy of Ar{sup +} implanted polycarbonate

    Energy Technology Data Exchange (ETDEWEB)

    Chawla, Mahak, E-mail: mahak.chawla@gmail.com; Shekhawat, Nidhi; Aggarwal, Sanjeev; Sharma, Annu [Department of Physics, Kurukshetra University, Kurukshetra - 136119 (India); Nair, K. G. M. [Consultant, UGC-DAE Consortium for Scientific Research, Kalpakkam Node, Kokilamedu-603104, Tamilnadu (India)

    2015-05-15

    The aim of the present paper is to study the effect of argon ion implantation on electrical and dielectric properties of polycarbonate. Specimens were implanted with 130 keV Ar{sup +} ions in the fluence ranging from 1×10{sup 14} to 1×10{sup 16} ions cm{sup −2}. The beam current used was ∼0.40 µA cm{sup −2}. The electrical conduction behaviour of virgin and Ar{sup +} implanted polycarbonate specimens have been studied through current-voltage (I-V characteristic) measurements. It has been observed that after implantation conductivity increases with increasing ion fluence. The dielectric spectroscopy of these specimens has been done in the frequency range of 100 kHz-100 MHz. Relaxation processes were studied by Cole-Cole plot of complex permittivity (real part of complex permittivity, ε′ vs. imaginary part of complex permittivity, ε″). The Cole-Cole plots have also been used to determine static dielectric constant (ε{sub s}), optical dielectric constant (ε{sub ∞}), spreading factor (α), average relaxation time (τ{sub 0}) and molecular relaxation time (τ). The dielectric behaviour has been found to be significantly affected due to Ar{sup +} implantation. The possible correlation between this behaviour and the changes induced by the implantation has been discussed.

  9. Rare oxidation states of group V metal compounds generated by radiolysis in non aqueous solvents: experimental and theoretical study. Attempts for synthesis of heterometallic complexes containing niobium and uranium or thorium

    International Nuclear Information System (INIS)

    Le Motais, B.

    1986-02-01

    Mononuclear and binuclear complexes of group V trivalent metals (V, Nb, Ta), coordinated with γ-picolin molecules and chlorine atoms, have been oxidized or reduced, respectively by the radical-ions CH 2 Cl 2 + or CH 3 CN - radiolytically generated in free-oxygen dichloromethane or acetonitrile. The mechanism of these reactions have been established from kinetic, spectroscopic data and in some cases, from EPR measurements and theoretical SWXα calculations. Some preliminary results about the reaction occurring between Cp 2 Nb-(CO)H and Cp 2 'M(CH 3 ) 2 (M=U or Th) (Cp = eta 5 - C 5 H 5 ; Cp = eta 5 - (C 5 (CH 3 ) 5 ) are also reported [fr

  10. Organogels thermodynamics, structure, solvent role, and properties

    CERN Document Server

    Guenet, Jean-Michel

    2016-01-01

    This book provides a physics-oriented introduction to organogels with a comparison to polymer thermoreversible gels whenever relevant. The past decade has seen the development of a wide variety of newly-synthesized molecules that can spontaneously self-assemble or crystallize from their organic or aqueous solutions to produce fibrillar networks, namely organogels, with potential applications in organic electronics, light harvesting, bio-imaging, non-linear optics, and the like. This compact volume presents a detailed outlook of these novel molecular systems with special emphasis upon their thermodynamics, morphology, molecular structure, and rheology. The definition of these complex systems is also tackled, as well as the role of the solvent. The text features numerous temperature-phase diagrams for a variety of organogels as well as illustrations of their structures at the microscopic, mesoscopic and macroscopic level. A review of some potential applications is provided including hybrid functional materials ...

  11. Thermally stimulated discharge current (TSDC) and dielectric ...

    Indian Academy of Sciences (India)

    Unknown

    2001-10-09

    Oct 9, 2001 ... Measurements of TSDC and dielectric constant, ε′, have been ... Keywords. Semiconducting glass; TSDC; trap energy; dielectric constant. 1. ... determination of mean depth of the internal charge, activation ... thermal charging, viz. (i) internal ... the basis of d.c. conductivity and short range Na+ ion motion.

  12. Dielectric material options for integrated capacitors

    NARCIS (Netherlands)

    Ruhl, G.; Lehnert, W.; Lukosius, M.; Wenger, C.; Baristiran Kaynak, C.; Blomberg, T.; Haukka, S.; Baumann, P.K.; Besling, W.F.A.; Roest, A.L.; Riou, B.; Lhostis, S.; Halimaou, A.; Roozeboom, F.; Langereis, E.; Kessels, W.M.M.; Zauner, A.; Rushworth, S.A.

    2014-01-01

    Future MIM capacitor generations will require significantly increased specific capacitances by utilization of high-k dielectric materials. In order to achieve high capacitance per chip area, these dielectrics have to be deposited in three-dimensional capacitor structures by ALD or AVD (atomic vapor

  13. Analysis of electron interactions in dielectric gases

    International Nuclear Information System (INIS)

    Olivet, Aurelio; Duque, Daniel; Vega, Lourdes F.

    2007-01-01

    We present and discuss results concerning electron interactions processes of dielectric gases and their relationship with the macroscopic behavior of these gases, in particular, with their dielectric strength. Such analysis is based on calculating energies of reactions for molecular ionization, dissociative ionization, parent negative ion formation, and dissociative electron attachment processes. We hypothesize that the estimation of the required energy for a reduced number of processes that take place in electrically stressed gases could be related to the gas' capability to manage the electron flow during an electrical discharge. All calculations were done with semiempirical quantum chemistry methods, including an initial optimization of molecular geometry and heat of formation of the dielectric gases and all of species that appear during electron interaction reactions. The performance of semiempirical methods Austin model 1 and Parametric model 3 (PM3) was compared for several compounds, PM3 being superior in most cases. Calculations performed for a sample of nine dielectric gases show that electron attachment and detachment processes occur in different energy bands that do not overlap for any value of the dielectric strength. We have also analyzed the relationship between dielectric strength and two physical properties: electron affinity and ionization energy. Calculations performed for 43 dielectric gases show no clear correlation between them, although certain guidelines for the qualitative estimation of dielectric strength can still be assessed

  14. Aging of Dielectric Properties below Tg

    DEFF Research Database (Denmark)

    Olsen, Niels Boye; Dyre, Jeppe; Christensen, Tage Emil

    The dielectric loss at 1Hz in TPP is studied during a temperature step from one equilibrium state to another. In the applied cryostate the temperature can be equilibrated on a timescale of 1 second. The aging time dependence of the dielectric loss is studied below Tg applying temperature steps...

  15. Recent solvent extraction experience at Savannah River

    International Nuclear Information System (INIS)

    Gray, L.W.; Burney, G.A.; Gray, J.H.; Hodges, M.E.; Holt, D.L.; Macafee, I.M.; Reif, D.J.; Shook, H.E.

    1986-01-01

    Tributyl phosphate-based solvent extraction processes have been used at Savannah River for more than 30 years to separate and purify thorium, uranium, neptunium, plutonium, americium, and curium isotopes. This report summarizes the advancement of solvent extraction technology at Savannah River during the 1980's. Topics that are discussed include equipment improvements, solvent treatment, waste reduction, and an improved understanding of the various chemistries in the process streams entering, within, and leaving the solvent extraction processes

  16. Solvent extraction studies of RERTR silicide fuels

    International Nuclear Information System (INIS)

    Gouge, Anthony P.

    1983-01-01

    Uranium silicide fuels, which are candidate RERTR fuel compositions, may require special considerations in solvent extraction reprocessing. Since Savannah River Plant may be reprocessing RERTR fuels as early as 1985, studies have been conducted at Savannah River Laboratory to demonstrate the solvent extraction behavior of this fuel. Results of solvent extraction studies with both unirradiated and irradiated fuel are presented along with the preliminary RERTR solvent extraction reprocessing flow sheet for Savannah River Plant. (author)

  17. Supercapacitor Electrolyte Solvents with Liquid Range Below -80 C

    Science.gov (United States)

    Brandon, Erik; Smart, Marshall; West, William

    2010-01-01

    A previous NASA Tech Brief ["Low-Temperature Supercapacitors" (NPO-44386) NASA Tech Briefs, Vol. 32, No 7 (July 2008), page 32] detailed ongoing efforts to develop non-aqueous supercapacitor electrolytes capable of supporting operation at temperatures below commercially available cells (which are typically limited to charging and discharging at > or equal to -40 C). These electrolyte systems may enable energy storage and power delivery for systems operating in extreme environments, such as those encountered in the Polar regions on Earth or in the exploration of space. Supercapacitors using these electrolytes may also offer improved power delivery performance at moderately low temperatures (e.g. -40 to 0 C) relative to currently available cells, offering improved cold-cranking and cold-weather acceleration capabilities for electrical or hybrid vehicles. Supercapacitors store charge at the electrochemical double-layer, formed at the interface between a high surface area electrode material and a liquid electrolyte. The current approach to extending the low-temperature limit of the electrolyte focuses on using binary solvent systems comprising a high-dielectric-constant component (such as acetonitrile) in conjunction with a low-melting-point co-solvent (such as organic formates, esters, and ethers) to depress the freezing point of the system, while maintaining sufficient solubility of the salt. Recent efforts in this area have led to the identification of an electrolyte solvent formulation with a freezing point of -85.7 C, which is achieved by using a 1:1 by volume ratio of acetonitrile to 1,3-dioxolane

  18. Microscopic resolution broadband dielectric spectroscopy

    International Nuclear Information System (INIS)

    Mukherjee, S; Watson, P; Prance, R J

    2011-01-01

    Results are presented for a non-contact measurement system capable of micron level spatial resolution. It utilises the novel electric potential sensor (EPS) technology, invented at Sussex, to image the electric field above a simple composite dielectric material. EP sensors may be regarded as analogous to a magnetometer and require no adjustments or offsets during either setup or use. The sample consists of a standard glass/epoxy FR4 circuit board, with linear defects machined into the surface by a PCB milling machine. The sample is excited with an a.c. signal over a range of frequencies from 10 kHz to 10 MHz, from the reverse side, by placing it on a conducting sheet connected to the source. The single sensor is raster scanned over the surface at a constant working distance, consistent with the spatial resolution, in order to build up an image of the electric field, with respect to the reference potential. The results demonstrate that both the surface defects and the internal dielectric variations within the composite may be imaged in this way, with good contrast being observed between the glass mat and the epoxy resin.

  19. Microscopic resolution broadband dielectric spectroscopy

    Science.gov (United States)

    Mukherjee, S.; Watson, P.; Prance, R. J.

    2011-08-01

    Results are presented for a non-contact measurement system capable of micron level spatial resolution. It utilises the novel electric potential sensor (EPS) technology, invented at Sussex, to image the electric field above a simple composite dielectric material. EP sensors may be regarded as analogous to a magnetometer and require no adjustments or offsets during either setup or use. The sample consists of a standard glass/epoxy FR4 circuit board, with linear defects machined into the surface by a PCB milling machine. The sample is excited with an a.c. signal over a range of frequencies from 10 kHz to 10 MHz, from the reverse side, by placing it on a conducting sheet connected to the source. The single sensor is raster scanned over the surface at a constant working distance, consistent with the spatial resolution, in order to build up an image of the electric field, with respect to the reference potential. The results demonstrate that both the surface defects and the internal dielectric variations within the composite may be imaged in this way, with good contrast being observed between the glass mat and the epoxy resin.

