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

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

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

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.

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)

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

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; ...

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)

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.

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.

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

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.

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.

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.

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

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.

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.

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...

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

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...

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.

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.

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 ...

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

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.

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.

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.

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.

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.

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.

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.

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.

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

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.

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)

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.

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...

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. 

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.

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.

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.

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

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.

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

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.

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.

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.

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.

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.

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)

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...

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.

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.

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

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...

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

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

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.

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.

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...

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.

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

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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.

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...

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.

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.

Nitrobenzene anti-parallel dimer formation in non-polar solvents

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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.

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.

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

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

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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.

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.

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.

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.

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.

Modelos contínuos do solvente: fundamentos Continuum solvation models: fundamentals

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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.

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

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

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.

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.

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.

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.

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

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

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.)

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.

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

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.

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

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.

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

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

Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts

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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.

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

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.

High dielectric permittivity and improved mechanical and thermal properties of poly(vinylidene fluoride) composites with low carbon nanotube content: effect of composite processing on phase behavior and dielectric properties.

Science.gov (United States)

Kumar, G Sudheer; Vishnupriya, D; Chary, K Suresh; Patro, T Umasankar

2016-09-23

The composite processing technique and nanofiller concentration and its functionalization significantly alter the properties of polymer nanocomposites. To realize this, multi-walled carbon nanotubes (CNT) were dispersed in a poly(vinylidene fluoride) (PVDF) matrix at carefully selected CNT concentrations by two illustrious methods, such as solution-cast and melt-mixing. Notwithstanding the processing method, CNTs induced predominantly the γ-phase in PVDF, instead of the commonly obtained β-phase upon nanofiller incorporation, and imparted significant improvements in dielectric properties. Acid-treatment of CNT improved its dispersion and interfacial adhesion significantly with PVDF, and induced a higher γ-phase content and better dielectric properties in PVDF as compared to pristine CNT. Further, the γ-phase content was found to be higher in solution-cast composites than that in melt-mixed counterparts, most likely due to solvent-induced crystallization in a controlled environment and slow solvent evaporation in the former case. However, interestingly, the melt-mixed composites showed a significantly higher dielectric constant at the onset of the CNT networked-structure as compared to the solution-cast composites. This suggests the possible role of CNT breakage during melt-mixing, which might lead to higher space-charge polarization at the polymer-CNT interface, and in turn an increased number of pseudo-microcapacitors in these composites than the solution-cast counterparts. Notably, PVDF with 0.13 vol% (volume fraction, f c  = 0.0013) of acid-treated CNTs, prepared by melt-mixing, displayed the relative permittivity of ∼217 and capacitance of ∼5430 pF, loss tangent of ∼0.4 at 1 kHz and an unprecedented figure of merit of ∼10(5). We suggest a simple hypothesis for the γ-phase formation and evolution of the high dielectric constant in these composites. Further, the high-dielectric composite film showed marked improvements in mechanical and thermal

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

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.

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.

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.

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.

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.

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)

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.)

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+)

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)).

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.

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.

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

Molecular structures of (3-aminopropyl)trialkoxysilane on hydroxylated barium titanate nanoparticle surfaces induced by different solvents and their effect on electrical properties of barium titanate based polymer nanocomposites

International Nuclear Information System (INIS)

Fan, Yanyan; Wang, Guanyao; Huang, Xingyi; Bu, Jing; Sun, Xiaojin; Jiang, Pingkai

2016-01-01

Graphical abstract: - Highlights: • The silanization on the surface of hydroxylated barium titanate nanoparticles was introduced by using two kinds of trialkoxysilanes with different solvents (toluene and ethanol), respectively. • Solvents have more remarkable impact on the dielectric properties of the subsequent BT/PVDF nanocomposites than the types of silanes. • The solvents used for BT nanoparticle surface modification exhibit a significant effect on the breakdown strength of the nanocomposites. - Abstract: Surface modification of nanoparticles by grafting silane coupling agents has proven to be a significant approach to improve the interfacial compatibility between inorganic filler and polymer matrix. However, the impact of grafted silane molecular structure after the nanoparticle surface modification, induced by the utilized solvents and the silane alkoxy groups, on the electrical properties of the corresponding nanocomposites, has been seldom investigated. Herein, the silanization on the surface of hydroxylated barium titanate (BT-OH) nanoparticles was introduced by using two kinds of trialkoxysilane, 3-aminopropyltriethoxysilane (AMEO) and 3-aminopropyltrimethoxysilane (AMMO), with different solvents (toluene and ethanol), respectively. Solid-state 13 C, 29 Si nuclear magnetic resonance (NMR) spectroscopy and high-resolution X-ray photoelectron spectroscopy (XPS) were employed to validate the structure differences of alkoxysilane attachment to the nanoparticles. The effect of alkoxysilane structure attached to the nanoparticle surface on the dielectric properties of the BT based poly(vinylidene fluoride) (PVDF) nanocomposites were investigated. The results reveal that the solvents used for BT nanoparticle surface modification exhibit a significant effect on the breakdown strength of the nanocomposites. Nevertheless, the alkoxy groups of silane show a marginal influence on the dielectric properties of the nanocomposites. These research results provide

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

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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

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

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.

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)

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.

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.

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.

/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.

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

Low dielectric constant and moisture-resistant polyimide aerogels containing trifluoromethyl pendent groups

Science.gov (United States)

Wu, Tingting; Dong, Jie; Gan, Feng; Fang, Yuting; Zhao, Xin; Zhang, Qinghua

2018-05-01

Conventional polyimide aerogels made from biphenyl-3,3‧,4,4‧-tetracarboxylic dianydride (BPDA) and 4,4‧-oxidianiline (ODA) exhibit poor resistance to moisture and mechanical properties. In this work, a versatile diamine, 2,2‧-bis-(trifluoromethyl)-4,4‧-diaminobiphenyl (TFMB), is introduced to BPDA/ODA backbone to modify the comprehensive performance of this aerogel. Among all formulations, the resulted polyimide aerogels exhibit the lowest shrinkage and density as well as highest porosity, at the ODA/TFMB molar ratio of 5/5. Dielectric constants and loss tangents of the aerogels fall in the range of 1.29-1.33 and 0.001-0.004, respectively, and more TFMB fractions results in a slightly decrease of dielectric constant and loss tangent. In addition, moisture-resistance of the aerogels are dramatically enhanced as the water absorption decreasing from 415% for BPDA/ODA to 13% for the polyimide aerogel at the ODA/TFMB molar ratio of 7/3, and even to 4% for the homo-BPDA/TFMB polyimide aerogel, showing a superhydrophobic characteristic, which is a great advantage for polyimide aerogels used as low dielectric materials. Meanwhile, all of formulations of aerogels exhibit high absorption capacities for oils and common organic solvents, indicating that these fluorinated polyimide aerogels are good candidates for the separation of oils/organic solvents and water. Mechanical properties and thermal stability of the polyimide aerogels are also raised to varying degrees due to the rigid-rod biphenyl structure introduced by TFMB.

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.

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

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.

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

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.

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...

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.

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.

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.

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

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...

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.

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

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.

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.))

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.

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.

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.

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.

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.

Electrophysical properties of microalloyed alumo-silicate ceramics as active dielectric

Directory of Open Access Journals (Sweden)

Purenović Jelena

2013-01-01

Full Text Available In this paper, electrophysical properties of porous alumo-silicate ceramics, modified by alloying with magnesium and microalloying with aluminum, were investigated. Complex multiphase system, as active microalloyed ceramics, has specific behavior under influence of external electrical field, which involves changes of dielectric losses and impedance, depending on frequency and temperature. Dielectric properties were measured in the frequency range 20 Hz - 1 MHz. Values for permittivity (εr ranged between 140 - 430. Order of magnitude for electrical resistivity was about 106 Ωm, for impedance 104 - 108 Ω, and loss tangent had values about and greater than 0.05. Current flow through active dielectric takes place through dielectric barrier and throughout conduction bands of thin aluminum and magnesium metal films. Permittivity has nonlinear distribution and complex functional dependences because of significant nonhomogeneity of active microalloyed ceramics. Lower values of electrical resistivity are the result of complex electron and ion transfer of charge through solid phase and pores, with decreased potential barriers height, due to the influence of additives, ingredients and defects. [Projekat Ministarstva nauke Republike Srbije, br. III 45012 i br. ON 172057

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.

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

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.

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.

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.)

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...

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.

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.

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.

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.

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.

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

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.

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.

FDTD simulations and analysis of thin sample dielectric properties measurements using coaxial probes

Energy Technology Data Exchange (ETDEWEB)

Bringhurst, S.; Iskander, M.F.; White, M.J. [Univ. of Utah, Salt Lake City, UT (United States). Electrical Engineering Dept.

1996-12-31

A metallized ceramic probe has been designed for high temperature broadband dielectric properties measurements. The probe was fabricated out of an alumina tube and rod as the outer and inner conductors respectively. The alumina was metallized with a 3 mil layer of moly-manganese and then covered with a 0.5 mil protective layer of nickel plating. The probe has been used to make complex dielectric properties measurements over the complete frequency band from 500 MHz to 3 GHz, and for temperatures as high as 1,000 C. A 3D Finite-Difference Time-Domain (FDTD) code was used to help investigate the feasibility of this probe to measure the complex permittivity of thin samples. It is shown that by backing the material under test with a standard material of known dielectric constant, the complex permittivity of thin samples can be measured accurately using the developed FDTD algorithm. This FDTD procedure for making thin sample dielectric properties measurements will be described.

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...

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.

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.

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.

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.

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.

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

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

Dielectric dispersion, relaxation dynamics and thermodynamic studies of Beta-Alanine in aqueous solutions using picoseconds time domain reflectometry

Science.gov (United States)

Vinoth, K.; Ganesh, T.; Senthilkumar, P.; Sylvester, M. Maria; Karunakaran, D. J. S. Anand; Hudge, Praveen; Kumbharkhane, A. C.

2017-09-01

The aqueous solution of beta-alanine characterised and studied by their dispersive dielectric properties and relaxation process in the frequency domain of 10×106 Hz to 30×109 Hz with varying concentration in mole fractions and temperatures. The molecular interaction and dielectric parameters are discussed in terms of counter-ion concentration theory. The static permittivity (ε0), high frequency dielectric permittivity (ε∞) and excess dielectric parameters are accomplished by frequency depended physical properties and relaxation time (τ). Molecular orientation, ordering and correlation factors are reported as confirmation of intermolecular interactions. Ionic conductivity and thermo dynamical properties are concluded with the behaviour of the mixture constituents. Solute-solvent, solute-solute interaction, structure making and breaking abilities of the solute in aqueous medium are interpreted. Fourier Transform Infrared (FTIR) spectra of beta- alanine single crystal and liquid state have been studied. The 13C Nuclear Magnetic Resonance (NMR) spectral studies give the signature for resonating frequencies and chemical shifts of beta-alanine.

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.

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.

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.

Exploring a multi-scale method for molecular simulation in continuum solvent model: Explicit simulation of continuum solvent as an incompressible fluid.

Science.gov (United States)

Xiao, Li; Luo, Ray

2017-12-07

We explored a multi-scale algorithm for the Poisson-Boltzmann continuum solvent model for more robust simulations of biomolecules. In this method, the continuum solvent/solute interface is explicitly simulated with a numerical fluid dynamics procedure, which is tightly coupled to the solute molecular dynamics simulation. There are multiple benefits to adopt such a strategy as presented below. At this stage of the development, only nonelectrostatic interactions, i.e., van der Waals and hydrophobic interactions, are included in the algorithm to assess the quality of the solvent-solute interface generated by the new method. Nevertheless, numerical challenges exist in accurately interpolating the highly nonlinear van der Waals term when solving the finite-difference fluid dynamics equations. We were able to bypass the challenge rigorously by merging the van der Waals potential and pressure together when solving the fluid dynamics equations and by considering its contribution in the free-boundary condition analytically. The multi-scale simulation method was first validated by reproducing the solute-solvent interface of a single atom with analytical solution. Next, we performed the relaxation simulation of a restrained symmetrical monomer and observed a symmetrical solvent interface at equilibrium with detailed surface features resembling those found on the solvent excluded surface. Four typical small molecular complexes were then tested, both volume and force balancing analyses showing that these simple complexes can reach equilibrium within the simulation time window. Finally, we studied the quality of the multi-scale solute-solvent interfaces for the four tested dimer complexes and found that they agree well with the boundaries as sampled in the explicit water simulations.

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.

Molecular structures of (3-aminopropyl)trialkoxysilane on hydroxylated barium titanate nanoparticle surfaces induced by different solvents and their effect on electrical properties of barium titanate based polymer nanocomposites

Science.gov (United States)

Fan, Yanyan; Wang, Guanyao; Huang, Xingyi; Bu, Jing; Sun, Xiaojin; Jiang, Pingkai

2016-02-01

Surface modification of nanoparticles by grafting silane coupling agents has proven to be a significant approach to improve the interfacial compatibility between inorganic filler and polymer matrix. However, the impact of grafted silane molecular structure after the nanoparticle surface modification, induced by the utilized solvents and the silane alkoxy groups, on the electrical properties of the corresponding nanocomposites, has been seldom investigated. Herein, the silanization on the surface of hydroxylated barium titanate (BT-OH) nanoparticles was introduced by using two kinds of trialkoxysilane, 3-aminopropyltriethoxysilane (AMEO) and 3-aminopropyltrimethoxysilane (AMMO), with different solvents (toluene and ethanol), respectively. Solid-state 13C, 29Si nuclear magnetic resonance (NMR) spectroscopy and high-resolution X-ray photoelectron spectroscopy (XPS) were employed to validate the structure differences of alkoxysilane attachment to the nanoparticles. The effect of alkoxysilane structure attached to the nanoparticle surface on the dielectric properties of the BT based poly(vinylidene fluoride) (PVDF) nanocomposites were investigated. The results reveal that the solvents used for BT nanoparticle surface modification exhibit a significant effect on the breakdown strength of the nanocomposites. Nevertheless, the alkoxy groups of silane show a marginal influence on the dielectric properties of the nanocomposites. These research results provide important insights into the fabrication of advanced polymer nanocomposites for dielectric applications.

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)

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.

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.

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.

Method of environmental management for the treatment and the right disposal of hazardous waste. case: contaminated land fuller with dielectric oil

International Nuclear Information System (INIS)

Agudelo, Edison Alexander; Cardona Gallo, Santiago Alonso; Rojano, Benjamin; Ruiz, Orlando Simon

2012-01-01

The environmental management of a dangerous waste understands different stages: generation, minimization, transport, appraisement, treatment and elimination. In this work two technologies are explored for the treatment and the elimination of a dangerous residual (RESPEL, Earth Fuller polluted with dielectric oil): a physical-chemistry and another biological one. For the physic-chemical Technology, was used as solvent and hexane reached a removal of the dielectric oil of around 87% on contaminated earth Fuller, with an ratio Fuller earth: solvent 1:8 w/v, a speed agitation of 100 rpm and a contact time of 30 min. Quality dielectric oil recovered is not suitable for use in electrical equipment, due to its low dielectric strength, low density and poor color. The land reclaimed Fuller had a bulk density of 0.641 g/ml, a density of 2,231 g/ml and a porosity of 72,075%, which indicates that this land is very close in their physical characteristics to Fuller earth clean. Biotechnology for the contaminated soil was treated in a biological reactor or Bioslurry evaluating the stirring speed and time of degradation necessary to achieve adequate levels of decontaminate to provide the waste in a landfill without conventional risk to human health ecosystems and humans, removals were achieved in this system the order of 49.68%, but did not reach the cleanup levels required by the Resolution 1170 of 1997 of DAMA, the result is important as it was believed that high concentrations of hydrocarbons of this type (more than 10 %) are inhibitory to biological activity. Chromatographic monitoring was made 10 hydrocarbon species present in the dielectric oil that are keys in this product.

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.

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

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...

Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions

Energy Technology Data Exchange (ETDEWEB)

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

2015-11-14

Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.

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

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

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.

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

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.

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...

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.

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)

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

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...

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).

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

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.

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.

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.

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 ...

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)

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.

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.

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.

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.

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

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

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)

Influence of different water-ethanol solvent systems on the spectroscopic and physico-chemical properties of the macrocyclic compounds pheophytin and chlorophyll a; Influencia de diferentes sistemas de solvente agua-etanol sobre as propriedades fisico-quimicas e espectroscopicas dos compostos macrociclicos feofitina e clorofila a

Energy Technology Data Exchange (ETDEWEB)

Moreira, Leonardo M.; Rodrigues, Maira R.; Oliveira, Hueder P. M. de [Universidade Camilo Castelo Branco, Sao Jose dos Campos, SP (Brazil); Lima, Adriana [Universidade do Vale do Paraiba, Sao Jose dos Campos, SP (Brazil); Soares, Rafael R. S.; Batistela, Vagner R.; Gerola, Adriana P.; Hioka, Noboru [Universidade Estadual de Maringa (UEM), PR (Brazil). Dept. de Quimica; Severino, Divinomar; Baptista, Mauricio S. [Universidade de Sao Paulo, (USP), SP (Brazil). Inst. de Quimica; Machado, Antonio Eduardo da Hora [Universidade Federal de Uberlandia (UFU), MG (Brazil). Inst. de Quimica

2010-07-01

This work focus on the influence of solvent on the photophysical properties of chlorophyll a and pheophytin. Both compounds are related to the photosynthesis process and are considered prototypes of photosensitizers in Photodynamic Therapy. Fluorescence measurements were developed using water/ethanol mixtures at different compositions, since both solvents could be employed in biological applications. The spectroscopic properties of these compounds undergo profound changes depending on water content in the ethanol due to auto-aggregation processes. The major hydrophobicity and the lower dielectric constant of ethanol when compared with water precluded significantly the auto-aggregation process of these compounds. (author)

Material Science Smart Coatings

Energy Technology Data Exchange (ETDEWEB)

Rubinstein, A. I. [Univ. of Nebraska Medical Center, Omaha, NE (United States); Sabirianov, R. F. [Univ. of Nebraska Medical Center, Omaha, NE (United States); Namavar, Fereydoon [Univ. of Nebraska Medical Center, Omaha, NE (United States)

2014-07-01

The contribution of electrostatic interactions to the free energy of binding between model protein and a ceramic implant surface in the aqueous solvent, considered in the framework of the nonlocal electrostatic model, is calculated as a function of the implant low-frequency dielectric constant. We show that the existence of a dynamically ordered (low-dielectric) interfacial solvent layer at the protein-solvent and ceramic-solvent interface markedly increases charging energy of the protein and ceramic implant, and consequently makes the electrostatic contribution to the protein-ceramic binding energy more favorable (attractive). Our analysis shows that the corresponding electrostatic energy between protein and oxide ceramics depends nonmonotonically on the dielectric constant of ceramic, ε_C. Obtained results indicate that protein can attract electrostatically to the surface if ceramic material has a moderate ε_C below or about 35 (in particularly ZrO₂ or Ta₂O₅). This is in contrast to classical (local) consideration of the solvent, which demonstrates an unfavorable electrostatic interaction of protein with typical metal oxide ceramic materials (ε_C>10). Thus, a solid implant coated by combining oxide ceramic with a reduced dielectric constant can be beneficial to strengthen the electrostatic binding of the protein-implant complex.

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.

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.

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

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.

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.

Studies of Electrolytic Conductivity of Some Polyelectrolyte Solutions: Importance of the Dielectric Friction Effect at High Dilution

Directory of Open Access Journals (Sweden)

Anis Ghazouani

2013-01-01

Full Text Available We present a general description of conductivity behavior of highly charged strong polyelectrolytes in dilute aqueous solutions taking into account the translational dielectric friction on the moving polyions modeled as chains of charged spheres successively bounded and surrounded by solvent molecules. A general formal limiting expression of the equivalent conductivity of these polyelectrolytes is presented in order to distinguish between two concentration regimes and to evaluate the relative interdependence between the ionic condensation effect and the dielectric friction effect, in the range of very dilute solutions for which the stretched conformation is favored. This approach is illustrated by the limiting behaviors of three polyelectrolytes (sodium heparinate, sodium chondroitin sulfate, and sodium polystyrene sulphonate characterized by different chain lengths and by different discontinuous charge distributions.

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.

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

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.

Study of the dielectric properties of barium titanate-polymer composites

International Nuclear Information System (INIS)

Pant, H.C.; Patra, M.K.; Verma, Aditya; Vadera, S.R.; Kumar, N.

2006-01-01

A comparative study of complex dielectric properties has been carried out at the X-band of microwave frequencies of composites of barium titanate (BaTiO 3 ) with two different polymer matrices: insulating polyaniline (PANI) powder (emeraldine base) and maleic resin. From these studies, it is observed that the composites of BaTiO 3 with maleic resin show normal composite behavior and the dielectric constant follows the asymmetric Bruggeman model. In contrast, the composites of BaTiO 3 with PANI show an unusual behavior wherein even at a low concentration of PANI (5 wt.%) there is a drastic reduction in the dielectric constant of BaTiO 3 . This behavior of the dielectric constant is explained on the basis of coating of BaTiO 3 particles by PANI which in turn is attributed to the highly surface adsorbing character. The materials have also been characterized using Fourier transform infrared spectroscopy, powder X-ray diffraction, scanning electron microscopy and optical microscopy studies

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.

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.

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.

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.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson–Boltzmann electrostatics

Science.gov (United States)

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J. Andrew

2015-01-01

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson–Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum–Chandler–Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods. PMID:26723595

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.

Science.gov (United States)

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J Andrew

2015-12-28

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

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.

Solvent Effects in the Hydrogenation of 2-Butanone

Energy Technology Data Exchange (ETDEWEB)

Akpa, B. S.; DAgostino, C.; Gladden, L. F.; Hindle, K.; Manyar, H.; McGregor, J.; Li, Ruoyu; Neurock, Matthew; Sinha, N.; Stitt, E. H.; Weber, D.; Zeitler, J. A.; Rooney, D. W.