  20. Restoring solvent for nuclear separation processes

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    Solvent extraction separation processes are used to recover usable nuclear materials from spent fuels. These processes involve the use of an extractant/diluent (solvent) for separation of the reusable actinides from unwanted fission products. The most widely used processes employ tributyl phosphate as an extractant diluted with a normal-paraffin hydrocarbon. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, product decontamination, and separation efficiencies. In most processes, the solvent is recycled after cleaning. Solvent cleaning generally involves scrubbing with a sodium carbonate solution. Studies at the Savannah River Laboratory have shown that carbonate washing, although removing residual solvent activity, does not remove more solvent-soluble binding ligands (formed by solvent degradation), which hold fission products in the solvent. Treatment of the solvent with a solid adsorbent after carbonate washing removes binding ligands and significantly improves recycled solvent performance. Laboratory work to establish the advantage of adsorbent cleaning and the development of a full-scale adsorption process is described. The application of this process for cleaning the first cycle solvent of a Savannah River Plant production process is discussed

  1. Solvent Extraction of Furfural From Biomass

    Science.gov (United States)

    Humphrey, M. F.

    1984-01-01

    Solvent-extraction method reduces energy required to remove furfural produced during acid hydrolysis of biomass. Acid hydrolysis performed in vessel containing both solvents and reacting ingredients. With intimate contact between solvents and aqueous hydrolyis liqour, furfural removed form liquor almost as fast as it forms.

  2. Adaptive Resolution Simulation of MARTINI Solvents

    NARCIS (Netherlands)

    Zavadlav, Julija; Melo, Manuel N.; Cunha, Ana V.; de Vries, Alex H.; Marrink, Siewert J.; Praprotnik, Matej

    We present adaptive resolution dynamics simulations of aqueous and apolar solvents coarse-grained molecular models that are compatible with the MARTINI force field. As representatives of both classes solvents we have chosen liquid water and butane, respectively, at ambient temperature. The solvent

  3. Dielectric and physiochemical study of binary mixture of nitrobenzene with toluene

    Science.gov (United States)

    Mohod, Ajay G.; Deshmukh, S. D.; Pattebahadur, K. L.; Undre, P. B.; Patil, S. S.; Khirade, P. W.

    2018-05-01

    This paper presents the study of binary mixture of Nitrobenzene (NB) with Toluene (TOL) for eleven different concentrations at room temperature. The determined Dielectric Constant (ɛ0) Density (ρ) and Refractive index (nD) values of binary mixture are used to calculate the excess properties i.e. Excess Dielectric Constant (ɛ0E), Excess Molar Volume (VmE), Excess Refractive Index (nDE) and Excess Molar Refraction (RmE) of mixture over the entire composition range and fitted to the Redlich-Kister equation. The Kirkwood Correlation Factor (geff) and other parameters were used to discuss the information about the orientation of dipoles and the solute-solvent interaction of binary mixture at molecular level over the entire range of concentration.

  4. Dielectric and conformational studies of hydrogen bonded 2-ethoxyethanol and ethyl methyl ketone system

    Science.gov (United States)

    Pattebahadur, Kanchan. L.; Deshmukh, S. D.; Mohod, A. G.; Undre, P. B.; Patil, S. S.; Khirade, P. W.

    2018-05-01

    The Dielectric constant, density and refractive index of binary mixture of 2-ethoxy ethanol (2-EE) with ethyl methyl ketone (EMK) including those of the pure liquids were measured for 11 concentrations at 25°C temperature. The experimental data is used to calculate the Excess molar volume, Excess dielectric constant, Kirkwood correlation factor and Bruggemann factor. The excess parameters results were fitted to the Redlich-Kister type polynomial equation to derive its fitting coefficient. The Kirkwood correlation factor of the mixture has been discussed to yield information about solute solvent interaction. The Bruggeman plot shows a deviation from linearity. The FT-IR spectra of pure and their binary mixtures are also studied.

  5. Correlation between the dielectric properties and biological activities of human ex vivo hepatic tissue

    International Nuclear Information System (INIS)

    Wang, Hang; You, Fusheng; Fu, Feng; Dong, Xiuzhen; Shi, Xuetao; He, Yong; Yang, Min; Yan, Qingguo

    2015-01-01

    Dielectric properties are vital biophysical features of biological tissues, and biological activity is an index to ascertain the active state of tissues. This study investigated the potential correlation between the dielectric properties and biological activities of human hepatic tissue with prolonged ex vivo time through correlation and regression analyses. The dielectric properties of 26 cases of normal human hepatic tissue at 10 Hz to 100 MHz were measured from 15 min after isolation to 24 h at 37 °C with 90% humidity. Cell morphologies, including nucleus area (NA) and alteration rate of intercellular area (ICAR), were analyzed as indicators of biological activities. Conductivity, complex resistivity, and NA exhibited opposing changes 1 h after isolation. Relative permittivity and ex vivo time were not closely correlated (p > 0.05). The dielectric properties measured at low frequencies (i.e. <1 MHz) were more sensitive than those measured at high frequencies in reflecting the biological activity of ex vivo tissue. Highly significant correlations were found between conductivity, resistivity and the ex vivo time (p < 0.05) as well as conductivity and the cell morphology (p < 0.05). The findings indicated that establishing the correlation between the dielectric properties and biological activities of human hepatic tissue is of great significance for promoting the role of dielectric properties in biological science, particularly in human biology. (paper)

  6. Design and Development of Embedded Based System for the Measurement of Dielectric Constant Spectroscopy for Liquids

    Directory of Open Access Journals (Sweden)

    V. V. Ramana C. H.

    2010-09-01

    Full Text Available An embedded based system for the measurement of dielectric constant spectroscopy (for frequencies 1 kHz, 10 kHz, 100 kHz, 1 MHz and 10 MHz for liquids has been designed and developed. It is based on the principle that the change in frequency of an MAX 038 function generator, when the liquid forms the dielectric medium of the dielectric cell, is measured with a microcontroller. Atmel’s AT89LP6440 microcontroller is used in the present study. Further, an LCD module is interfaced with the microcontroller in 4-bit mode, which reduces the hardware complexity. Software is developed in C using Keil’s C-cross compiler. The instrument system covers a wide range of dielectric constants for various liquids at various frequencies and at different temperatures. The system is quite successful in the measurement of dielectric constant in liquids with an accuracy of ± 0.01 %. The dielectric constant is very dependent on the frequency of their measurement. No one-measurement technique is available, however, that will give the frequency range needed to characterize the liquid sample. The paper deals with the hardware and software details.

  7. 3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions

    Science.gov (United States)

    Cao, Siqin; Zhu, Lizhe; Huang, Xuhui

    2018-04-01

    The 3D reference interaction site model (3DRISM) is a powerful tool to study the thermodynamic and structural properties of liquids. However, for hydrophobic solutes, the inhomogeneity of the solvent density around them poses a great challenge to the 3DRISM theory. To address this issue, we have previously introduced the hydrophobic-induced density inhomogeneity theory (HI) for purely hydrophobic solutes. To further consider the complex hydrophobic solutes containing partial charges, here we propose the D2MSA closure to incorporate the short-range and long-range interactions with the D2 closure and the mean spherical approximation, respectively. We demonstrate that our new theory can compute the solvent distributions around real hydrophobic solutes in water and complex organic solvents that agree well with the explicit solvent molecular dynamics simulations.

  8. 3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions

    KAUST Repository

    Cao, Siqin

    2017-12-22

    The 3D reference interaction site model (3DRISM) is a powerful tool to study the thermodynamic and structural properties of liquids. However, for hydrophobic solutes, the inhomogeneity of the solvent density around them poses a great challenge to the 3DRISM theory. To address this issue, we have previously introduced the hydrophobic-induced density inhomogeneity theory (HI) for purely hydrophobic solutes. To further consider the complex hydrophobic solutes containing partial charges, here we propose the D2MSA closure to incorporate the short-range and long-range interactions with the D2 closure and the mean spherical approximation, respectively. We demonstrate that our new theory can compute the solvent distributions around real hydrophobic solutes in water and complex organic solvents that agree well with the explicit solvent molecular dynamics simulations.

  9. 3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions

    KAUST Repository

    Cao, Siqin; Zhu, Lizhe; Huang, Xuhui

    2017-01-01

    The 3D reference interaction site model (3DRISM) is a powerful tool to study the thermodynamic and structural properties of liquids. However, for hydrophobic solutes, the inhomogeneity of the solvent density around them poses a great challenge to the 3DRISM theory. To address this issue, we have previously introduced the hydrophobic-induced density inhomogeneity theory (HI) for purely hydrophobic solutes. To further consider the complex hydrophobic solutes containing partial charges, here we propose the D2MSA closure to incorporate the short-range and long-range interactions with the D2 closure and the mean spherical approximation, respectively. We demonstrate that our new theory can compute the solvent distributions around real hydrophobic solutes in water and complex organic solvents that agree well with the explicit solvent molecular dynamics simulations.

  10. A Study of Complexation-ability of Neutral Schiff Bases to Some Metal Cations

    Directory of Open Access Journals (Sweden)

    Umit Cakir

    2007-09-01

    Full Text Available The constants of the extraction equilibrium and the distribution fordichloromethane as an organic solvent having low dielectric constant of metal cations withchiral Schiff bases, benzaldehydene-(S-2-amino-3-phenylpropanol (I, o- benzaldehydene-(S-2-hydroxybenzaldehydene-(S-2-amino-3-phenyl-propanol (II,amino-3-methylbutanol (III with anionic dyes [4-(2-pyridylazo-resorcinol mono sodiummonohydrate (NaPar, sodium picrat (NaPic and potassium picrat (KPic] and some heavymetal chlorides were determined at 25 oC. All the ligands have given strongestcomplexation for NaPar. In contrast, similar behaviour for both alkali metal picrates is notapparent in the complexation of corresponding ligands.

  11. Numerical investigation of dielectric barrier discharges

    Science.gov (United States)

    Li, Jing

    1997-12-01

    A dielectric barrier discharge (DBD) is a transient discharge occurring between two electrodes in coaxial or planar arrangements separated by one or two layers of dielectric material. The charge accumulated on the dielectric barrier generates a field in a direction opposite to the applied field. The discharge is quenched before an arc is formed. It is one of the few non-thermal discharges that operates at atmospheric pressure and has the potential for use in pollution control. In this work, a numerical model of the dielectric barrier discharge is developed, along with the numerical approach. Adaptive grids based on the charge distribution is used. A self-consistent method is used to solve for the electric field and charge densities. The Successive Overrelaxation (SOR) method in a non-uniform grid spacing is used to solve the Poisson's equation in the cylindrically-symmetric coordinate. The Flux Corrected Transport (FCT) method is modified to solve the continuity equations in the non-uniform grid spacing. Parametric studies of dielectric barrier discharges are conducted. General characteristics of dielectric barrier discharges in both anode-directed and cathode-directed streamer are studied. Effects of the dielectric capacitance, the applied field, the resistance in external circuit and the type of gases (O2, air, N2) are investigated. We conclude that the SOR method in an adaptive grid spacing for the solution of the Poisson's equation in the cylindrically-symmetric coordinate is convergent and effective. The dielectric capacitance has little effect on the g-factor of radical production, but it determines the strength of the dielectric barrier discharge. The applied field and the type of gases used have a significant role on the current peak, current pulse duration and radical generation efficiency, discharge strength, and microstreamer radius, whereas the external series resistance has very little effect on the streamer properties. The results are helpful in

  12. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    NARCIS (Netherlands)

    Floris, F.M.; Filippi, Claudia; Amovilli, C.