2012-03-27

In liquid-phase reaction systems, the role of the solvent is often limited to the simple requirement of dissolving and/or diluting substrates. However, the correct choice, either pure or mixed, can significantly influence both reaction rate and selectivity. For multi-phase heterogeneously catalysed reactions observed variations may be due to changes in mass transfer rates, reaction mechanism, reaction kinetics, adsorption properties and combinations thereof. The liquid-phase hydrogenation of 2-butanone to 2- butanol over a Ru/SiO2 catalyst, for example, shows such complex rate behaviour when varying water/isopropyl alcohol (IPA) solvent ratios. In this paper, we outline a strategy which combines measured rate data with physical property measurements and molecular simulation in order to gain a more fundamental understanding of mixed solvent effects for this heterogeneously catalysed reaction. By combining these techniques, the observed complex behaviour of rate against water fraction is shown to be a combination of both mass transfer and chemical effects.

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

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.

Influence of different water-ethanol solvent systems on the spectroscopic and physico-chemical properties of the macrocyclic compounds pheophytin and chlorophyll a

International Nuclear Information System (INIS)

Moreira, Leonardo M.; Rodrigues, Maira R.; Oliveira, Hueder P. M. de; Lima, Adriana; Soares, Rafael R. S.; Batistela, Vagner R.; Gerola, Adriana P.; Hioka, Noboru; Severino, Divinomar; Baptista, Mauricio S.; Machado, Antonio Eduardo da Hora

2010-01-01

This work focus on the influence of solvent on the photophysical properties of chlorophyll a and pheophytin. Both compounds are related to the photosynthesis process and are considered prototypes of photosensitizers in Photodynamic Therapy. Fluorescence measurements were developed using water/ethanol mixtures at different compositions, since both solvents could be employed in biological applications. The spectroscopic properties of these compounds undergo profound changes depending on water content in the ethanol due to auto-aggregation processes. The major hydrophobicity and the lower dielectric constant of ethanol when compared with water precluded significantly the auto-aggregation process of these compounds. (author)

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...

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

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;.

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...

High-cycle electromechanical aging of dielectric elastomer actuators with carbon-based electrodes

Science.gov (United States)

de Saint-Aubin, C. A.; Rosset, S.; Schlatter, S.; Shea, H.

2018-07-01

We present high-cycle aging tests of dielectric elastomer actuators (DEAs) based on silicone elastomers, reporting on the time-evolution of actuation strain and of electrode resistance over millions of cycles. We compare several types of carbon-based electrodes, and for the first time show how the choice of electrode has a dramatic influence on DEA aging. An expanding circle DEA configuration is used, consisting of a commercial silicone membrane with the following electrodes: commercial carbon grease applied manually, solvent-diluted carbon grease applied by stamping (pad printing), loose carbon black powder applied manually, carbon black powder suspension applied by inkjet-printing, and conductive silicone-carbon composite applied by stamping. The silicone-based DEAs with manually applied carbon grease electrodes show the shortest lifetime of less than 105 cycles at 5% strain, while the inkjet-printed carbon powder and the stamped silicone-carbon composite make for the most reliable devices, with lifetimes greater than 107 cycles at 5% strain. These results are valid for the specific dielectric and electrode configurations that were tested: using other dielectrics or electrode formulations would lead to different lifetimes and failure modes. We find that aging (as seen in the change in resistance and in actuation strain versus cycle number) is independent of the actuation frequency from 10 Hz to 200 Hz, and depends on the total accumulated time the DEA spends in an actuated state.

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.

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.

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

Radiation Characteristics Enhancement of Dielectric Resonator Antenna Using Solid/Discrete Dielectric Lenses

Directory of Open Access Journals (Sweden)

H. A. E. Malhat

2015-02-01

Full Text Available The radiation characteristics of the dielectric resonator antennas (DRA is enhanced using different types of solid and discrete dielectric lenses. One of these approaches is by loading the DRA with planar superstrate, spherical lens, or by discrete lens (transmitarray. The dimensions and dielectric constant of each lens are optimized to maximize the gain of the DRA. A comparison between the radiations characteristics of the DRA loaded with different lenses are introduced. The design of the dielectric transmitarray depends on optimizing the heights of the dielectric material of the unit cell. The optimized transmitarray achieves 7 dBi extra gain over the single DRA with preserving the circular polarization. The proposed antenna is suitable for various applications that need high gain and focused antenna beam.

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...

AC conductivity and dielectric properties of bulk tungsten trioxide (WO3)

Science.gov (United States)

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

2012-11-01

AC conductivity and dielectric properties of tungsten trioxide (WO3) in a pellet form were studied in the frequency range from 42 Hz to 5 MHz with a variation of temperature in the range from 303 K to 463 K. AC conductivity, σac(ω) was found to be a function of ωs where ω is the angular frequency and s is the frequency exponent. The values of s were found to be less than unity and decrease with increasing temperature, which supports the correlated barrier hopping mechanism (CBH) as the dominant mechanism for the conduction in WO3. The dielectric constant (ε‧) and dielectric loss (ε″) were measured. The Cole-Cole diagram determined complex impedance for different temperatures.

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

Study of the dielectric properties of barium titanate-polymer composites

Energy Technology Data Exchange (ETDEWEB)

Pant, H.C. [R and D Laboratory, Defence Laboratory, Camouflage Division, Defence Laboratory Ratanada Palace, Jodhpur 342011, Rajasthan (India); Patra, M.K. [R and D Laboratory, Defence Laboratory, Camouflage Division, Defence Laboratory Ratanada Palace, Jodhpur 342011, Rajasthan (India); Verma, Aditya [R and D Laboratory, Defence Laboratory, Camouflage Division, Defence Laboratory Ratanada Palace, Jodhpur 342011, Rajasthan (India); Vadera, S.R. [R and D Laboratory, Defence Laboratory, Camouflage Division, Defence Laboratory Ratanada Palace, Jodhpur 342011, Rajasthan (India); Kumar, N. [R and D Laboratory, Defence Laboratory, Camouflage Division, Defence Laboratory Ratanada Palace, Jodhpur 342011, Rajasthan (India)]. E-mail: nkjainjd@yahoo.com

2006-07-15

A comparative study of complex dielectric properties has been carried out at the X-band of microwave frequencies of composites of barium titanate (BaTiO{sub 3}) with two different polymer matrices: insulating polyaniline (PANI) powder (emeraldine base) and maleic resin. From these studies, it is observed that the composites of BaTiO{sub 3} with maleic resin show normal composite behavior and the dielectric constant follows the asymmetric Bruggeman model. In contrast, the composites of BaTiO{sub 3} with PANI show an unusual behavior wherein even at a low concentration of PANI (5 wt.%) there is a drastic reduction in the dielectric constant of BaTiO{sub 3}. This behavior of the dielectric constant is explained on the basis of coating of BaTiO{sub 3} particles by PANI which in turn is attributed to the highly surface adsorbing character. The materials have also been characterized using Fourier transform infrared spectroscopy, powder X-ray diffraction, scanning electron microscopy and optical microscopy studies.

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

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.

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

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.

Mechanical, dielectric, and physicochemical properties of impregnating resin based on unsaturated polyesterimides

Science.gov (United States)

Fetouhi, Louiza; Petitgas, Benoit; Dantras, Eric; Martinez-Vega, Juan

2017-10-01

This work aims to characterize the dielectric and the mechanical properties of a resin based on an unsaturated polyesterimide diluted in methacrylate reactive diluents used in the impregnation of rotating machines. The broadband dielectric spectrometry and the dynamic mechanical analysis were used to quantify the changes in dielectric and mechanical properties of the network PEI resin, as a function of temperature and frequency. The network characterizations highlight the presence of two main relaxations, α and α', confirmed by the differential scanning calorimetry analysis, showing the complexity of the chemical composition of this resin. The dielectric spectroscopy shows a significant increase in the dielectric values due to an increase of the material conductivity, while the mechanical spectroscopy shows an important decrease of the polymer rigidity and viscosity expressed by an important decrease in the storage modulus. The PEI resin shows a high reactivity when it is submitted in successive heating ramps, which involves in a post-cross-linking reaction. Contribution to the topical issue "Electrical Engineering Symposium (SGE 2016)", edited by Adel Razek

Dielectric properties of Ga2O3-doped barium iron niobate ceramics

International Nuclear Information System (INIS)

Sanjoom, Kachaporn; Pengpat, Kamonpan; Eitssayeam, Sukum; Tunkasiri, Tawee; Rujijanagul, Gobwute

2014-01-01

Ga-doped BaFe 0.5 Nb 0.5 O 3 (Ba(Fe 1-x Ga x ) 0.5 Nb 0.5 O 3 ) ceramics were fabricated and their properties were investigated. All ceramics showed perovskite structure with cubic symmetry and the solubility of Ga in BFN ceramics had a limit at x = 0.2. Examination of the dielectric spectra indicated that all ceramic samples presented high dielectric constants that were frequency dependent. The x = 0.2 ceramic showed a very high dielectric constant (ε r > 240 000 at 1 kHz) while the x = 0.4 sample exhibited high thermal stability of dielectric constant with low loss tangent from room temperature (RT) to 100 C with ε r > 28 000 (at 1 kHz) when compared to other samples. By using a complex impedance analysis technique, bulk grain, grain boundary, and electrode response were found to affect the dielectric behavior that could be related to the Maxwell-Wagner polarization mechanism. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

The low-frequency dielectric properties of octopus arm muscle measured in vivo

International Nuclear Information System (INIS)

Hart, F.X.; Toll, R.B.; Berner, N.J.; Bennett, N.H.

1996-01-01

The conductance and capacitance of octopus arm are measured in vivo over the frequency range 5 Hz to 1 MHz. Measurement of these parameters for a number of electrode separations permits the determination of the variations in tissue conductivity and dielectric constant with frequency. In the range 1-100 kHz the conductivity is independent of the frequency f and the dielectric constant varies as f -1 . These results, in conjunction with those reported previously for frog skeletal muscle, are consistent with the fractal model for the dielectric properties of animal tissue proposed by Dissado. Transformation of the results to complex impedance spectra indicates the presence of a dispersion above 100 kHz. (author)

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...

Nonlinear electroelastic deformations of dielectric elastomer composites: II - Non-Gaussian elastic dielectrics

Science.gov (United States)

Lefèvre, Victor; Lopez-Pamies, Oscar

2017-02-01

This paper presents an analytical framework to construct approximate homogenization solutions for the macroscopic elastic dielectric response - under finite deformations and finite electric fields - of dielectric elastomer composites with two-phase isotropic particulate microstructures. The central idea consists in employing the homogenization solution derived in Part I of this work for ideal elastic dielectric composites within the context of a nonlinear comparison medium method - this is derived as an extension of the comparison medium method of Lopez-Pamies et al. (2013) in nonlinear elastostatics to the coupled realm of nonlinear electroelastostatics - to generate in turn a corresponding solution for composite materials with non-ideal elastic dielectric constituents. Complementary to this analytical framework, a hybrid finite-element formulation to construct homogenization solutions numerically (in three dimensions) is also presented. The proposed analytical framework is utilized to work out a general approximate homogenization solution for non-Gaussian dielectric elastomers filled with nonlinear elastic dielectric particles that may exhibit polarization saturation. The solution applies to arbitrary (non-percolative) isotropic distributions of filler particles. By construction, it is exact in the limit of small deformations and moderate electric fields. For finite deformations and finite electric fields, its accuracy is demonstrated by means of direct comparisons with finite-element solutions. Aimed at gaining physical insight into the extreme enhancement in electrostriction properties displayed by emerging dielectric elastomer composites, various cases wherein the filler particles are of poly- and mono-disperse sizes and exhibit different types of elastic dielectric behavior are discussed in detail. Contrary to an initial conjecture in the literature, it is found (inter alia) that the isotropic addition of a small volume fraction of stiff (semi

Ceramic-polymer nanocomposites with increased dielectric permittivity and low dielectric loss

International Nuclear Information System (INIS)

Bhardwaj, Sumit; Paul, Joginder; Raina, K. K.; Thakur, N. S.; Kumar, Ravi

2014-01-01

The use of lead free materials in device fabrication is very essential from environmental point of view. We have synthesized the lead free ferroelectric polymer nanocomposite films with increased dielectric properties. Lead free bismuth titanate has been used as active ceramic nanofillers having crystallite size 24nm and PVDF as the polymer matrix. Ferroelectric β-phase of the polymer composite films was confirmed by X-ray diffraction pattern. Mapping data confirms the homogeneous dispersion of ceramic particles into the polymer matrix. Frequency dependent dielectric constant increases up to 43.4 at 100Hz, whereas dielectric loss decreases with 7 wt% bismuth titanate loading. This high dielectric constant lead free ferroelectric polymer films can be used for energy density applications

Scattering Study of Conductive-Dielectric Nano/Micro-Grained Single Crystals Based on Poly(ethylene glycol, Poly(3-hexyl thiophene and Polyaniline

Directory of Open Access Journals (Sweden)

Samira Agbolaghi

2017-12-01

Full Text Available Two types of rod-coil block copolymers including poly(3-hexylthiophene-block-poly(ethylene glycol (P3HT-b-PEG and PEG-block-polyaniline (PANI were synthesized using Grignard metathesis polymerization, Suzuki coupling, and interfacial polymerization. Afterward, two types of single crystals were grown by self-seeding methodology to investigate the coily and rod blocks in grafted brushes and ordered crystalline configurations. The conductive P3HT fibrillar single crystals covered by the dielectric coily PEG oligomers were grown from toluene, xylene, and anisole, and characterized by atomic force microscopy (AFM and grazing wide angle X-ray scattering (GIWAXS. Longer P3HT backbones resulted in folding, whereas shorter ones had a high tendency towards backbone lamination. The effective factors on folding of long P3HT backbones in the single crystal structures were the solvent quality and crystallization temperature. Better solvents due to decelerating the growth condition led to a higher number of foldings. Via increasing the crystallization temperature, the system decreased the folding number to maintain its stability. Poorer solvents also reflected a higher stacking in hexyl side chain and π-π stacking directions. The dielectric lamellar PEG single crystals sandwiched between the PANI nanorods were grown from amyl acetate, and analyzed using the interface distribution function (IDF of SAXS and AFM. The molecular weights of PANI and PEG blocks and crystallization temperature were focused while studying the grown single crystals.

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

Effect of spray-drying with organic solvents on the encapsulation, release and stability of fish oil.

Science.gov (United States)

Encina, Cristian; Márquez-Ruiz, Gloria; Holgado, Francisca; Giménez, Begoña; Vergara, Cristina; Robert, Paz

2018-10-15

Fish-oil (FO) was encapsulated with hydroxypropylcelullose (HPC) by conventional spray-drying with water (FO-water) and solvent spray-drying with ethanol (FO-EtOH), methanol (FO-MeOH) and acetone (FO-Acet) in order to study the effect of the solvent on the encapsulation efficiency (EE), microparticle properties and stability of FO during storage at 40 °C. Results showed that FO-Acet presented the highest EE of FO (92.0%), followed by FO-EtOH (80.4%), FO-MeOH (75.0%) and FO-water (71.1%). A decrease of the dielectric constant increased the EE of FO, promoting triglyceride-polymer interactions instead of oil-in-water emulsion retention. FO release profile in aqueous model was similar for all FO-microparticles, releasing only the surface FO, according to Higuchi model. Oxidative stability of FO significantly improved by spray-drying with MeOH, both in surface and encapsulated oil fractions. In conclusion, encapsulation of FO by solvent spray-drying can be proposed as an alternative technology for encapsulation of hydrophobic molecules. Copyright © 2018 Elsevier Ltd. All rights reserved.

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.

Independence of the effective dielectric constant of an electrolytic solution on the ionic distribution in the linear Poisson-Nernst-Planck model.

Science.gov (United States)

Alexe-Ionescu, A L; Barbero, G; Lelidis, I

2014-08-28

We consider the influence of the spatial dependence of the ions distribution on the effective dielectric constant of an electrolytic solution. We show that in the linear version of the Poisson-Nernst-Planck model, the effective dielectric constant of the solution has to be considered independent of any ionic distribution induced by the external field. This result follows from the fact that, in the linear approximation of the Poisson-Nernst-Planck model, the redistribution of the ions in the solvent due to the external field gives rise to a variation of the dielectric constant that is of the first order in the effective potential, and therefore it has to be neglected in the Poisson's equation that relates the actual electric potential across the electrolytic cell to the bulk density of ions. The analysis is performed in the case where the electrodes are perfectly blocking and the adsorption at the electrodes is negligible, and in the absence of any ion dissociation-recombination effect.

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.

Dielectric spectroscopy as a sensor of membrane headgroup mobility and hydration

DEFF Research Database (Denmark)

Klösgen, B; Reichle, C; Kohlsmann, S

1996-01-01

Dielectric spectroscopy is based on the response of the permanent dipoles to a driving electric field. The phospholipid membrane systems of dimyristoylphosphatidylcholine and dioleoylphosphatidylcholine can be prepared as samples of multilamellar liposomes with a well known amount of interlamellar...... water. For optimal resolution in dielectric spectroscopy one has to design the experimental set-up so that the direction of the permanent headgroup dipole moment is mostly parallel to the field vector of the external radio frequency (rf) electric field in this layered system. A newly developed coaxial...... probe technique makes it possible to sweep the measuring frequency between 1 and 1000 MHz in the temperature range 286-323 K. The response yields both the dispersion (epsilon') and the absorption part (epsilon") of the complex dielectric permittivity, which are attributed to the rotational diffusions...

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.

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

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

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.

Dielectric effect on electric fields in the vicinity of the metal–vacuum–dielectric junction

International Nuclear Information System (INIS)

Chung, M.S.; Mayer, A.; Miskovsky, N.M.; Weiss, B.L.; Cutler, P.H.

2013-01-01

The dielectric effect was theoretically investigated in order to describe the electric field in the vicinity of a junction of a metal, dielectric, and vacuum. The assumption of two-dimensional symmetry of the junction leads to a simple analytic form and to a systematic numerical calculation for the field. The electric field obtained for the triple junction was found to be enhanced or reduced according to a certain criterion determined by the contact angles and dielectric constant. Further numerical calculations of the dielectric effect show that an electric field can experience a larger enhancement or reduction for a quadruple junction than that achieved for the triple junction. It was also found that even though it changes slowly in comparison with the shape effect, the dielectric effect was noticeably large over the entire range of the shape change. - Highlights: ► This work explains how a very strong electric field can be produced due to the dielectric in the vicinity of metal–dielectric contact. ► This work deals with configurations which enhance electric fields using the dielectric effect. The configuration is a type of junction at which metal, vacuum and dielectric meet. ► This work suggests the criterion to determine whether field enhancement occurs or not in the triple junction of metal, vacuum and dielectric. ► This work suggests that a quadruple junction is more effective in enhancing the electric field than a triple junction. The quadruple junction is formed by an additional vacuum portion to the triple junction. ► This work suggests that a triple junction can be a breakthrough candidate for a cold electron source

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.

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.

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.)

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

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.

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.

Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly

Directory of Open Access Journals (Sweden)

Clarisse Gravina Ricci

2018-02-01

Full Text Available Predicting solvation free energies and describing the complex water behavior that plays an important role in essentially all biological processes is a major challenge from the computational standpoint. While an atomistic, explicit description of the solvent can turn out to be too expensive in large biomolecular systems, most implicit solvent methods fail to capture “dewetting” effects and heterogeneous hydration by relying on a pre-established (i.e., guessed solvation interface. Here we focus on the Variational Implicit Solvent Method, an implicit solvent method that adds water “plasticity” back to the picture by formulating the solvation free energy as a functional of all possible solvation interfaces. We survey VISM's applications to the problem of molecular recognition and report some of the most recent efforts to tailor VISM for more challenging scenarios, with the ultimate goal of including thermal fluctuations into the framework. The advances reported herein pave the way to make VISM a uniquely successful approach to characterize complex solvation properties in the recognition and binding of large-scale biomolecular complexes.

Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly

Science.gov (United States)

Ricci, Clarisse Gravina; Li, Bo; Cheng, Li-Tien; Dzubiella, Joachim; McCammon, J. Andrew

2018-01-01

Predicting solvation free energies and describing the complex water behavior that plays an important role in essentially all biological processes is a major challenge from the computational standpoint. While an atomistic, explicit description of the solvent can turn out to be too expensive in large biomolecular systems, most implicit solvent methods fail to capture “dewetting” effects and heterogeneous hydration by relying on a pre-established (i.e., guessed) solvation interface. Here we focus on the Variational Implicit Solvent Method, an implicit solvent method that adds water “plasticity” back to the picture by formulating the solvation free energy as a functional of all possible solvation interfaces. We survey VISM's applications to the problem of molecular recognition and report some of the most recent efforts to tailor VISM for more challenging scenarios, with the ultimate goal of including thermal fluctuations into the framework. The advances reported herein pave the way to make VISM a uniquely successful approach to characterize complex solvation properties in the recognition and binding of large-scale biomolecular complexes. PMID:29484300

The structure of the interface in the solvent mediated interaction of dipolar surfaces

International Nuclear Information System (INIS)

Dzhavakhidze, P.G.; Levadny, V.G.