    2014-01-01

    We investigate here the vertical n → π* and π → π* transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to

  13. Solvothermal synthesis of nanocrystalline KTaO.sub.3./sub. : Effect of solvent dielectric constant

    Czech Academy of Sciences Publication Activity Database

    Makarova, Marina; Bykov, Pavlo; Drahokoupil, Jan; Čerňanský, Marian; Dlabáček, Zdeněk; Dejneka, Alexandr; Jastrabík, Lubomír; Trepakov, Vladimír

    2012-01-01

    Roč. 47, č. 7 (2012), s. 1798-1773 ISSN 0025-5408 R&D Projects: GA AV ČR KAN301370701; GA ČR GAP108/12/1941 Institutional research plan: CEZ:AV0Z10100522; CEZ:AV0Z10100520 Keywords : nanostructures * chemical synthesis * Raman spectroscopy * X-ray diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.913, year: 2012

  14. The Solvent Selection framework: solvents for organic synthesis, separation processes and ionic-organic synthesis

    DEFF Research Database (Denmark)

    Mitrofanov, Igor; Sansonetti, Sascha; Abildskov, Jens

    2012-01-01

    This paper presents a systematic integrated framework for solvent selection and solvent design. The framework is divided into several modules, which can tackle specific problems in various solvent-based applications. In particular, three modules corresponding to the following solvent selection pr...

  15. Solvent cleaning system and method for removing contaminants from solvent used in resin recycling

    Science.gov (United States)

    Bohnert, George W [Harrisonville, MO; Hand, Thomas E [Lee's Summit, MO; DeLaurentiis, Gary M [Jamestown, CA

    2009-01-06

    A two step solvent and carbon dioxide based system that produces essentially contaminant-free synthetic resin material and which further includes a solvent cleaning system for periodically removing the contaminants from the solvent so that the solvent can be reused and the contaminants can be collected and safely discarded in an environmentally safe manner.

  16. Sedimentation in Particulate Aqueous Suspensions as studied by means of Dielectric Time Domain Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pettersen, Bjoernar Hauknes

    1997-12-31

    Many problems in offshore oil production and multiphase transport are related to surface and colloid chemistry. This thesis applies dielectric spectroscopy as an experimental technique to study the behaviour of particle suspensions in polar media. The thesis opens with an introduction to suspensions and time domain dielectric spectroscopy. It then investigates the dielectric properties of silica and alumina dispersed in polar solvents. It is found that theoretical models can be used to calculate the volume fraction disperse phase in the suspension and that the particle sedimentation depends on the wetting of the particles, charge on the particle surface and viscosity of the solvent, and that this dependency can be measured by time domain dielectric spectroscopy. When the surface properties of silica and alumina particles were modified by coating them with a non-ionic polymer and a non-ionic surfactant, then different degrees of packing in the sedimented phase at the bottom of the sedimentation vessel occurred. Chemometrical methods on the synthesis of monodisperse silica particles were used to investigate what factors influence the particle size. It turned out that it is insufficient to consider only main variables when discussing the results of the synthesis. By introducing interaction terms, the author could explain the variation in the size of particles synthesized. The difference in the sedimentation rate of monodisperse silica particles upon variation of volume fraction particles, pH, salinity, amount of silanol groups at the particle surface and temperature was studied. The cross interactions play an important role and a model explaining the variation in sedimentation is introduced. Finally, magnetic particles dispersed in water and in an external magnetic field were used to study the impact on the sedimentation due to the induced flocculation. 209 refs., 90 figs., 9 tabs.

  17. Role of Dielectric Constant on Ion Transport: Reformulated Arrhenius Equation

    Directory of Open Access Journals (Sweden)

    Shujahadeen B. Aziz

    2016-01-01

    Full Text Available Solid and nanocomposite polymer electrolytes based on chitosan have been prepared by solution cast technique. The XRD results reveal the occurrence of complexation between chitosan (CS and the LiTf salt. The deconvolution of the diffractogram of nanocomposite solid polymer electrolytes demonstrates the increase of amorphous domain with increasing alumina content up to 4 wt.%. Further incorporation of alumina nanoparticles (6 to 10 wt.% Al2O3 results in crystallinity increase (large crystallite size. The morphological (SEM and EDX analysis well supported the XRD results. Similar trends of DC conductivity and dielectric constant with Al2O3 concentration were explained. The TEM images were used to explain the phenomena of space charge and blocking effects. The reformulated Arrhenius equation (σ(ε′,T=σoexp(-Ea/KBε′T was proposed from the smooth exponential behavior of DC conductivity versus dielectric constant at different temperatures. The more linear behavior of DC conductivity versus 1000/(ɛ′×T reveals the crucial role of dielectric constant in Arrhenius equation. The drawbacks of Arrhenius equation can be understood from the less linear behavior of DC conductivity versus 1000/T. The relaxation processes have been interpreted in terms of Argand plots.

  18. Solvent-mediated self-assembly of hexadecanethiol on GaAs (0 0 1)

    International Nuclear Information System (INIS)

    Huang, Xiaohuan; Dubowski, Jan J.

    2014-01-01

    Graphical abstract: - Highlights: • Outstanding quality hexadecanethiol self-assembled monolayers (HDT SAM) produced on GaAs (0 0 1) due to the mediated role of water in an alcoholic environment. • HDT SAM formed in chloroform exhibit excellent electronic passivation properties in contrast to their structural characteristics. • Low dielectric constant solvents do not necessary provide conditions advantageous for the formation of high quality alkanethiol SAM. • Photoluminescence emitting materials allow to investigate the mechanisms of both electronic and chemical passivation and, thus, they are an excellent platform for studying the mechanisms of SAM formation on solid substrates. - Abstract: We have investigated the influence of solvents on the quality of hexadecanethiol (HDT) self-assembled monolayers (SAM) formed on GaAs (0 0 1) in chloroform, ethanol and ethanol/water 1:1 characterized by their increasing dielectric constants from 4.8 (chloroform) to 24.5 (ethanol) and water (80.1). Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) data show that the incubation in ethanol/water 1:1 solution creates conditions favouring inter-molecular interaction leading to the formation of an outstanding quality HDT SAM on GaAs (0 0 1). Incubation in low-dielectric constant solvents is not offering advantageous conditions for growing HDT SAM on GaAs. The chloroform environment, while weakening the thiol–thiol interaction, induces the oxidation of the GaAs surface and, in particular, formation of Ga 2 O 3 . This reduces the concentration of surface defects responsible for non-radiative recombination and leads to an enhanced photoluminescence emission, despite the fact that HDT SAM formed in chloroform are highly disordered, exhibiting the worst chemical passivation among the investigated samples

  19. Insecticide solvents: interference with insecticidal action.

    Science.gov (United States)

    Brattsten, L B; Wilkinson, C F

    1977-06-10

    Several commercial solvent mixtures commonly used as insecticide carriers in spray formulations increase by more than threefold the microsomal N-demethylation of p-chloro N-methylaniline in midgut preparations of southern army-worm (Spodoptera eridania) larvae exposed orally to the test solvents. Under laboratory conditions, the same solvent mixtures exhibit a protective action against the in vivo toxicity of the insecticide carbaryl to the larvae. The data are discussed with respect to possible solvent-insecticide interactions occurring under field conditions and, more broadly, to potential toxicological hazards of these solvents to humans.

  20. Organic solvents in electromembrane extraction: recent insights

    DEFF Research Database (Denmark)

    Huang, Chuixiu; Gjelstad, Astrid; Pedersen-Bjergaard, Stig

    2016-01-01

    the introduction. Under the influence of an electrical field, EME is based on electrokinetic migration of the analytes through a supported liquid membrane (SLM), which is an organic solvent immobilized in the pores of the polymeric membrane, and into the acceptor solution. Up to date, close to 150 research...... articles with focus on EME have been published. The current review summarizes the performance of EME with different organic solvents and discusses several criteria for efficient solvents in EME. In addition, the authors highlight their personal perspective about the most promising organic solvents for EME...... and have indicated that more fundamental work is required to investigate and discover new organic solvents for EME....

  1. Disclosed dielectric and electromechanical properties of hydrogenated nitrile–butadiene dielectric elastomer

    International Nuclear Information System (INIS)

    Yang, Dan; Tian, Ming; Dong, Yingchao; Liu, Haoliang; Yu, Yingchun; Zhang, Liqun

    2012-01-01

    This paper presents a comprehensive study of the effects of acrylonitrile content, crosslink density and plasticization on the dielectric and electromechanical performances of hydrogenated nitrile–butadiene dielectric elastomer. It was found that by increasing the acrylonitrile content of hydrogenated nitrile–butadiene dielectric elastomer, the dielectric constant will be improved accompanied with a sharp decrease of electrical breakdown strength leading to a small actuated strain. At a fixed electric field, a high crosslink density increased the elastic modulus of dielectric elastomer, but it also enhanced the electrical breakdown strength leading to a high actuated strain. Adding a plasticizer into the dielectric elastomer decreased the dielectric constant and electrical breakdown strength slightly, but reduced the elastic modulus sharply, which was beneficial for obtaining a large strain at low electric field from the dielectric elastomer. The largest actuated strain of 22% at an electric field of 30 kV mm −1 without any prestrain was obtained. Moreover, the hydrogenated nitrile–butadiene dielectric actuator showed good history dependence. This proposed material has great potential to be an excellent dielectric elastomer. (paper)

  2. Dielectric relaxation studies of some primary alcohols and their mixture with water

    International Nuclear Information System (INIS)

    Ahmad, S.S.; Yaqub, M.

    2003-01-01

    The complex dielectric constant of ethyl alcohol, methyl alcohol and 1- propanol and their mixtures with water of different concentration, (0 to 100% by weight) at the temperature of 303K has been evaluated, within the frequency range of (100KHz- 100 MHz). Moreover, the viscosity mu of each alcohol and its mixture with water have been measured at this temperature. The dielectric properties have been evaluated by Hartshorn and Ward apparatus. The purpose of this work is to study the influence of aliphatic group, size and shape on the extent of hydrogen bonding and also to obtain the thermodynamic data on hydrogen bond formation in the pure liquid state and its mixture. The width of the semicircle plot determines the distribution of average relaxation time. Dielectric relaxation time in pure alcohols and their water mixture has been calculated from the respected Cole-Cole plot and dielectric data. A single relaxation time of 117.16ps has been obtained for the molecules of pure methanol, whereas, the dielectric data of prophyl alcohol which indicates the viscosity water have been measured at the temperature 303 K. The dielectric properties in distribution of relaxation time, which is in good agreement with the Davidson-cole representation. The molecules in liquid mixture within frequency range, the mixture has more than one relaxation item, leading to the shortening of main relaxation time as compared with the pure alcohol and broadening of the complex permitivity spectra. The dependence of the dielectric relaxation on composition shows a remarkable behavior. Results are discussed in the light of H-bonded molecules. (author)

  3. Optical properties of crystalline semiconductors and dielectrics

    International Nuclear Information System (INIS)

    Forouhi, A.R.; Bloomer, I.