1987-08-01

Interaction of two dipolar surfaces separated by a polar medium is considered within the framework of nonlocal electrostatics. The dipolar surface layers are modelled as regular lattices with fixed orientation of dipoles which are immersed into the solvent; solvent response is characterized by nonlocal dielectric function. The model is elaborated in order to reveal the role of the dipolar layer discreteness in the electric field produced by one surface and the interaction between two surfaces (which gives rise to the so called ''hydration'' or ''structural'' force acting between mineral surfaces and phospholipid bilayers). The discreteness effects are present only for commensurate lattices. Their special mutual arrangement then may lead to considerable reduction of structural forces, viz. the usual repulsion regime may change at short distances to attraction. Conditions are considered when repulsion is entirely replaced by attraction, i.e. the ''hydration barrier'' disappears. In appended note we discuss the role of solvation of surface dipolar groups. We propose an explanation of why two modes of decay (one with oscillative fine structure) may be present in the dependence of the force upon distance if the surface dipolar groups are immersed deep enough in the solvent and how the long-range oscillative mode disappears when the surface is but weakly solvated. (author). 35 refs, 5 figs

The structure of the interface in the solvent-mediated interaction of dipolar surfaces

International Nuclear Information System (INIS)

Dzhavakhidze, P.G.; Kornyshev, A.A.; Levadny, V.G.

1988-01-01

Interaction of two dipolar surfaces separated by a polar medium is considered within the framework of nonlocal electrostatics. The dipolar-surface layers are modelled as regular lattices with fixed orientation of dipoles which are immersed into the solvent; solvent response is characterized by nonlocal dielectric function. The model is elaborated in order to reveal the role of the dypolar-layer discreteness in the electric field produced by one surface and the interaction between two surfaces (which gives rise to the so-called ''hydration'' or ''structural'' force acting between mineral surfaces and phospholipid bilayers). The discreteness effects are present only for commensurate lattices. Their special mutual arrangement then may lead to considerable reduction of structural forces, viz. the usual repulsion regime may change at short distances to attraction. Conditions are considered when repulsion is entirely replaced by attraction, i.e. the ''hydration barrier'' disappears. In appended note it is discussed the role of solvation of surface dipolar groups. It is proposed an explanation of why two modes of decay (one with oscillative fine structure) may be present in the dependence of the force upon distance, if the surface dipolar groups are immersed deep enough in the solvent, and how the long-range oscillative mode disappears when the surface is but weakly solvated

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.

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

Electron exchange by hexakis(tert-butyl-isocyanide)- and hexakis(cyclohexyl isocyanide)manganese(I,II). Solvent effect on the rate constant and the volume of activation

International Nuclear Information System (INIS)

Stebler, M.; Nielson, R.M.; Siems, W.F.; Hunt, J.P.; Dodgen, H.W.; Wherland, H.W.

1988-01-01

The rate of electron self-exchange of Mn(CNC(CH 3 ) 3 ) 6 +/2+ and Mn(CNC 6 H 11 ) 6 +/2+ as the BF 4 - salts has been measured by 55 Mn NMR line broadening as a function of pressure, temperature, and concentration in acetonitrile, bromobenzene, benzonitrile, acetone, diethyl ketone, methanol, ethanol, methylene chloride, and trimethyl phosphate, and various binary mixtures of methylene chloride, bromobenzene, and acetonitrile. The values of ΔV double dagger obtained are negative and cover a range of ca. 12 cm 3 /mol, which is limited by ion pairing in the solvents of lower dielectric constant. The variation of the ambient pressure rate constant with solvent is qualitatively different for Mn(CNC(CH 3 ) 3 ) 6 +/2+ reaction than was observed for the Mn(CNC 6 H 11 ) 6 +/2+ reaction. This is taken as further evidence for a significant influence of rather subtle differences in solvation on the molecular level that are not approximated by dielectric continuum models. 30 references, 3 tables

Anisotropic Dielectric Properties of Carbon Fiber Reinforced Polymer Composites during Microwave Curing

Science.gov (United States)

Zhang, Linglin; Li, Yingguang; Zhou, Jing

2018-01-01

Microwave cuing technology is a promising alternative to conventional autoclave curing technology in high efficient and energy saving processing of polymer composites. Dielectric properties of composites are key parameters related to the energy conversion efficiency during the microwave curing process. However, existing methods of dielectric measurement cannot be applied to the microwave curing process. This paper presented an offline test method to solve this problem. Firstly, a kinetics model of the polymer composites under microwave curing was established based on differential scanning calorimetry to describe the whole curing process. Then several specially designed samples of different feature cure degrees were prepared and used to reflect the dielectric properties of the composite during microwave curing. It was demonstrated to be a feasible plan for both test accuracy and efficiency through extensive experimental research. Based on this method, the anisotropic complex permittivity of a carbon fiber/epoxy composite during microwave curing was accurately determined. Statistical results indicated that both the dielectric constant and dielectric loss of the composite increased at the initial curing stage, peaked at the maximum reaction rate point and decreased finally during the microwave curing process. Corresponding mechanism has also been systematically investigated in this work.

Field dependent dielectric behaviour of BaxSr1-xTiO3 perovskites

International Nuclear Information System (INIS)

Kukreti, Ashish; Ashok Kumar; Naithani, U.C.

2008-01-01

Using the method of double time thermal Green's function and Kubo formalism, a general expression has been derived for the electric field dependence of the complex dielectric constant of Ba x Sr 1-x TiO 3 ferroelectric crystal in the paraelectric phase from the Silverman-Joseph Hamiltonian augmented with fourth order phonon co-ordinates. The change of mass as well as harmonic force constant between impurity atom and host lattice atoms are taken into account. The frequency, temperature and electric field dependent dielectric constant of Ba x Sr 1-x TiO 3 crystal has been discussed. Dielectric constant increases with increase of applied field. The results are compared with previous experimental and theoretical results. (author)

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.

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

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.

Comparative Assessment of Nonlocal Continuum Solvent Models Exhibiting Overscreening

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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.

Uranium complex recycling method of purifying uranium liquors

International Nuclear Information System (INIS)

Elikan, L.; Lyon, W.L.; Sundar, P.S.

1976-01-01

Uranium is separated from contaminating cations in an aqueous liquor containing uranyl ions. The liquor is mixed with sufficient recycled uranium complex to raise the weight ratio of uranium to said cations preferably to at least about three. The liquor is then extracted with at least enough non-interfering, water-immiscible, organic solvent to theoretically extract about all of the uranium in the liquor. The organic solvent contains a reagent which reacts with the uranyl ions to form a complex soluble in the solvent. If the aqueous liquor is acidic, the organic solvent is then scrubbed with water. The organic solvent is stripped with a solution containing at least enough ammonium carbonate to precipitate the uranium complex. A portion of the uranium complex is recycled and the remainder can be collected and calcined to produce U 3 O 8 or UO 2

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.

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

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

Distribution of multi-component solvents in solvent vapor extraction chamber

Energy Technology Data Exchange (ETDEWEB)

Das, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Marathon Oil Corp., Houston, TX (United States)

2008-10-15

Vapex process performance is sensitive to operating pressures, temperatures and the types of solvent used. The hydrocarbon solvents used in Vapex processes typically have between 5 and 10 per cent hydrocarbon impurities, and the accumulation of dense phases inside the vapor chamber reduces gravity drainage potential. This study investigated the partitioning of solvent compounds inside the vapor chamber during in situ Vapex processes.The aim of the study was to examine how the different components of the mixed solvent partitioned inside the extracted chamber during the oil and vapor phase. A 2-D homogenous reservoir model was used to simulate the Vapex process with a solvent mixture comprised of propane and methane at various percentages. The effect of injecting a hot solvent vapor was also investigated. The study showed that injected methane accumulated at both the top and the extraction interface. Accumulations near the top had a positive impact on solvent confinement in thin reservoirs. Diffusion of the solvent component was controlled by gas phase molecular diffusion, and was much faster than the diffusion of solvent molecules in the liquid phase. The use of hot solvent mixtures slowed the extraction process due to lower solvent solubility in the oil phase. It was concluded that the negative impact on viscosity reduction by dilution was not compensated by rises in temperature. 6 refs., 11 figs.

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)

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.

Cleanup of 7.5% tributyl phosphate/n-paraffin solvent-extraction solvent

International Nuclear Information System (INIS)

Reif, D.J.

1987-02-01

The HM process at the Savannah River Plant 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 which 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 which 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 is discussed

Dielectric Behavior of Low Microwave Loss Unit Cell for All Dielectric Metamaterial

Directory of Open Access Journals (Sweden)

Tianhuan Luo

2015-01-01

Full Text Available With a deep study of the metamaterial, its unit cells have been widely extended from metals to dielectrics. The dielectric based unit cells attract much attention because of the advantage of easy preparation, tunability, and higher frequency response, and so forth. Using the conventional solid state method, we prepared a kind of incipient ferroelectrics (calcium titanate, CaTiO3 with higher microwave permittivity and lower loss, which can be successfully used to construct metamaterials. The temperature and frequency dependence of dielectric constant are also measured under different sintering temperatures. The dielectric spectra showed a slight permittivity decrease with the increase of temperature and exhibited a loss of 0.0005, combined with a higher microwave dielectric constant of ~167 and quality factor Q of 2049. Therefore, CaTiO3 is a kind of versatile and potential metamaterial unit cell. The permittivity of CaTiO3 at higher microwave frequency was also examined in the rectangular waveguide and we got the permittivity of 165, creating a new method to test permittivity at higher microwave frequency.

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

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....

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.

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

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%

Ultrafast OH-stretching frequency shifts of hydrogen- bonded 2-naphthol photoacid-base complexes in solution

Directory of Open Access Journals (Sweden)

Batista VictorS.

2013-03-01

Full Text Available We characterize the transient solvent-dependent OH-stretching frequency shifts of photoacid 2-naphthol hydrogen-bonded with CH3CN in the S0- and S1-states using a combined experimental and theoretical approach, and disentangle specific hydrogen-bonding contributions from nonspecific dielectric response.

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...

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.

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.

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.

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.