    1988-01-01

    A new formulation for the complex index of refraction, N(E) = n(E)-ik(E), as a function of photon energy E, for crystalline semiconductors and dielectrics is developed based on our previous derivation of N(E) for amorphous materials. The extinction coefficient k(E) is deduced from a one-electron model with finite lifetime for the excited electron state. The refractive index n(E) is then derived from the Kramers-Kronig relation as the Hilbert transform of k(E). It is shown that n(∞)>1. Excellent agreement is found between our equations for n(E) and k(E) and published measured values for crystalline Si, Ge, GaP, GaAs, GaSb, InP, InAs, InSb, SiC, cubic C, and α-SiO 2 , over a wide range of energies (∼0--20 eV). Far fewer parameters, all of which have physical significance, are required and they can be determined for a particular material from the position and strength of the peaks in the k spectrum

  4. The effect of organic water-miscible solvents on the extraction of uranium by TOA

    International Nuclear Information System (INIS)

    Shi Xiukun; Shen Xinghai; Pen Qixiu; Gao Hongchen

    1989-01-01

    The effect of organic water-miscible solvents, such as methanol, ethanol, acetone, dioxane, glycol, dimethylsulfoxide (DMSO), dimethylformamide (DMF), tetrahydrofurance (THF) in aqueous phase on the extraction of uranyl sulphate by tri-n-octylamine (TOA) has been investigated. All data obtained showed that the addition of alcohols, ketones etc. into aqueous phase brings about an increase of distribution ratio of uranium, whereas the addition of DMSO, DMF etc. brings about a decrease of distribution ratio of uranium. In the present study, the regularity and mechanism of extraction with TOA are further studied and discussed from the measurements of some physical properties, such as dielectric constant, interface tension etc

  5. Measurement and Correlation of the Ionic Conductivity of Ionic Liquid-Molecular Solvent Solutions

    Institute of Scientific and Technical Information of China (English)

    LI,Wen-Jing; HAN,Bu-Xing; TAO,Ran-Ting; ZHANG,Zhao-Fu; ZHANG,Jian-Ling

    2007-01-01

    The ionic conductivity of the solutions formed from 1-n-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) or 1-n-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) and different molecular solvents (MSs) were measured at 298.15 K. The molar conductivity of the ionic liquids (ILs) increased dramatically with increasing concentration of the MSs. It was found that the molar conductivity of the IL in the solutions studied in this work could be well correlated by the molar conductivity of the neat ILs and the dielectric constant and molar volume of the MSs.

  6. Bulk heterojunction organic photovoltaic cell fabricated by the electrospray deposition method using mixed organic solvent

    Energy Technology Data Exchange (ETDEWEB)

    Fukuda, Takeshi; Takagi, Kenji; Asano, Takashi [Department of Functional Materials Science, Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama 338-8570 (Japan); RIKEN, 2-1 Hirosawa, Wakou-shi, Saitama 351-0198 (Japan); Honda, Zentaro; Kamata, Norihiko; Ueno, Keiji; Shirai, Hajime [Department of Functional Materials Science, Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama 338-8570 (Japan); Ju, Jungmyoung; Yamagata, Yutaka; Tajima, Yusuke [RIKEN, 2-1 Hirosawa, Wakou-shi, Saitama 351-0198 (Japan)

    2011-07-15

    A high-efficiency bulk heterojunction organic photovoltaic cell (OPV) was achieved by the electrospray deposition method. The surface roughness of the P3HT:PCBM thin film can be reduced using the mixed solvent consisting of o-dichlorobenzene (o-DCB) and acetone. The effect of acetone concentration is related to its dielectric constant. Under an optimized concentration of acetone in o-DCB (20 vol%), the P3HT/PCBM active layer with a smooth surface can be formed, and the power conversion efficiency of the OPV was 1.9%. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. The color dielectric model of QCD

    International Nuclear Information System (INIS)

    Pirner, H.-J.; Massachusetts Inst. of Tech., Cambridge, MA; Massachusetts Inst. of Tech., Cambridge, MA

    1992-01-01

    This paper demonstrates the emergence of valence gluons and their bound states, the glueballs from perturbative quantum chromodynamics (QCD). We discuss the phenomenological constraints and theoretical method needed to generate effective glueballs actions. We show how color dielectric confinement works naively and in the lattice model of color dielectrics. This lattice model is derived for SU(2) color by a blockspinning Monte Carlo renormalization group procedure. We interpret the resulting long-distance as a strongly interacting lattice string theory where the valence link gluon fields randomize in the color dielectric background which mimics the integrated out high-frequency gluon modes in the vacuum. The fluctuations of the color dielectric fields are related to color neutral glueballs modes. We give the extension of this color dielectric SU(2) theory for general SU(N) with quarks and address the problems associated with combining confinement and chiral symmetry breaking. Finally we prove the efficiency of the effective theory in applications to the heavy quark system, the the baryon, to the nucleon-nucleon interaction, to baryon models and the gluon plasma transition. In all those cases the behavior of the higher energy gluons can be monitored via the color dielectric fields. An increase in the energy density from ''deconfining'' the higher frequency modes inside the flux tube or in thermally excited matter shows up as an increase in the value of the color dielectric field and its associated energy density. (Author)

  8. Virtual gap dielectric wall accelerator

    Science.gov (United States)

    Caporaso, George James; Chen, Yu-Jiuan; Nelson, Scott; Sullivan, Jim; Hawkins, Steven A

    2013-11-05

    A virtual, moving accelerating gap is formed along an insulating tube in a dielectric wall accelerator (DWA) by locally controlling the conductivity of the tube. Localized voltage concentration is thus achieved by sequential activation of a variable resistive tube or stalk down the axis of an inductive voltage adder, producing a "virtual" traveling wave along the tube. The tube conductivity can be controlled at a desired location, which can be moved at a desired rate, by light illumination, or by photoconductive switches, or by other means. As a result, an impressed voltage along the tube appears predominantly over a local region, the virtual gap. By making the length of the tube large in comparison to the virtual gap length, the effective gain of the accelerator can be made very large.

  9. Standards for dielectric elastomer transducers

    International Nuclear Information System (INIS)

    Carpi, Federico; Frediani, Gabriele; Anderson, Iain; Bauer, Siegfried; Gallone, Giuseppe; Gei, Massimiliano; Graaf, Christian; Jean-Mistral, Claire; Kaal, William; Kofod, Guggi; Kollosche, Matthias; Kornbluh, Roy; Pelrine, Ron; Lassen, Benny; Rechenbach, Björn; Matysek, Marc; Michel, Silvain; Nowak, Stephan; O’Brien, Benjamin; Pei, Qibing

    2015-01-01

    Dielectric elastomer transducers consist of thin electrically insulating elastomeric membranes coated on both sides with compliant electrodes. They are a promising electromechanically active polymer technology that may be used for actuators, strain sensors, and electrical generators that harvest mechanical energy. The rapid development of this field calls for the first standards, collecting guidelines on how to assess and compare the performance of materials and devices. This paper addresses this need, presenting standardized methods for material characterisation, device testing and performance measurement. These proposed standards are intended to have a general scope and a broad applicability to different material types and device configurations. Nevertheless, they also intentionally exclude some aspects where knowledge and/or consensus in the literature were deemed to be insufficient. This is a sign of a young and vital field, whose research development is expected to benefit from this effort towards standardisation. (paper)

  10. Standards for dielectric elastomer transducers

    Science.gov (United States)

    Carpi, Federico; Anderson, Iain; Bauer, Siegfried; Frediani, Gabriele; Gallone, Giuseppe; Gei, Massimiliano; Graaf, Christian; Jean-Mistral, Claire; Kaal, William; Kofod, Guggi; Kollosche, Matthias; Kornbluh, Roy; Lassen, Benny; Matysek, Marc; Michel, Silvain; Nowak, Stephan; O'Brien, Benjamin; Pei, Qibing; Pelrine, Ron; Rechenbach, Björn; Rosset, Samuel; Shea, Herbert

    2015-10-01

    Dielectric elastomer transducers consist of thin electrically insulating elastomeric membranes coated on both sides with compliant electrodes. They are a promising electromechanically active polymer technology that may be used for actuators, strain sensors, and electrical generators that harvest mechanical energy. The rapid development of this field calls for the first standards, collecting guidelines on how to assess and compare the performance of materials and devices. This paper addresses this need, presenting standardized methods for material characterisation, device testing and performance measurement. These proposed standards are intended to have a general scope and a broad applicability to different material types and device configurations. Nevertheless, they also intentionally exclude some aspects where knowledge and/or consensus in the literature were deemed to be insufficient. This is a sign of a young and vital field, whose research development is expected to benefit from this effort towards standardisation.

  11. Photoacoustic and dielectric spectroscopic studies of 4-dimethylamino-n-methyl-4-stilbazolium tosylate single crystal: An efficient terahertz emitter

    Science.gov (United States)

    Manivannan, M.; Martin Britto Dhas, S. A.; Jose, M.

    2016-12-01

    Bulk terahertz emitting single crystal of 4-dimethylamino-N-methyl-4-stilbazolium tosylate (DAST) was synthesized by condensation method and grown by slow solvent evaporation technique from methanol. The structure and cell parameters of the grown crystals were derived from single crystal and powder X-ray diffraction analyses and the optical properties of the crystal were analyzed by UV-Vis Spectrophotometer. The presence of functional groups was identified by FTIR and FT-Raman spectroscopic studies. We demonstrated that in DAST crystal, the thermal transport properties such as thermal conductivity, thermal diffusivity and thermal effusivity are better than several well recognized standard materials using photoacoustic spectrophotometer. The dielectric measurement was made as a function of frequency (1 Hz-35 MHz) at different temperatures (30-200 °C). The dielectric constant and dielectric loss were found to be strongly dependent on temperature and frequency of the applied electric field. The semicircle in the cole-cole plot showed the presence of dielectric relaxation in the crystal with its diameter representing the resistance of the crystal. The resistivity and ac conductivity were calculated from the measured dielectric data.

  12. The photo-dielectric effect in bio-systems and models

    International Nuclear Information System (INIS)

    Anitoff, Oleg Eric

    1983-01-01

    The first part of this thesis describes the photo-dielectric spectrometer, an original measurement set-up designed in order to enable the kinetic study of dielectric (or magnetic) relaxation in laser excited systems. In the second part, this new technique is applied to three systems: 1) thylakoid (the photo-electrochemically active part of the chloroplasts of green plants) and protochlorophyllide-protein complex: synchronous photo-dielectric effect, measure of the mean polarizability of laser excited states and of their degree of photonicity. 2) phases with electron traps: vitrified thylakoid (77K); chloro-aluminium chlorophthalocyanine: delayed photo-dielectric effect (RITDC) with memory effect in the former case. This effect results from the L-Fault stabilization of inverted hydrogenoid states e - L n H + , this hypothesis being further confirmed by the observation of the chemical activity of γ irradiated phosphate glasses (phosphorylative activity). These later systems can also be phonon activated at pH 8, thus opening the way to the quantitative analysis of the electro-vibronic interaction in chromophore-protein complexes. 3) Inverted micelles of Aerosol O.T.: thermodynamical and kinetic analysis of the structure of bounded water aggregates through photo-thermo-dielectric effect. (author) [fr

  13. Dielectric non destructive testing for rock characterization in natural stone industry and cultural heritage

    Science.gov (United States)

    López-Buendía, Angel M.; García-Baños, Beatriz; Mar Urquiola, M.; Gutiérrez, José D.; Catalá-Civera, José M.

    2016-04-01

    Dielectric constant measurement has been used in rocks characterization, mainly for exploration objective in geophysics, particularly related to ground penetration radar characterization in ranges of 10 MHz to 1 GHz. However, few data have been collected for loss factor. Complex permittivity (dielectric constant and loss factor) characterization in rock provide information about mineralogical composition as well as other petrophysic parameters related to the quality, such as fabric parameters, mineralogical distribution, humidity. A study was performed in the frequency of 2,45GHz by using a portable kit for dielectric device based on an open coaxial probe. In situ measurements were made of natural stone marble and granite on selected industrial slabs and building stone. A mapping of their complex permittivity was performed and evaluated, and variations in composition and textures were identified, showing the variability with the mineral composition, metal ore minerals content and fabric. Dielectric constant was a parameter more sensible to rock forming minerals composition, particularly in granites for QAPF-composition (quartz-alkali feldspar-plagioclases-feldspathoids) and in marbles for calcite-dolomite-silicates. Loss factor shown a high sensibility to fabric and minerals of alteration. Results showed that the dielectric properties can be used as a powerful tool for petrographic characterization of building stones in two areas of application: a) in cultural heritage diagnosis to estimate the quality and alteration of the stone, an b) in industrial application for quality control and industrial microwave processing.

  14. A dielectric approach to high temperature superconductivity

    International Nuclear Information System (INIS)

    Mahanty, J.; Das, M.P.

    1989-01-01

    The dielectric response of an electron-ion system to the presence of a pair of charges is investigated. From the nature of the dielectric function, it is shown that a strong attractive pair formation is possible depending on the dispersion of the ion branches. The latter brings a reduction to the sound velocity which is used as a criterion for the superconductivity. By solving the BCS equation with the above dielectric function, we obtain a reasonable value of T/sub c/. 17 refs., 1 fig

  15. Radiation pressure on a dielectric surface

    International Nuclear Information System (INIS)

    Hirose, A.

    2010-01-01

    The radiation pressure on an insulating dielectric medium should be calculable from the force acting on the polarization vector P. The well-known force proposed by Gordon (Phys. Rev. A, 8, 14 (1973) disappears in the case of a steady-state plane wave. A new form of force explicitly involving the polarization vector is proposed and applied to determine the partition of the incident momentum among the reflected and transmitted wave, and the dielectric medium. The momentum of electromagnetic wave in a dielectric medium thus found is consistent with the classical relationship, wave momentum flux density = wave intensity/wave velocity. (author)

  16. Advanced integrated solvent extraction systems

    Energy Technology Data Exchange (ETDEWEB)

    Horwitz, E.P.; Dietz, M.L.; Leonard, R.A. [Argonne National Lab., IL (United States)

    1997-10-01

    Advanced integrated solvent extraction systems are a series of novel solvent extraction (SX) processes that will remove and recover all of the major radioisotopes from acidic-dissolved sludge or other acidic high-level wastes. The major focus of this effort during the last 2 years has been the development of a combined cesium-strontium extraction/recovery process, the Combined CSEX-SREX Process. The Combined CSEX-SREX Process relies on a mixture of a strontium-selective macrocyclic polyether and a novel cesium-selective extractant based on dibenzo 18-crown-6. The process offers several potential advantages over possible alternatives in a chemical processing scheme for high-level waste treatment. First, if the process is applied as the first step in chemical pretreatment, the radiation level for all subsequent processing steps (e.g., transuranic extraction/recovery, or TRUEX) will be significantly reduced. Thus, less costly shielding would be required. The second advantage of the Combined CSEX-SREX Process is that the recovered Cs-Sr fraction is non-transuranic, and therefore will decay to low-level waste after only a few hundred years. Finally, combining individual processes into a single process will reduce the amount of equipment required to pretreat the waste and therefore reduce the size and cost of the waste processing facility. In an ongoing collaboration with Lockheed Martin Idaho Technology Company (LMITCO), the authors have successfully tested various segments of the Advanced Integrated Solvent Extraction Systems. Eichrom Industries, Inc. (Darien, IL) synthesizes and markets the Sr extractant and can supply the Cs extractant on a limited basis. Plans are under way to perform a test of the Combined CSEX-SREX Process with real waste at LMITCO in the near future.

  17. A simple method for reducing inevitable dielectric loss in high-permittivity dielectric elastomers

    DEFF Research Database (Denmark)

    Madsen, Frederikke Bahrt; Yu, Liyun; Mazurek, Piotr Stanislaw

    2016-01-01

    elastomer matrix, with high dielectric permittivity and a low Young's modulus, aligned with no loss of mechanical stability, was prepared through the use of commercially available chloropropyl-functional silicone oil mixed into a tough commercial liquid silicone rubber silicone elastomer. The addition...... also decreased the dielectric losses of an elastomer containing dielectric permittivity-enhancing TiO2 fillers. Commercially available chloropropyl-functional silicone oil thus constitutes a facile method for improved silicone DEs, with very low dielectric losses.......Commercial viability of dielectric elastomers (DEs) is currently limited by a few obstacles, including high driving voltages (in the kV range). Driving voltage can be lowered by either decreasing the Young's modulus or increasing the dielectric permittivity of silicone elastomers, or a combination...

  18. Dielectric properties of materials at microwave frequencies

    Directory of Open Access Journals (Sweden)

    Ivo Křivánek

    2008-01-01

    Full Text Available The paper introduces the review of the present state of art in the measurement of the interaction of electromagnetic waves with different kinds of materials. It is analysis of the possibilities of the mea­surement of the interaction of high frequencies waves (microwaves with materials and proposal of the experimental method for the studies mentioned above.The electromagnetic field consists of two components: electric and magnetic field. The influence of these components on materials is different. The influence of the magnetic field is negligible and it has no impact on practical use. The influence of the electric field is strong as the interaction between them results in the creation of electric currents in the material (Křivánek and Buchar, 1993.Experiments focused on the evaluation of the complex dielectric permitivity of different materials have been performed. The permitivity of solid material is also measurable by phasemethod, when the specimen is a part of transmission sub-circuit. Microwave instrument for complex permittivity measurement works in X frequency band (8.2–12.5 GHz, the frequency 10.1 GHz was used for all the measurement in the laboratory of physics, Mendel University in Brno. The extensive number of experimental data have been obtained for different materials. The length of the square side of the ae­rial open end was 50 mm and internal dimensions of waveguides were 23 mm × 10 mm. The samples have form of the plate shape with dimensions 150 mm × 150 mm × 4 mm.

  19. Low frequency dielectric relaxation processes and ionic conductivity of montmorillonite clay nanoparticles colloidal suspension in poly(vinyl pyrrolidone−ethylene glycol blends

    Directory of Open Access Journals (Sweden)

    2008-11-01

    Full Text Available The dielectric dispersion behaviour of montmorillonite (MMT clay nanoparticles colloidal suspension in poly(vinyl pyrrolidone-ethylene glycol (PVP-EG blends were investigated over the frequency range 20 Hz to 1 MHz at 30°C. The 0, 1, 2, 3, 5 and 10 wt% MMT clay concentration of the weight of total solute (MMT+PVP were prepared in PVP-EG blends using EG as solvent. The complex relative dielectric function, alternating current (ac electrical conductivity, electric modulus and impedance spectra of these materials show the relaxation processes corresponding to the micro-Brownian motion of PVP chain, ion conduction and electrode polarization phenomena. The real part of ac conductivity spectra of these materials obeys Jonscher power law σ′(ω =σdc + Aωn in upper frequency end of the measurement, whereas dispersion in lower frequency end confirms the presence of electrode polarization effect. It was observed that the increase of clay concentration in the PVP-EG blends significantly increases the ac conductivity values, and simultaneously reduces the ionic conductivity relaxation time and electric double layer relaxation time, which suggests that PVP segmental dynamics and ionic motion are strongly coupled. The intercalation of EG structures in clay galleries and exfoliation of clay sheets by adsorption of PVP-EG structures on clay surfaces are discussed by considering the hydrogen bonding interactions between the hydroxyl group (–OH of EG molecules, carbonyl group (C=O of PVP monomer units, and the hydroxylated aluminate surfaces of the MMT clay particles. Results suggest that the colloidal suspension of MMT clay nano particles in the PVP-EG blends provide a convenient way to obtain an electrolyte solution with tailored electrical conduction properties.

  20. Anisotropic dielectric response of lead zirconate crystals in the terahertz and infrared range at low temperature

    Czech Academy of Sciences Publication Activity Database

    Ostapchuk, Tetyana; Kadlec, Christelle; Kužel, Petr; Kroupa, Jan; Železný, Vladimír; Hlinka, Jiří; Petzelt, Jan; Dec, J.

    2014-01-01

    Roč. 87, 10-11 (2014), s. 1129-1137 ISSN 0141-1594 R&D Projects: GA ČR GA13-15110S Institutional support: RVO:68378271 Keywords : antiferroelectrics * infrared and terahertz spectroscopy * lead zirconate * phonons * complex dielectric permittivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.954, year: 2014

  1. Mechanical, Dielectric, and Spectroscopic Characteristics of "Micro/Nanocellulose + Oxide" Composites

    Science.gov (United States)

    Nedielko, Maksym; Hamamda, Smail; Alekseev, Olexander; Chornii, Vitalii; Dashevskii, Mykola; Lazarenko, Maksym; Kovalov, Kostiantyn; Nedilko, Sergii G.; Tkachov, Sergii; Revo, Sergiy; Scherbatskyi, Vasyl

    2017-02-01

    The set of composite materials that consist of micro/nanocellulose and complex K2Eu(MoO4)(PO4) luminescent oxide particles was prepared. The composites were studied by means of scanning electron microscopy, XRD analysis, dilatometry, differential scanning calorimetry and thermogravimetric analysis, and dielectric and luminescence spectroscopy.

  2. Dielectric properties of solution-grown-undoped and acrylic-acid ...

    Indian Academy of Sciences (India)

    Unknown

    secondly, it increases the dielectric loss by forming charge transfer complexes. Keywords. .... generator model GM 2308/90, in the frequency range. 01–100 kHz ... on the free volume. In the glassy ... room for rotational or translation motion of the molecules to occur at Tg, ... electric field changes the energy balance, favouring.

  3. Interaction between like-charged colloidal particles in aqueous electrolyte solution: Attractive component arising from solvent granularity

    Directory of Open Access Journals (Sweden)

    R.Akiyama

    2007-12-01

    Full Text Available The potential of mean force (PMF between like-charged colloidal particles immersed in aqueous electrolyte solution is studied using the integral equation theory. Solvent molecules are modeled as neutral hard spheres, and ions and colloidal particles are taken to be charged hard spheres. The Coulomb potentials for ion-ion, ion-colloidal particle, and colloidal particle-colloidal particle pairs are divided by the dielectric constant of water. This simple model is employed to account for the effects of solvent granularity neglected in the so-called primitive model. The van der Waals attraction between colloidal particles, which is an essential constituent of conventional DLVO theory, is omitted in the present model. Nevertheless, when the electrolyte concentration is sufficiently high, attractive regions appear in the PMF. In particular, the interaction at small separations is significantly attractive and the contact of colloidal particles is stabilized. This interesting behavior arises from the effects of the translational motion of solvent molecules.

  4. Algorithms for computing solvents of unilateral second-order matrix polynomials over prime finite fields using lambda-matrices

    Science.gov (United States)

    Burtyka, Filipp

    2018-01-01

    The paper considers algorithms for finding diagonalizable and non-diagonalizable roots (so called solvents) of monic arbitrary unilateral second-order matrix polynomial over prime finite field. These algorithms are based on polynomial matrices (lambda-matrices). This is an extension of existing general methods for computing solvents of matrix polynomials over field of complex numbers. We analyze how techniques for complex numbers can be adapted for finite field and estimate asymptotic complexity of the obtained algorithms.