Dielectric properties of Ga{sub 2}O{sub 3}-doped barium iron niobate ceramics

Energy Technology Data Exchange (ETDEWEB)

Sanjoom, Kachaporn [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai, 50200 (Thailand); Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Sri Ayutthaya Road, Bangkok, 10400 (Thailand); Pengpat, Kamonpan; Eitssayeam, Sukum; Tunkasiri, Tawee [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai, 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai, 50200 (Thailand); Rujijanagul, Gobwute [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai, 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai, 50200 (Thailand); Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Sri Ayutthaya Road, Bangkok, 10400 (Thailand)

2014-08-15

Ga-doped BaFe{sub 0.5}Nb{sub 0.5}O{sub 3} (Ba(Fe{sub 1-x}Ga{sub x}){sub 0.5}Nb{sub 0.5}O{sub 3}) ceramics were fabricated and their properties were investigated. All ceramics showed perovskite structure with cubic symmetry and the solubility of Ga in BFN ceramics had a limit at x = 0.2. Examination of the dielectric spectra indicated that all ceramic samples presented high dielectric constants that were frequency dependent. The x = 0.2 ceramic showed a very high dielectric constant (ε{sub r} > 240 000 at 1 kHz) while the x = 0.4 sample exhibited high thermal stability of dielectric constant with low loss tangent from room temperature (RT) to 100 C with ε{sub r} > 28 000 (at 1 kHz) when compared to other samples. By using a complex impedance analysis technique, bulk grain, grain boundary, and electrode response were found to affect the dielectric behavior that could be related to the Maxwell-Wagner polarization mechanism. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Phase sensitive molecular dynamics of self-assembly glycolipid thin films: A dielectric spectroscopy investigation

Science.gov (United States)

Velayutham, T. S.; Ng, B. K.; Gan, W. C.; Majid, W. H. Abd.; Hashim, R.; Zahid, N. I.; Chaiprapa, Jitrin

2014-08-01

Glycolipid, found commonly in membranes, is also a liquid crystal material which can self-assemble without the presence of a solvent. Here, the dielectric and conductivity properties of three synthetic glycolipid thin films in different thermotropic liquid crystal phases were investigated over a frequency and temperature range of (10-2-106 Hz) and (303-463 K), respectively. The observed relaxation processes distinguish between the different phases (smectic A, columnar/hexagonal, and bicontinuous cubic Q) and the glycolipid molecular structures. Large dielectric responses were observed in the columnar and bicontinuous cubic phases of the longer branched alkyl chain glycolipids. Glycolipids with the shortest branched alkyl chain experience the most restricted self-assembly dynamic process over the broad temperature range studied compared to the longer ones. A high frequency dielectric absorption (Process I) was observed in all samples. This is related to the dynamics of the hydrogen bond network from the sugar group. An additional low-frequency mechanism (Process II) with a large dielectric strength was observed due to the internal dynamics of the self-assembly organization. Phase sensitive domain heterogeneity in the bicontinuous cubic phase was related to the diffusion of charge carriers. The microscopic features of charge hopping were modelled using the random walk scheme, and two charge carrier hopping lengths were estimated for two glycolipid systems. For Process I, the hopping length is comparable to the hydrogen bond and is related to the dynamics of the hydrogen bond network. Additionally, that for Process II is comparable to the bilayer spacing, hence confirming that this low-frequency mechanism is associated with the internal dynamics within the phase.

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...

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.

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.

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

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.

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.

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.)

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

Accurate Measurements of the Dielectric Constant of Seawater at L Band

Science.gov (United States)

Lang, Roger; Zhou, Yiwen; Utku, Cuneyt; Le Vine, David

2016-01-01

This paper describes measurements of the dielectric constant of seawater at a frequency of 1.413 GHz, the center of the protected band (i.e., passive use only) used in the measurement of sea surface salinity from space. The objective of the measurements is to accurately determine the complex dielectric constant of seawater as a function of salinity and temperature. A resonant cylindrical microwave cavity in transmission mode has been employed to make the measurements. The measurements are made using standard seawater at salinities of 30, 33, 35, and 38 practical salinity units over a range of temperatures from 0 degree C to 35 degree C in 5 degree C intervals. Repeated measurements have been made at each temperature and salinity. Mean values and standard deviations are then computed. The total error budget indicates that the real and imaginary parts of the dielectric constant have a combined standard uncertainty of about 0.3 over the range of salinities and temperatures considered. The measurements are compared with the dielectric constants obtained from the model functions of Klein and Swift and those of Meissner and Wentz. The biggest differences occur at low and high temperatures.

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

Dielectric relaxation behavior and impedance studies of Cu2+ ion doped Mg - Zn spinel nanoferrites

Science.gov (United States)

Choudhary, Pankaj; Varshney, Dinesh

2018-03-01

Cu2+ substituted Mg - Zn nanoferrites is synthesized by low temperature fired sol gel auto combustion method. The spinel nature of nanoferrites was confirmed by lab x-ray technique. Williamson - Hall (W-H) analysis estimate the average crystallite size (22.25-29.19 ± 3 nm) and micro strain induced Mg0.5Zn0.5-xCuxFe2O4 (0.0 ≤ x ≤ 0.5). Raman scattering measurements confirm presence of four active phonon modes. Red shift is observed with enhanced Cu concentration. Dielectric parameters exhibit a non - monotonous dispersion with Cu concentration and interpreted with the support of hopping mechanism and Maxwell-Wagner type of interfacial polarization. The ac conductivity of nanoferrites increases with raising the frequency. Complex electrical modulus reveals a non - Debye type of dielectric relaxation present in nanoferrites. Reactive impedance (Z″) detected an anomalous behavior and is related with resonance effect. Complex impedance demonstrates one semicircle corresponding to the intergrain (grain boundary) resistance and also explains conducting nature of nanoferrites. For x = 0.2, a large semicircle is observed revealing the ohmic nature (minimum potential drop at electrode surface). Dielectric properties were improved for nanoferrites with x = 0.2 and is due to high dielectric constant, conductivity and minimum loss value (∼0.009) at 1 MHz.

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.)

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.

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

Singularities of the transmission coefficient and anomalous scattering by a dielectric slab

Science.gov (United States)

Shestopalov, Yury

2018-03-01

We prove the existence and describe the distribution on the complex plane of the singularities, resonant states (RSs), of the transmission coefficient in the problem of the plane wave scattering by a parallel-plate dielectric slab in free space. It is shown that the transmission coefficient has isolated poles all with nonzero imaginary parts that form countable sets in the complex plane of the refraction index or permittivity of the slab with the only accumulation point at infinity. The transmission coefficient never vanishes and anomalous scattering, when its modulus exceeds unity, occurs at arbitrarily small loss of the dielectric filling the layer. These results are extended to the cases of scattering by arbitrary multi-layer parallel-plane media. Connections are established between RSs, spectral singularities, eigenvalues of the associated Sturm-Liouville problems on the line, and zeros of the corresponding Jost function.

Weak ferromagnetism and temperature dependent dielectric properties of Zn{sub 0.9}Ni{sub 0.1}O diluted magnetic semiconductor

Energy Technology Data Exchange (ETDEWEB)

Ahmed, Raju [Department of Electrical and Electronic Engineering, Shahjalal University of Science and Technology, Sylhet 3114 (Bangladesh); Department of Applied Physics, Electronics and Communication Engineering, University of Dhaka, Dhaka 1000 (Bangladesh); Moslehuddin, A.S.M.; Mahmood, Zahid Hasan [Department of Applied Physics, Electronics and Communication Engineering, University of Dhaka, Dhaka 1000 (Bangladesh); Hossain, A.K.M. Akther, E-mail: akmhossain@phy.buet.ac.bd [Department of Physics, Bangladesh University of Engineering and Technology, Dhaka 1000 (Bangladesh)

2015-03-15

Highlights: • Single phase wurtzite structure was confirmed from XRD analysis. • Weak ferromagnetic behaviour at room temperature. • Pure semiconducting properties confirmed from temperature dependent conductivity. • Smaller dielectric properties at higher frequency. • Possible potential application in high frequency spintronic devices. - Abstract: In this study the room temperature ferromagnetic behaviour and dielectric properties of ZnO based diluted magnetic semiconductor (DMS) have been investigated using nominal chemical composition Zn{sub 0.9}Ni{sub 0.1}O. The X-ray diffraction analysis confirmed formation of single phase hexagonal wurtzite structure. An increase in grain size with increasing sintering temperature was observed from scanning electron microscopy. Field dependent DC magnetization values indicated dominant paramagnetic ordering along with a slight ferromagnetic behaviour at room temperature. Frequency dependent complex initial permeability showed some positive values around 12 at room temperature. In dielectric measurement, an increasing trend of complex permittivity, loss tangent and ac conductivity with increasing temperature were observed. The temperature dependent dispersion curves of dielectric properties revealed clear relaxation at higher temperature. Frequency dependent ac conductivity was found to increase with frequency whereas complex permittivity and loss tangent showed an opposite trend.

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.

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

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.

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....

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.

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...

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

Dielectric Characteristics of Microstructural Changes and Property Evolution in Engineered Materials

Science.gov (United States)

Clifford, Jallisa Janet

Heterogeneous materials are increasingly used in a wide range of applications such as aerospace, civil infrastructure, fuel cells and many others. The ability to take properties from two or more materials to create a material with properties engineered to needs is always very attractive. Hence heterogeneous materials are evolving into more complex formulations in multiple disciplines. Design of microstructure at multiple scales control the global functional properties of these materials and their structures. However, local microstructural changes do not directly cause a proportional change to the global properties (such as strength and stiffness). Instead, local changes follow an evolution process including significant interactions. Therefore, in order to understand property evolution of engineered materials, microstructural changes need to be effectively captured. Characterizing these changes and representing them by material variables will enable us to further improve our material level understanding. In this work, we will demonstrate how microstructural features of heterogeneous materials can be described quantitatively using broadband dielectric spectroscopy (BbDS). The frequency dependent dielectric properties can capture the change in material microstructure and represent these changes in terms of material variables, such as complex permittivity. These changes in terms of material properties can then be linked to a number of different conditions, such as increasing damage due to impact or fatigue. Two different broadband dielectric spectroscopy scanning modes are presented: bulk measurements and continuous scanning to measure dielectric property change as a function of position across the specimen. In this study, we will focus on ceramic materials and fiber reinforced polymer matrix composites as test bed material systems. In the first part of the thesis, we will present how different micro-structural design of porous ceramic materials can be captured

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...

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)

Removing oxygen from a solvent extractant in an uranium recovery process

International Nuclear Information System (INIS)

Hurst, F.J.; Brown, G.M.; Posey, F.A.

1984-01-01

An improvement in effecting uranium recovery from phosphoric acid solutions is provided by sparging dissolved oxygen contained in solutions and solvents used in a reductive stripping stage with an effective volume of a nonoxidizing gas before the introduction of the solutions and solvents into the stage. Effective volumes of nonoxidizing gases, selected from the group consisting of argon, carbon dioxide, carbon monoxide, helium, hydrogen, nitrogen, sulfur dioxide, and mixtures thereof, displace oxygen from the solutions and solvents thereby reduce deleterious effects of oxygen such as excessive consumption of elemental or ferrous and accumulation of complex iron phosphates or cruds

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

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.

Low temperature fabrication of barium titanate hybrid films and their dielectric properties

International Nuclear Information System (INIS)

Kobayashi, Yoshio; Saito, Hirobumi; Kinoshita, Takafumi; Nagao, Daisuke; Konno, Mikio

2011-01-01

A method for incorporating BT nano-crystalline into barium titanate (BT) films is proposed for a low temperature fabrication of high dielectric constant films. BT nanoparticles were synthesized by hydrolysis of a BT complex alkoxide in 2-methoxyethanol (ME)/ethanol cosolvent. As the ME volume fraction in the cosolvent (ME fraction) increased from 0 to 100%, the particle and crystal sizes tended to increase from 13.4 to 30.2 nm and from 15.8 to 31.4 nm, respectively, and the particle dispersion in the solution became more improved. The BT particles were mixed with BT complex alkoxide dissolved in an ME/ethanol cosolvent for preparing a precursor solution that was then spin-coated on a Pt substrate and dried at 150 o C. The dielectric constant of the spin-coated BT hybrid film increased with an increase in the volume fraction of the BT particles in the film. The dissipation factor of the hybrid film tended to decrease with an increase in the ME fraction in the precursor solution. The hybrid film fabricated at a BT fraction of 30% and an ME fraction of 25% attained a dielectric constant as high as 94.5 with a surface roughness of 14.0 nm and a dissipation factor of 0.11.