  5. Biodegradation of Chlorinated Solvents: Reactions near DNAPL and Enzyme Function

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-12-11

    three to five times, leading to a more rapid clean-up of the DNAPL zone. The most favored electron donor to add is one which partitions well with the chlorinated solvent or can be concentrated near it. Unfortunately, an ideal electron donor, such as vegetable oil, is difficult to introduce and mix with DNAPL in the ground, doing this properly remains an engineering challenge. Numerical model studies have indicated that several factors may significantly influence the rate and extent of enhancement, including the inhibitory effects of PCE and cDCE, the level of ED concentration, DNAPL configuration, and competition for ED. Such factors need to be considered when contemplating engineered DNAPL bioremediation. Pseudomonas stuzeri KC is an organism that transforms CT to carbon dioxide and chloride without the formation of the hazardous intermediate, chloroform. This is accomplished by production and secretion of a molecule called PDTC. This study was direct ed towards determining how PDTC works. Cu (II) at a ratio of 1:1 Cu to PDTC was found to result in the most rapid CT transformation, confirming that the PDTC-Cu complex is both a reactant and a catalyst in CT transformation. CT degradation requires that the PDTC be in a reduced form, which is generated by contact with cell components. Fe(II) inhibits CT transformation by PDTC. Studies indicated that this inhibition is enhanced by some compound or factor in the supernatant with molecular weight greater than 10,000 Da. We have made progress in determining what this factor might be, but have not yet been able to identify it. In related studies, we found that CT transformation by another organism, Shewanella oneidensis MR1, also involves an excreted factor, but this factor is different from PDTC and results in chloroform transformation as an intermediate. Our studies have indicated that this factor is similar to vitamin K2, and we have also confirmed that vitamin K2 does transform C T into chloroform.

  6. Biodegradation of Chlorinated Solvents: Reactions near DNAPL and Enzyme Function

    International Nuclear Information System (INIS)

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

    2003-01-01

    three to five times, leading to a more rapid clean-up of the DNAPL zone. The most favored electron donor to add is one which partitions well with the chlorinated solvent or can be concentrated near it. Unfortunately, an ideal electron donor, such as vegetable oil, is difficult to introduce and mix with DNAPL in the ground, doing this properly remains an engineering challenge. Numerical model studies have indicated that several factors may significantly influence the rate and extent of enhancement, including the inhibitory effects of PCE and cDCE, the level of ED concentration, DNAPL configuration, and competition for ED. Such factors need to be considered when contemplating engineered DNAPL bioremediation. Pseudomonas stuzeri KC is an organism that transforms CT to carbon dioxide and chloride without the formation of the hazardous intermediate, chloroform. This is accomplished by production and secretion of a molecule called PDTC. This study was direct ed towards determining how PDTC works. Cu (II) at a ratio of 1:1 Cu to PDTC was found to result in the most rapid CT transformation, confirming that the PDTC-Cu complex is both a reactant and a catalyst in CT transformation. CT degradation requires that the PDTC be in a reduced form, which is generated by contact with cell components. Fe(II) inhibits CT transformation by PDTC. Studies indicated that this inhibition is enhanced by some compound or factor in the supernatant with molecular weight greater than 10,000 Da. We have made progress in determining what this factor might be, but have not yet been able to identify it. In related studies, we found that CT transformation by another organism, Shewanella oneidensis MR1, also involves an excreted factor, but this factor is different from PDTC and results in chloroform transformation as an intermediate. Our studies have indicated that this factor is similar to vitamin K2, and we have also confirmed that vitamin K2 does transform C T into chloroform

  7. Identification of structural relaxation in the dielectric response of water

    DEFF Research Database (Denmark)

    Hansen, Jesper Schmidt; Kisliuk, Alexander; Solokov, Alexei P.

    2016-01-01

    One century ago pioneering dielectric results obtained for water and n-alcohols triggered the advent of molecular rotation diffusion theory considered by Debye to describe the primary dielectric absorption in these liquids. Comparing dielectric, viscoelastic, and light scattering results, we...... unambiguously demonstrate that the structural relaxation appears only as a high-frequency shoulder in the dielectric spectra of water. In contrast, the main dielectric peak is related to a supramolecular structure, analogous to the Debye-like peak observed in monoalcohols....

  8. Computation of Dielectric Response in Molecular Solids for High Capacitance Organic Dielectrics.

    Science.gov (United States)

    Heitzer, Henry M; Marks, Tobin J; Ratner, Mark A

    2016-09-20

    The dielectric response of a material is central to numerous processes spanning the fields of chemistry, materials science, biology, and physics. Despite this broad importance across these disciplines, describing the dielectric environment of a molecular system at the level of first-principles theory and computation remains a great challenge and is of importance to understand the behavior of existing systems as well as to guide the design and synthetic realization of new ones. Furthermore, with recent advances in molecular electronics, nanotechnology, and molecular biology, it has become necessary to predict the dielectric properties of molecular systems that are often difficult or impossible to measure experimentally. In these scenarios, it is would be highly desirable to be able to determine dielectric response through efficient, accurate, and chemically informative calculations. A good example of where theoretical modeling of dielectric response would be valuable is in the development of high-capacitance organic gate dielectrics for unconventional electronics such as those that could be fabricated by high-throughput printing techniques. Gate dielectrics are fundamental components of all transistor-based logic circuitry, and the combination high dielectric constant and nanoscopic thickness (i.e., high capacitance) is essential to achieving high switching speeds and low power consumption. Molecule-based dielectrics offer the promise of cheap, flexible, and mass producible electronics when used in conjunction with unconventional organic or inorganic semiconducting materials to fabricate organic field effect transistors (OFETs). The molecular dielectrics developed to date typically have limited dielectric response, which results in low capacitances, translating into poor performance of the resulting OFETs. Furthermore, the development of better performing dielectric materials has been hindered by the current highly empirical and labor-intensive pace of synthetic

  9. Theory of polyelectrolytes in solvents.

    Science.gov (United States)

    Chitanvis, Shirish M

    2003-12-01

    Using a continuum description, we account for fluctuations in the ionic solvent surrounding a Gaussian, charged chain and derive an effective short-ranged potential between the charges on the chain. This potential is repulsive at short separations and attractive at longer distances. The chemical potential can be derived from this potential. When the chemical potential is positive, it leads to a meltlike state. For a vanishingly low concentration of segments, this state exhibits scaling behavior for long chains. The Flory exponent characterizing the radius of gyration for long chains is calculated to be approximately 0.63, close to the classical value obtained for second order phase transitions. For short chains, the radius of gyration varies linearly with N, the chain length, and is sensitive to the parameters in the interaction potential. The linear dependence on the chain length N indicates a stiff behavior. The chemical potential associated with this interaction changes sign, when the screening length in the ionic solvent exceeds a critical value. This leads to condensation when the chemical potential is negative. In this state, it is shown using the mean-field approximation that spherical and toroidal condensed shapes can be obtained. The thickness of the toroidal polyelectrolyte is studied as a function of the parameters of the model, such as the ionic screening length. The predictions of this theory should be amenable to experimental verification.

  10. Thermal decomposition of organic solvent with nitric acid in nuclear fuel reprocessing plants

    Energy Technology Data Exchange (ETDEWEB)

    Koike, Tadao; Nishio, Gunji; Takada, Junichi; Tukamoto, Michio; Watanabe, Kouji [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Miyata, Sadaichirou

    1995-02-01

    Since a thermal decomposition of organic solvent containing TBP (tributyl phosphate) with nitric acid and heavy metal nitrates is an exothermic reaction, it is possible to cause an explosive decomposition of TBP-complex materials formed by a nitration between the solvent and nitric acid, if the solvent involving TBP-complex is heated upto a thermal limit in an evaporator to concentrate a fuel liquid solution from the extraction process in the reprocessing plant. In JAERI, the demonstration test for explosive decomposition of TBP-complex by the nitration was performed to elucidate the safety margin of the evaporator in the event of hypothetical explosion under auspices of the Science and Technology Agency. The demonstration test was carried out by heating TBP/n-dodecane solvent mixed with nitric acid and uranium nitrate. In the test, the thermal decomposition behavior of the solvent was examined, and also a kinematic reaction constant and a heat formation of the TBP-complex decomposition were measured by the test. In the paper, a safety analysis of a model evaporator was conducted during accidental conditions under the explosive decomposition of the solvent. (author).

  11. Cleanup of Savannah River Plant solvent using solid sorbents

    International Nuclear Information System (INIS)

    Mailen, J.C.; Tallent, O.K.

    1985-04-01

    The degradation products produced in Purex solvent by exposure to nitric acid and radiation can be divided into two groups: those which are removed by scrubbing with sodium carbonate solutions and those which are not; these latter materials are called secondary degradation products. This study investigated the use of solid sorbents for removal of the secondary degradation products from first-cycle Savannah River Plant solvent that had been previously washed with sodium carbonate solution. Silica gel, activated charcoal, macroreticular resin, attapulgite clay and activated alumina were the sorbents investigated in preliminary testing. Activated alumina was found to be most effective for improving phase separation of the solvent from sodium carbonate solutions and for increasing the interfacial tension. The activated alumina was also the sorbent most useful for removing complexants which retain plutonium at low acidity, but it was less effective in removing anionic surfactants and ruthenium. We found that the capacity of the activated alumina was greatly improved by drying the solvent before treatment

  12. Solvent extraction: the coordination chemistry behind extractive metallurgy.

    Science.gov (United States)

    Wilson, A Matthew; Bailey, Phillip J; Tasker, Peter A; Turkington, Jennifer R; Grant, Richard A; Love, Jason B

    2014-01-07

    The modes of action of the commercial solvent extractants used in extractive hydrometallurgy are classified according to whether the recovery process involves the transport of metal cations, M(n+), metalate anions, MXx(n-), or metal salts, MXx into a water-immiscible solvent. Well-established principles of coordination chemistry provide an explanation for the remarkable strengths and selectivities shown by most of these extractants. Reagents which achieve high selectivity when transporting metal cations or metal salts into a water-immiscible solvent usually operate in the inner coordination sphere of the metal and provide donor atom types or dispositions which favour the formation of particularly stable neutral complexes that have high solubility in the hydrocarbons commonly used in recovery processes. In the extraction of metalates, the structures of the neutral assemblies formed in the water-immiscible phase are usually not well defined and the cationic reagents can be assumed to operate in the outer coordination spheres. The formation of secondary bonds in the outer sphere using, for example, electrostatic or H-bonding interactions are favoured by the low polarity of the water-immiscible solvents.

  13. Dielectric properties of nanosilica filled epoxy nanocomposites

    Indian Academy of Sciences (India)

    M G Veena

    Polymer nanocomposites are the 21st century engineering materials with wide range of ... the electronic industry for dielectric materials in electrical insulation ..... be ascribed to the interface barriers and chain entangle- ments towards the ...

  14. The Electrical Breakdown of Thin Dielectric Elastomers

    DEFF Research Database (Denmark)

    Zakaria, Shamsul Bin; Morshuis, Peter H. F.; Yahia, Benslimane Mohamed

    2014-01-01

    Dielectric elastomers are being developed for use in actuators, sensors and generators to be used in various applications, such as artificial eye lids, pressure sensors and human motion energy generators. In order to obtain maximum efficiency, the devices are operated at high electrical fields....... This increases the likelihood for electrical breakdown significantly. Hence, for many applications the performance of the dielectric elastomers is limited by this risk of failure, which is triggered by several factors. Amongst others thermal effects may strongly influence the electrical breakdown strength....... In this study, we model the electrothermal breakdown in thin PDMS based dielectric elastomers in order to evaluate the thermal mechanisms behind the electrical failures. The objective is to predict the operation range of PDMS based dielectric elastomers with respect to the temperature at given electric field...

  15. imide, crystal structure, thermal and dielectric studies

    Indian Academy of Sciences (India)

    methyl imidazolium methylidene bis(trifluoromethanesulfonyl)imide, crystal structure, thermal and dielectric studies. BOUMEDIENE HADDAD1,2,3,∗, TAQIYEDDINE MOUMENE2, DIDIER VILLEMIN1,. JEAN-FRANÇOIS LOHIER1 and EL-HABIB ...

  16. Multiscale dipole relaxation in dielectric materials

    DEFF Research Database (Denmark)

    Hansen, Jesper Schmidt

    2016-01-01

    Dipole relaxation from thermally induced perturbations is investigated on different length scales for dielectric materials. From the continuum dynamical equations for the polarisation, expressions for the transverse and longitudinal dipole autocorrelation functions are derived in the limit where ...

  17. Photoconductivity and dielectric studies of potassium pentaborate

    Indian Academy of Sciences (India)

    Single crystal of potassium pentaborate (KB5) has been grown by solution growth ... equipped with the Gunn Oscillator guided with rectangular wave-guide. ... its dielectric behaviour with the change of frequency has also been investigated.

  18. Infrared and THz spectroscopy of nanostructured dielectrics

    Directory of Open Access Journals (Sweden)

    Jan Petzelt

    2009-09-01

    Full Text Available Results achieved using the infrared/THz spectroscopy of various inhomogeneous dielectrics in the Department of Dielectrics, Institute of Physics, Prague, during the last decade are briefly reviewed. The discussion concerns high-permittivity ceramics with inevitable low-permittivity dead layers along the grain boundaries, relaxor ferroelectrics with highly anisotropic polar nano-regions, classical matrix-type composites, core-shell composites, filled nanoporous glasses, polycrystalline and epitaxial thin films, heterostructures and superlattices on dielectric substrates. The analysis using models based on the effective medium approach is discussed. The importance of depolarizing field and of the percolation of components on the effective ac dielectric response and the excitations contributing to it are emphasized.

  19. Organic dielectrics in high voltage cables

    Energy Technology Data Exchange (ETDEWEB)

    Vermeer, J

    1962-03-01

    It appears that the limit has been reached in the applicability of oil-impregnated paper as the dielectric for ehv cables, as with rising voltages the prevention of conductor losses becomes increasingly difficult, while the dielectric losses of the insulation, increasing as the square of the voltage, contribute to a greater extent to the temperature rise of the conductor. The power transmitting capacity of ehv cables reaches a maximum at 500 to 600 kV for these reasons. Apart from artificial cooling, a substantial improvement can be obtained only with the use of insulating materials with much lower dielectric losses; these can moreover be applied with a smaller wall thickness, but this means higher field strengths. Synthetic polymer materials meet these requirements but can be used successfully only in the form of lapped film tapes impregnated with suitable liquids. The electrical properties of these heterogeneous dielectrics, in particular, their impulse breakdown strengths are studied in detail.

  20. Confinement in the color dielectric model

    International Nuclear Information System (INIS)

    Pirner, H.J.

    1990-01-01

    The paper consists of several parts. In Section 2, I give an introduction to the main physics of lattice gauge theory. Section 3 gives an outline of the colour dielectric model and first numerical results on the effective action after one block-spinning step. Section 4 reviews some new work on the generalization of the colour dielectric model to SU3 colour . (orig./HSI)

  1. Reformulation of Maxwell's equations to incorporate near-solute solvent structure.

    Science.gov (United States)

    Yang, Pei-Kun; Lim, Carmay

    2008-09-04

    Maxwell's equations, which treat electromagnetic interactions between macroscopic charged objects in materials, have explained many phenomena and contributed to many applications in our lives. Derived in 1861 when no methods were available to determine the atomic structure of macromolecules, Maxwell's equations assume the solvent to be a structureless continuum. However, near-solute solvent molecules are highly structured, unlike far-solute bulk solvent molecules. Current methods cannot treat both the near-solute solvent structure and time-dependent electromagnetic interactions in a macroscopic system. Here, we derive "microscopic" electrodynamics equations that can treat macroscopic time-dependent electromagnetic field problems like Maxwell's equations and reproduce the solvent molecular and dipole density distributions observed in molecular dynamics simulations. These equations greatly reduce computational expense by not having to include explicit solvent molecules, yet they treat the solvent electrostatic and van der Waals effects more accurately than continuum models. They provide a foundation to study electromagnetic interactions between molecules in a macroscopic system that are ubiquitous in biology, bioelectromagnetism, and nanotechnology. The general strategy presented herein to incorporate the near-solute solvent structure would enable studies on how complex cellular protein-ligand interactions are affected by electromagnetic radiation, which could help to prevent harmful electromagnetic spectra or find potential therapeutic applications.

  2. Measurement and prediction of aromatic solute distribution coefficients for aqueous-organic solvent systems. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, J.R.; Luthy, R.G.

    1984-06-01

    Experimental and modeling activities were performed to assess techniques for measurement and prediction of distribution coefficients for aromatic solutes between water and immiscible organic solvents. Experiments were performed to measure distribution coefficients in both clean water and wastewater systems, and to assess treatment of a wastewater by solvent extraction. The theoretical portions of this investigation were directed towards development of techniques for prediction of solute-solvent/water distribution coefficients. Experiments were performed to assess treatment of a phenolic-laden coal conversion wastewater by solvent extraction. The results showed that solvent extraction for recovery of phenolic material offered several wastewater processing advantages. Distribution coefficients were measured in clean water and wastewater systems for aromatic solutes of varying functionality with different solvent types. It was found that distribution coefficients for these compounds in clean water systems were not statistically different from distribution coefficients determined in a complex coal conversion process wastewater. These and other aromatic solute distribution coefficient data were employed for evaluation of modeling techniques for prediction of solute-solvent/water distribution coefficients. Eight solvents were selected in order to represent various chemical classes: toluene and benzene (aromatics), hexane and heptane (alkanes), n-octanol (alcohols), n-butyl acetate (esters), diisopropyl ether (ethers), and methylisobutyl ketone (ketones). The aromatic solutes included: nonpolar compounds such as benzene, toluene and naphthalene, phenolic compounds such as phenol, cresol and catechol, nitrogenous aromatics such as aniline, pyridine and aminonaphthalene, and other aromatic solutes such as naphthol, quinolinol and halogenated compounds. 100 references, 20 figures, 34 tables.

  3. Unexpected solvent effects on the UV/Vis absorption spectra of o-cresol in toluene and benzene: in contrast with non-aromatic solvents.

    Science.gov (United States)

    Zheng, Dong; Yuan, Xiang-Ai; Ma, Haibo; Li, Xiaoxiong; Wang, Xizhang; Liu, Ziteng; Ma, Jing

    2018-03-01

    Cresol is a prototype molecule in understanding intermolecular interactions in material and biological systems, because it offers different binding sites with various solvents and protonation states under different pH values. It is found that the UV/Vis absorption spectra of o -cresol in aromatic solvents (benzene, toluene) are characterized by a sharp peak, unlike the broad double-peaks in 11 non-aromatic solvents. Both molecular dynamics simulations and electronic structure calculations revealed the formation of intermolecular π-complexation between o -cresol and aromatic solvents. The thermal movements of solvent and solute molecules render the conformations of o -cresol changing between trans and cis isomers. The π-interaction makes the cis configuration a dominant isomer, hence leading to the single keen-edged UV/Vis absorption peak at approximately 283 nm. The free conformation changes between trans and cis in aqueous solution rationalize the broader absorption peaks in the range of 260-280 nm. The pH dependence of the UV/Vis absorption spectra in aqueous solutions is also rationalized by different protonation states of o -cresol. The explicit solvent model with long-ranged interactions is vital to describe the effects of π-complexation and electrostatic interaction on the UV/Vis absorption spectra of o -cresol in toluene and alkaline aqueous (pH > 10.3) solutions, respectively.

  4. Dielectric and electrical study of PPy doped PVA-PVP films

    Science.gov (United States)

    Jha, Sushma; Tripathi, Deepti

    2018-05-01

    Dielectric parameters of free standing films of pure PVA (PolyvinylAlcohol) and PVA with varying concentrations of PVP(Polyvinylpyrrolidone) and Polypyrrole were prepared and studied in low frequency range (100Hz - 2MHz). The results show that dielectric constant, loss tangent and conductivity increase sharply on increasing the concentration of PVP above 50wt% in polymer matrix. PVA-PVP film with low concentration of PPy showed improvement in the values of complex permittivity, loss tangent and ac conductivity within the experimental frequency range. This eco - friendly polymeric material will be studied for its probable application for RFI/EMI shielding, biosensors, capacitors & insulation purposes.

  5. A general method for synthesis continuous silver nanoshells on dielectric colloids

    International Nuclear Information System (INIS)

    Chen Dong; Liu Huiyu; Liu Jianshu; Ren Xianglin; Meng Xianwei; Wu Wei; Tang Fangqiong

    2008-01-01

    A method for the controlled synthesis of silver nanoshells on various dielectric colloids, such as silica and polystyrene is presented in this study. The complexation of triethanolamine and silver ions is applied here to moderate the availability of the silver ions in the reaction solution, which directly affect the coating process. The morphologies of the particles were studied with transmission electron microscopy and their crystallinity and chemical composition were confirmed by X-ray and electron diffraction. The synthesis conditions were investigated and experimental results show that compact silver shells with easily controlled thickness can be deposited on dielectric cores by this method

  6. Dielectric properties of PMMA/Soot nanocomposites.

    Science.gov (United States)

    Clayton, Lanetra M; Cinke, Martin; Meyyappan, M; Harmon, Julie P

    2007-07-01

    Dielectric analysis (DEA) of relaxation behavior in poly(methyl methacrylate) (PMMA) soot nanocomposites is described herein. The soot, an inexpensive material, consists of carbon nanotubes, amorphous and graphitic carbon and metal particles. Results are compared to earlier studies on PMMA/multi-walled nanotube (MWNT) composites and PMMA/single-walled nanotube (SWNT) composites. The beta relaxation process appeared to be unaffected by the presence of the soot, as was noted earlier in nanotube composites. The gamma relaxation region in PMMA, normally dielectrically inactive, was "awakened" in the PMMA/soot composite. This occurrence is consistent with previously published data on nanotube composites. The dielectric permittivity, s', increased with soot content. The sample with 1% soot exhibited a permittivity (at 100 Hz and 25 degrees C) of 7.3 as compared to 5.1 for neat PMMA. Soot increased the dielectric strength, deltaE, of the composites. The 1% soot sample exhibited a dielectric strength of 6.38, while the neat PMMA had a value of 2.95 at 40 degrees C. The symmetric broadening term (alpha) was slightly higher for the 1% composite at temperatures near the secondary relaxation and near the primary relaxation, but all samples deviated from symmetrical semi-circular behavior (alpha = 1). The impact of the soot filler is seen more clearly in dielectric properties than in mechanical properties studies conducted earlier.

  7. Dielectric loss against piezoelectric power harvesting

    Science.gov (United States)

    Liang, Junrui; Shu-Hung Chung, Henry; Liao, Wei-Hsin

    2014-09-01

    Piezoelectricity is one of the most popular electromechanical transduction mechanisms for constructing kinetic energy harvesting systems. When a standard energy harvesting (SEH) interface circuit, i.e., bridge rectifier plus filter capacitor, is utilized for collecting piezoelectric power, the previous literature showed that the power conversion can be well predicted without much consideration for the effect of dielectric loss. Yet, as the conversion power gets higher by adopting power-boosting interface circuits, such as synchronized switch harvesting on inductor (SSHI), the neglect of dielectric loss might give rise to deviation in harvested power estimation. Given the continuous progress on power-boosting interface circuits, the role of dielectric loss in practical piezoelectric energy harvesting (PEH) systems should receive attention with better evaluation. Based on the integrated equivalent impedance network model, this fast track communication provides a comprehensive study on the susceptibility of harvested power in PEH systems under different conditions. It shows that, dielectric loss always counteracts piezoelectric power harvesting by causing charge leakage across piezoelectric capacitance. In particular, taking corresponding ideal lossless cases as references, the counteractive effect might be aggravated under one of the five conditions: larger dielectric loss tangent, lower vibration frequency, further away from resonance, weaker electromechanical coupling, or using power-boosting interface circuit. These relationships are valuable for the study of PEH systems, as they not only help explain the role of dielectric loss in piezoelectric power harvesting, but also add complementary insights for material, structure, excitation, and circuit considerations towards holistic evaluation and design for practical PEH systems.