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

Pair interactions in polyelectrolyte-nanoparticle systems: Influence of dielectric inhomogeneities and the partial dissociation of polymers and nanoparticles

International Nuclear Information System (INIS)

Pryamitsyn, Victor; Ganesan, Venkat

2015-01-01

We study the effective pair interactions between two charged spherical particles in polyelectrolyte solutions using polymer self-consistent field theory. In a recent study [V. Pryamitsyn and V. Ganesan, Macromolecules 47, 6095 (2015)], we considered a model in which the particles possess fixed charge density, the polymers contain a prespecified amount of dissociated charges and, the dielectric constant of the solution was assumed to be homogeneous in space and independent of the polymer concentration. In this article, we present results extending our earlier model to study situations in which either or both the particle and the polymers possess partially dissociable groups. Additionally, we also consider the case when the dielectric constant of the solution depends on the local concentration of the polymers and when the particle’s dielectric constant is lower than that of the solvent. For each case, we quantify the polymer-mediated interactions between the particles as a function of the polymer concentrations and the degree of dissociation of the polymer and particles. Consistent with the results of our previous study, we observe that the polymer-mediated interparticle interactions consist of a short-range attraction and a long-range repulsion. The partial dissociablity of the polymer and particles was seen to have a strong influence on the strength of the repulsive portion of the interactions. Rendering the dielectric permittivity to be inhomogeneous has an even stronger effect on the repulsive interactions and results in changes to the qualitative nature of interactions in some parametric ranges

Temperature-dependent dielectric properties in ITO/AF/Al device

International Nuclear Information System (INIS)

Choi, Hyun-Min; Kim, Won-Jong; Lee, Jong-Yong; Hong, Jin-Woong; Kim, Tae-Wan

2010-01-01

Temperature-dependent dielectric properties were studied in a device with a structure of ITO/amorphous fluoropolymer (AF)/Al. The AF was thermally deposited at a deposition rate of 0.1 A/s to a thickness of 20 nm under a pressure of 5 x 10 -6 Torr. From the dielectric properties of the device, an equivalent circuit for and the equivalent complex impedance Z eq of the device were obtained. The interfacial resistance was found to be approximately 38 Ω. As the temperature was increased, the radius of the Cole-Cole plot and β also increased for a constant applied voltage. However, as the applied voltage was increased, those values decreased at a constant temperature. These behaviors are thought to be due to an orientational polarization effect of the molecules inside the AF layer.

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.

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...

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)

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

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

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.

Reverse Schreinemakers Method for Experimental Analysis of Mixed-Solvent Electrolyte Systems

DEFF Research Database (Denmark)

Fosbøl, Philip Loldrup; Thomsen, Kaj; Stenby, Erling Halfdan

2009-01-01

the reverse Schreinemakers (RS) method. The method is based on simple mass balance principles similar to the wet residues method. It allows for accurate determination of the mixed-solvent phase composition even though part of the solvent may precipitate as complexes between solvent and salt. Discrepancies......A method based on Schreinemakers's tie-line theory of 1893 is derived for determining the composition and phase amounts in solubility experiments for multi-solvent electrolyte systems. The method uses the lever rule in reverse compared to Schreinemakers's wet residue method, and is therefore called...... from determining the composition of salt mixtures by pH titration are discussed, and the derived method significantly improves the obtained result from titration. Furthermore, the method reduces the required experimental work needed for analysis of phase composition. The method is applicable to multi...

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

Investigation on dielectric relaxation of PMMA-grafted natural rubber incorporated with LiCF3SO3

International Nuclear Information System (INIS)

Yap, K.S.; Teo, L.P.; Sim, L.N.; Majid, S.R.; Arof, A.K.

2012-01-01

Natural rubber (NR) grafted with 30 wt% poly (methyl methacrylate) (PMMA) and designated as MG30 has been added with varying amounts of LiCF 3 SO 3 . X-ray diffraction (XRD) shows the samples to be amorphous. Fourier transform infrared (FTIR) spectroscopy indicates complexation between the cation of the salt and the oxygen atom of the C=O and -COO- groups of MG30. From electrochemical impedance spectroscopy (EIS), MG30 with 30 wt% LiCF 3 SO 3 salt exhibits the highest ambient conductivity of 1.69×10 -6 S cm -1 and lowest activation energy of 0.24 eV. The dielectric behavior has been analyzed using dielectric permittivity (ε′), dissipation factor (tan δ) and dielectric modulus (M ⁎ ) of the samples. The dielectric constant of pure MG30 has been estimated to be ∼1.86.

Ion association at discretely-charged dielectric interfaces: Giant charge inversion [Dielectric response controlled ion association at physically heterogeneous surfaces: Giant charge reversal

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhi -Yong [Chongqing Univ. of Technology, Chongqing (China); Univ. of California, Riverside, CA (United States); Wu, Jianzhong [Univ. of California, Riverside, CA (United States)

2017-07-11

Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmed with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Lastly, our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.

A new probe of solvent accessibility of bound photosensitizers. 1. Ruthenium(II) and osmium(II) photosensitizers in sodium lauryl sulfate micelles

International Nuclear Information System (INIS)

Hauenstein, B.L. Jr.; Dressick, W.J.; Buell, S.L.; Demas, J.N.; DeGraff, B.A.

1983-01-01

A new method of measuring solvent accessibility of photosensitizers bound to organized media is presented. In particular, the solvent accessibility of a series of ruthenium(II) and osmium(II) photosensitizers bound to sodium lauryl sulfate micelles has been determined. The method takes advantage of the large solvent deuterium effect on the excited-state lifetimes of these complexes. The solvent accessibility of the bound complexes correlates with the hydrophobicity of the ligands. The potential application of this method to a variety of other systems is mentioned

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.

Microstructure and dielectric properties of biocarbon nanofiber composites

Science.gov (United States)

Dai, Bo; Ren, Yong; Wang, Gaihua; Ma, Yongjun; Zhu, Pei; Li, Shirong

2013-06-01

A kind of web-like carbon with interconnected nanoribbons was fabricated using bacterial cellulose pyrolyzed at various temperatures, and the microwave dielectric properties were investigated. Bacterial cellulose was converted into carbonized bacterial cellulose (CBC) with a novel three-dimensional web built of entangled and interconnected cellulose ribbons when the carbonization temperature was below 1,200°C; the web-like structure was destroyed at a temperature of 1,400°C. Composites of CBC impregnated with paraffin wax exhibited high complex permittivity over a frequency range of 2 to 18 GHz, depending on the carbonization temperature. Both real and imaginary parts were the highest for CBC pyrolyzed at 1,200°C. The complex permittivity also strongly depended on CBC loadings. For 7.5 wt.% loading, the real and imaginary permittivities were about 12 and 4.3, respectively, and the minimum reflection loss was -39 dB at 10.9 GHz. For 30 wt.% loading, the real and imaginary permittivities were about 45 and 80, respectively, and the shielding efficiency was more than 24 dB in the measured frequency range and could be up to 39 dB at 18 GHz. The electromagnetic properties were assumed to correlate with both the dielectric relaxation and the novel web-like structure.

Dielectric spectroscopy in aqueous solutions of paracetamol over the frequency range of 20 Hz to 2 MHz at 293.15 K temperature

Science.gov (United States)

Pandit, T. R.; Rana, V. A.

2018-05-01

Frequency domain dielectric relaxation spectroscopy plays an important role in the study of pharmaceutical drug molecules. The complex relative dielectric permittivity ɛ*(ω) = ɛ' - j ɛ" of aqueous solutions of paracetamol in the frequency range of 20 Hz to 2 MHz at a temperature range of 293.15 K are measured with the help of Agilent precision LCR meter E4980A along with four terminal liquid test fixture Agilent 16452A. Data of complex relative permittivity are used to calculate loss tangent for all concentrations of paracetamol in distilled water. Electrode polarization relaxation time has been calculated for all solutions. Effect of variation of concentrations of paracetamol in distilled water on these dielectric parameters is discussed.

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...

General Solvent-dependent Strategy toward Enhanced Oxygen Reduction Reaction in Graphene/Metal Oxide Nanohybrids: Effects of Nitrogen-containing Solvent

Science.gov (United States)

Kao, Wei-Yao; Chen, Wei-Quan; Chiu, Yu-Hsiang; Ho, Yu-Hsuan; Chen, Chun-Hu

2016-11-01

A general solvent-dependent protocol directly influencing the oxygen reduction reaction (ORR) in metal oxide/graphene nanohybrids has been demonstrated. We conducted the two-step synthesis of cobalt oxide/N-doped graphene nanohybrids (CNG) with solvents of water, ethanol, and dimethylformamide (DMF), representing tree typical categories of aqueous, polar organic, and organic N-containing solvents commonly adopted for graphene nanocomposites preparation. The superior ORR performance of the DMF-hybrids can be attributed to the high nitrogen-doping, aggregation-free hybridization, and unique graphene porous structures. As DMF is the more effective N-source, the spectroscopic results support a catalytic nitrogenation potentially mediated by cobalt-DMF coordination complexes. The wide-distribution of porosity (covering micro-, meso-, to macro-pore) and micron-void assembly of graphene may further enhance the diffusion kinetics for ORR. As the results, CNG by DMF-synthesis exhibits the high ORR activities close to Pt/C (i.e. only 8 mV difference of half-wave potential with electron transfer number of 3.96) with the better durability in the alkaline condition. Additional graphene hybrids comprised of iron and manganese oxides also show the superior ORR activities by DMF-synthesis, confirming the general solvent-dependent protocol to achieve enhanced ORR activities.

Impedance spectroscopic and dielectric analysis of Ba0.7Sr0.3TiO3 thin films

International Nuclear Information System (INIS)

Rouahi, A.; Kahouli, A.; Sylvestre, A.; Defaÿ, E.; Yangui, B.

2012-01-01

Highlights: ► The material exhibits the contribution of both grain and grain boundaries in the electric response of Ba 0.7 Sr 0.3 TiO 3 . ► The plot of normalized complex dielectric modulus and impedance as a function of frequency exhibits both short and long-range conduction in the film. ► The frequency dependence of ac conductivity exhibits a polaron hopping mechanism with activation energy of 0.38 eV. ► The complex dielectric modulus analysis confirmed the presence of a non-Debye type of conductivity relaxation deduced from the KWW function. - Abstract: Polycrystalline Ba 0.7 Sr 0.3 TiO 3 thin film with Pt/BST/Pt/TiO 2 /SiO 2 structure was prepared by ion beam sputtering. The film was post annealed at 700 °C. The dielectric and electric modulus properties were studied by impedance spectroscopy over a wide frequency range [0.1–10 5 Hz] at different temperatures [175–350 °C]. The Nyquist plots (Z″ vs . Z′) show the contribution of both grain and grain boundaries at higher temperature on the electric response of BST thin films. Moreover, the resistance of grains decreases with the rise in temperature and the material exhibits a negative temperature coefficient of resistance. The electric modulus plot indicates the non-Debye type of dielectric relaxation. The values of the activation energy computed from both plots of Z″ and M″ are 0.86 eV and 0.81 eV respectively, which reveals that the species responsible for conduction are the same. The scaling behavior of M ″ /M ″ max shows the temperature independent nature of relaxation time. The plot of normalized complex dielectric modulus and impedance as a function of frequency exhibits both short and long-range conduction in the film.