  8. Dielectric silicone elastomers with mixed ceramic nanoparticles

    International Nuclear Information System (INIS)

    Stiubianu, George; Bele, Adrian; Cazacu, Maria; Racles, Carmen; Vlad, Stelian; Ignat, Mircea

    2015-01-01

    Highlights: • Composite ceramics nanoparticles (MCN) with zirconium dioxide and lead zirconate. • Dielectric elastomer films wDith PDMS matrix and MCN as dielectric filler. • Hydrophobic character—water resistant and good flexibility specific to siloxanes. • Increased value of dielectric constant with the content of MCN in dielectric films. • Increased energy output from uniaxial deformation of the dielectric elastomer films. - Abstract: A ceramic material consisting in a zirconium dioxide-lead zirconate mixture has been obtained by precipitation method, its composition being proved by wide angle X-ray powder diffraction and energy-dispersive X-ray spectroscopy. The average diameter of the ceramic particles ranged between 50 and 100 nm, as revealed by transmission electron microscopy images. These were surface treated and used as filler for a high molecular mass polydimethylsiloxane-α,ω-diol (Mn = 450,000) prepared in laboratory, the resulted composites being further processed as films and crosslinked. A condensation procedure, unusual for polydimethylsiloxane having such high molecular mass, with a trifunctional silane was approached for the crosslinking. The effect of filler content on electrical and mechanical properties of the resulted materials was studied and it was found that the dielectric permittivity of nanocomposites increased in line with the concentration of ceramic nanoparticles

  9. Dielectric silicone elastomers with mixed ceramic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Stiubianu, George, E-mail: george.stiubianu@icmpp.ro [“Petru Poni” Institute of Macromolecular Chemistry, Aleea Gr. Ghica Voda 41A, Iasi 700487 (Romania); Bele, Adrian; Cazacu, Maria; Racles, Carmen; Vlad, Stelian [“Petru Poni” Institute of Macromolecular Chemistry, Aleea Gr. Ghica Voda 41A, Iasi 700487 (Romania); Ignat, Mircea [National R& D Institute for Electrical Engineering ICPE-CA Bucharest, Splaiul Unirii 313, District 3, Bucharest 030138 (Romania)

    2015-11-15

    Highlights: • Composite ceramics nanoparticles (MCN) with zirconium dioxide and lead zirconate. • Dielectric elastomer films wDith PDMS matrix and MCN as dielectric filler. • Hydrophobic character—water resistant and good flexibility specific to siloxanes. • Increased value of dielectric constant with the content of MCN in dielectric films. • Increased energy output from uniaxial deformation of the dielectric elastomer films. - Abstract: A ceramic material consisting in a zirconium dioxide-lead zirconate mixture has been obtained by precipitation method, its composition being proved by wide angle X-ray powder diffraction and energy-dispersive X-ray spectroscopy. The average diameter of the ceramic particles ranged between 50 and 100 nm, as revealed by transmission electron microscopy images. These were surface treated and used as filler for a high molecular mass polydimethylsiloxane-α,ω-diol (Mn = 450,000) prepared in laboratory, the resulted composites being further processed as films and crosslinked. A condensation procedure, unusual for polydimethylsiloxane having such high molecular mass, with a trifunctional silane was approached for the crosslinking. The effect of filler content on electrical and mechanical properties of the resulted materials was studied and it was found that the dielectric permittivity of nanocomposites increased in line with the concentration of ceramic nanoparticles.

  10. Sustainable development of gree solvent separation process

    OpenAIRE

    Lisickov, Kiril; Fidancevska, Emilija; Grujic, Radoslav; Srebrenkoska, Vineta; Kuvendziev, Stefan

    2011-01-01

    Solvents defi ne a major part of the environmental performance of processes in the chemical industry and impact on cost, safety and health issues. The idea of green solvents expresses the goal to minimize the environmental impact resulting from the use of solvents in chemical production. In spite of conventional separation methods, precise process green technologies are based on the application of modern processes and process equipment as well as control and management...

  11. Supercritical solvent extraction of oil sand bitumen

    Science.gov (United States)

    Imanbayev, Ye. I.; Ongarbayev, Ye. K.; Tileuberdi, Ye.; Mansurov, Z. A.; Golovko, A. K.; Rudyk, S.

    2017-08-01

    The supercritical solvent extraction of bitumen from oil sand studied with organic solvents. The experiments were performed in autoclave reactor at temperature above 255 °C and pressure 29 atm with stirring for 6 h. The reaction resulted in the formation of coke products with mineral part of oil sands. The remaining products separated into SARA fractions. The properties of the obtained products were studied. The supercritical solvent extraction significantly upgraded extracted natural bitumen.

  12. Canyon solvent cleaning with activated alumina

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    This paper presents recent work at SRL concerning the cleaning of solvent extraction solvent used at SRP. The paper explains why we undertook the work, and some laboratory studies on two approaches to solvent cleaning, namely extended carbonate washing and use of solid adsorbents. The paper then discusses scale-up of the preferred method and the results of the full-scale cleaning. 19 figs

  13. Dielectric properties of gadolinium molybdate in low- and infralow frequency electric fields. Diehlektricheskie svojstva molibdata gadoliniya v nizko- i infranizkochastotnykh ehlektricheskikh polyakh

    Energy Technology Data Exchange (ETDEWEB)

    Galiyarova, N M; Gorin, S V; Dontsova, L I; Shil' nikov, A V; Shuvalov, L A [Volgogradskij Inzhenerno-Stroitel' nyj Inst., Volgograd (Russian Federation) AN SSSR, Moscow (Russian Federation). Inst. Kristallografii

    1992-10-01

    Temperature dependences of complex dielectric permittivity of gadolinium molybdate (GMO) in low- (LF) and infralow-frequency (ILF) electric fields with 0.1 V[center dot]cm[sup -1] amplitude within 0.25-10[sup 4] Hz frequency range are studied. Substantial effect of the crystal prehistory on LF and ILF dielectric properties and domain structure state is revealed. An anomalous reduction of complex dielectric permittivity accompanied by the occurrence of the Debye LF-dispersion of permittivity is detected under the sample cooling from a nonpolar phase.

  14. Studies on preparation of some alkaloid complexes and solvent extraction

    Energy Technology Data Exchange (ETDEWEB)

    Mohamed, A A

    1990-12-31

    Describes the various methods available in the literature for the determination of different classes of alkaloids spectrochemical (e.g.spectrophotometry and colorimetry, fluorimetry and phosphorimetry, nephelometry and reiractometry), electrochemical (e.g. polarography, amperometry, conductometry, coulometry and potentiometry), volumetric (e.q. acid-base, iodometry , bromimetry , oxidimetry, complexometry and precipitation ) and miscellaneous methods (e.g.gasliquid chromatography, gravimetry, thermometry and rediometry ) has been discussed. 31 tabs; 29 figs; 402 refs.

  15. Studies on preparation of some alkaloid complexes and solvent extraction

    International Nuclear Information System (INIS)

    Mohamed, A.A.

    1989-01-01

    Describes the various methods available in the literature for the determination of different classes of alkaloids spectrochemical (e.g.spectrophotometry and colorimetry, fluorimetry and phosphorimetry, nephelometry and reiractometry), electrochemical (e.g. polarography, amperometry, conductometry, coulometry and potentiometry), volumetric (e.q. acid-base, iodometry , bromimetry , oxidimetry, complexometry and precipitation ) and miscellaneous methods (e.g.gasliquid chromatography, gravimetry, thermometry and rediometry ) has been discussed

  16. Actinides complexes in solvent extraction. The amide type of extractants

    International Nuclear Information System (INIS)

    Musikas, C.; Condamines, N.; Charbonnel, M.C.; Hubert, H.

    1989-01-01

    The N,N-dialkylamides and the N,N'-tetraalkyl. 2-alkyl 1,3-diamide propane are two promising classes of extractants which could replace advantageously the organophosphorus molecules for the separations of the actinide. The main advantages of the amides lie in their complete incinerability and the small interference of their radiolytic and hydrolytic degradation products for the processes. The actinide extraction chemistry with various amides is reviewed in this paper

  17. Complex phase behavior in solvent-free nonionic surfactants

    DEFF Research Database (Denmark)

    Hillmyer, M.A.; Bates, F.S.; Almdal, K.

    1996-01-01

    Unsolvated block copolymers and surfactant solutions are ''soft materials'' that share a common set of ordered microstructures, A set of polyethyleneoxide-polyethylethylene (PEG-PEE) block copolymers that are chemically similar to the well-known alkane-oxyethylene (C(n)EO(m)) nonionic surfactants...... was synthesized here. The general phase behavior in these materials resembles that of both higher molecular weight block copolymers and lower molecular weight nonionic surfactant solutions. Two of the block copolymers exhibited thermally induced order-order transitions and were studied in detail by small...

  18. Standardization of solvent extraction procedure for determination of uranium in seawater

    International Nuclear Information System (INIS)

    Sukanta Maity; Sahu, S.K.; Pandit, G.G.

    2015-01-01

    Solvent extraction procedure using ammonium pyrolidine dithiocarbamate complexing agent in methyl isobutyl ketone organic phase and acid exchange back-extraction is described for the simultaneous quantitative pre-concentration of uranium in seawater followed by its determination by differential pulse adsorptive stripping voltammetry. Solvent extraction time is optimized for extraction of uranium from seawater. Solvent extraction efficiency for uranium in seawater at different pH was carried out. The method gives a recovery of 98 ± 2 % for 400 mL sample at pH 3.0 ± 0.02, facilitating the rapid and interference free analysis of seawater samples. (author)

  19. Method for the simultaneous recovery of radionuclides from liquid radioactive wastes using a solvent

    Science.gov (United States)

    Romanovskiy, Valeriy Nicholiavich; Smirnov, Igor V.; Babain, Vasiliy A.; Todd, Terry A.; Brewer, Ken N.

    2001-01-01

    The present invention relates to solvents, and methods, for selectively extracting and recovering radionuclides, especially cesium and strontium, rare earths and actinides from liquid radioactive wastes. More specifically, the invention relates to extracting agent solvent compositions comprising complex organoboron compounds, substituted polyethylene glycols, and neutral organophosphorus compounds in a diluent. The preferred solvent comprises a chlorinated cobalt dicarbollide, diphenyl-dibutylmethylenecarbamoylphosphine oxide, PEG-400, and a diluent of phenylpolyfluoroalkyl sulfone. The invention also provides a method of using the invention extracting agents to recover cesium, strontium, rare earths and actinides from liquid radioactive waste.

  20. Solvent for the simultaneous recovery of radionuclides from liquid radioactive wastes

    Science.gov (United States)

    Romanovskiy, Valeriy Nicholiavich; Smirnov, Igor V.; Babain, Vasiliy A.; Todd, Terry A.; Brewer, Ken N.

    2002-01-01

    The present invention relates to solvents, and methods, for selectively extracting and recovering radionuclides, especially cesium and strontium, rare earths and actinides from liquid radioactive wastes. More specifically, the invention relates to extracting agent solvent compositions comprising complex organoboron compounds, substituted polyethylene glycols, and neutral organophosphorus compounds in a diluent. The preferred solvent comprises a chlorinated cobalt dicarbollide, diphenyl-dibutylmethylenecarbamoylphosphine oxide, PEG-400, and a diluent of phenylpolyfluoroalkyl sulfone. The invention also provides a method of using the invention extracting agents to recover cesium, strontium, rare earths and actinides from liquid radioactive waste.