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.

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.

Solvent dependence of organic exciplex fluorescence studied by magnetic effect on reaction yield (M.A.R.Y) spectroscopy

International Nuclear Information System (INIS)

Pal, K.

2011-01-01

This work aims at understanding the various facets of one of the elementary reactions in nature, the electron transfer reaction using MARY (Magnetic effect on Reaction Yield) spectroscopy as a tool. The prime focus of study by the use this technique was the solvent dependence of organic exciplex fluorescence. Apart from that temperature dependent measurements using MARY spectroscopy have been performed to extract the activation energy parameters of electron transfer reaction. The discovery of magnetic field effect on new system was also a part of our study. The study of solvent dependence of organic exciplex fluorescence using MARY spectroscopy was carried out on the system of 9,10-dimethylanthracene (as the fluorophore) and N,N'-dimethylaniline and 4,4'-Bis(dimethylamino) diphenylmethane (as quenchers) in binary solvent mixtures of toluene/dimethylsulfoxide, benzylacetate/dimethylsulfoxide, toluene/propylenecarbonate and propylacetate/butyronitrile. The work focuses on the use of solvent mixtures rather than pure solvents. The solvent mixtures, tailored to simulate different microenvironemets, were employed to find out the effect of preferential solvation on electron transfer reaction. The contrast in the absolute field effect and linewidth values of the MARY spectra obtained in the four system as a function of dielectric constant scan suggest the imperative effect of concentration fluctuation on the electron transfer reaction. Temperature dependent measurements were performed on the system of N,N,N',N'- tetramethylparaphenylendiamin, photo-ionizing in a mixture of toluene/dimethylsulfoxide. However the sluggish response of the system to temperature changes does not really permit us to extract fruitful results. The magnetic field effect on the much studied system of Perylene/ N.N'-dimethylaniline was discovered for the first time. (author) [de

DC-bias and visible light effect on dielectric characteristics of La0.5Cr0.5TiO3+δ

Directory of Open Access Journals (Sweden)

Yan Chen

2017-10-01

Full Text Available La0.5Cr0.5TiO3+δ ceramic sample was prepared via traditional solid-state reaction route. Frequency and temperature dependence of dielectric permittivity were studied in the range of 102 ~ 106 Hz and of 77 ~ 360 K, respectively. It was observed that extraordinarily high low-frequency dielectric constants appeared at room temperature, and dielectric relaxation peaks shifted to higher temperature with increasing frequency. In the dc-bias studies, it was also found that the dielectric permittivity had obviously dc-bias dependence in low frequency, but independence as the frequency above 14 kHz. Interestingly, the dielectric characteristics of the sample had obvious light dependence at room temperature within the measured frequency range. The results demonstrate that visible light improves the dielectric properties of the ceramic by means of I–V and complex impedance analysis. Keywords: Ceramics, Dielectric properties, Dc-bias dependence, Visible light dependence

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

Caustic-Side Solvent Extraction: Chemical and Physical Properties of the Optimized Solvent

Energy Technology Data Exchange (ETDEWEB)

Delmau, L.H.

2002-10-08

This work was undertaken to optimize the solvent used in the Caustic Side Solvent Extraction (CSSX) process and to measure key chemical and physical properties related to its performance in the removal of cesium from the alkaline high-level salt waste stored in tanks at the Savannah River Site. The need to adjust the solvent composition arose from the prior discovery that the previous baseline solvent was supersaturated with respect to the calixarene extractant. The following solvent-component concentrations in Isopar{reg_sign} L diluent are recommended: 0.007 M calix[4]arene-bis(tert-octylbenzo-crown-6) (BOBCalixC6) extractant, 0.75 M 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol (Cs-7SB) phase modifier, and 0.003 M tri-n-octylamine (TOA) stripping aid. Criteria for this selection included BOBCalixC6 solubility, batch cesium distribution ratios (D{sub Cs}), calculated flowsheet robustness, third-phase formation, coalescence rate (dispersion numbers), and solvent density. Although minor compromises within acceptable limits were made in flowsheet robustness and solvent density, significant benefits were gained in lower risk of third-phase formation and lower solvent cost. Data are also reported for the optimized solvent regarding the temperature dependence of D{sub Cs} in extraction, scrubbing, and stripping (ESS); ESS performance on recycle; partitioning of BOBCalixC6, Cs-7SB, and TOA to aqueous process solutions; partitioning of organic anions; distribution of metals; solvent phase separation at low temperatures; solvent stability to elevated temperatures; and solvent density and viscosity. Overall, the technical risk of the CSSX process has been reduced by resolving previously identified issues and raising no new issues.

Optimisation of the electromagnetic matching of manganese dioxide/multi-wall carbon nanotube composites as dielectric microwave-absorbing materials

International Nuclear Information System (INIS)

Ting, Tzu-Hao; Chiang, Chih-Chia; Lin, Po-Chuan; Lin, Chia-Huei

2013-01-01

An optimised composite sample was prepared using two dielectric materials manganese dioxide (MnO 2 ) and multi-wall carbon nanotubes (MWNTs) in an epoxy-resin matrix. Structural characterisations of both the synthesised manganese dioxide (MnO 2 ) and the multi-wall carbon nanotubes (MWNTs) were performed by using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The microwave absorption properties of dielectric composites with different weight fractions of MnO 2 were investigated by measuring the complex permittivity, the complex permeability and the reflection loss in the 2–18 and 18–40 GHz microwave frequency ranges using the free space method. The complex permittivity varied with the MnO 2 content, and the results show that a high concentration of fillers increased the dielectric constant. Therefore, the appropriate combination of components and experimental conditions can produce materials with specific characteristic for use as wide-band microwave absorbers. - Highlights: ► This paper analyses optimised microwave absorption for MnO 2 /MWNT composites. ► Structural characterisations were performed by using XRD and SEM. ► Increasing MnO 2 content enhances the complex permittivity in MnO 2 /MWNT matrix. ► The reflection loss varies with changes content of MnO 2 for required frequency bands

2,2,2-Trifluoroethanol changes the transition kinetics and subunit interactions in the small bacterial mechanosensitive channel MscS

NARCIS (Netherlands)

Akitake, B.; Spelbrink, R.E.J.; Anishkin, A.; Killian, J.A.; de Kruijff, B.; Sukharev, S.

2007-01-01

2,2,2-Trifluoroethanol (TFE), a low-dielectric solvent, has recently been used as a promising tool to probe the strength of intersubunit interactions in membrane proteins. An analysis of inner membrane proteins of Escherichia coli has identified several SDS-resistant protein complexes that separate

The experimental set-valued index of refraction of dielectric and anelastic media

Directory of Open Access Journals (Sweden)

M. Caputo

2000-06-01

Full Text Available The dielectric parameter, in the generalised Debye form, of all studied substances (Cole and Cole, 1941 contains a rational power of the imaginary frequency which implies that the index of refraction is a multivalued function of the frequency; the same property, concerning the stress strain relation, also applies to anelastic media (Bagley and Torvik, 1983a,b. The multivalued index of refraction implies then that the free modes of dielectric and anelastic media are split into a number of modes which depend on the exponent of the imaginary frequency. In order to estimate if it is possible to observe this splitting, this note computes the parameters appearing in the generalised Debye form of the dielectric parameters of many substances and also the complex anelastic parameter of an anelastic medium. The analysis of the data indicates that, depending on the accuracy of the experimental data, with few exceptions, the splitting is observable.

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 ...

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 ...

Analytical solutions of nonlocal Poisson dielectric models with multiple point charges inside a dielectric sphere

Science.gov (United States)

Xie, Dexuan; Volkmer, Hans W.; Ying, Jinyong

2016-04-01

The nonlocal dielectric approach has led to new models and solvers for predicting electrostatics of proteins (or other biomolecules), but how to validate and compare them remains a challenge. To promote such a study, in this paper, two typical nonlocal dielectric models are revisited. Their analytical solutions are then found in the expressions of simple series for a dielectric sphere containing any number of point charges. As a special case, the analytical solution of the corresponding Poisson dielectric model is also derived in simple series, which significantly improves the well known Kirkwood's double series expansion. Furthermore, a convolution of one nonlocal dielectric solution with a commonly used nonlocal kernel function is obtained, along with the reaction parts of these local and nonlocal solutions. To turn these new series solutions into a valuable research tool, they are programed as a free fortran software package, which can input point charge data directly from a protein data bank file. Consequently, different validation tests can be quickly done on different proteins. Finally, a test example for a protein with 488 atomic charges is reported to demonstrate the differences between the local and nonlocal models as well as the importance of using the reaction parts to develop local and nonlocal dielectric solvers.

Beyond the continuum: how molecular solvent structure affects electrostatics and hydrodynamics at solid-electrolyte interfaces.

Science.gov (United States)

Bonthuis, Douwe Jan; Netz, Roland R

2013-10-03

Standard continuum theory fails to predict several key experimental results of electrostatic and electrokinetic measurements at aqueous electrolyte interfaces. In order to extend the continuum theory to include the effects of molecular solvent structure, we generalize the equations for electrokinetic transport to incorporate a space dependent dielectric profile, viscosity profile, and non-electrostatic interaction potential. All necessary profiles are extracted from atomistic molecular dynamics (MD) simulations. We show that the MD results for the ion-specific distribution of counterions at charged hydrophilic and hydrophobic interfaces are accurately reproduced using the dielectric profile of pure water and a non-electrostatic repulsion in an extended Poisson-Boltzmann equation. The distributions of Na(+) at both surface types and Cl(-) at hydrophilic surfaces can be modeled using linear dielectric response theory, whereas for Cl(-) at hydrophobic surfaces it is necessary to apply nonlinear response theory. The extended Poisson-Boltzmann equation reproduces the experimental values of the double-layer capacitance for many different carbon-based surfaces. In conjunction with a generalized hydrodynamic theory that accounts for a space dependent viscosity, the model captures the experimentally observed saturation of the electrokinetic mobility as a function of the bare surface charge density and the so-called anomalous double-layer conductivity. The two-scale approach employed here-MD simulations and continuum theory-constitutes a successful modeling scheme, providing basic insight into the molecular origins of the static and kinetic properties of charged surfaces, and allowing quantitative modeling at low computational cost.

Dielectric properties of binary solutions a data handbook

CERN Document Server

Akhadov, Y Y

1980-01-01

Dielectric Properties of Binary Solutions focuses on the investigation of the dielectric properties of solutions, as well as the molecular interactions and mechanisms of molecular processes that occur in liquids. The book first discusses the fundamental formulas describing the dielectric properties of liquids and dielectric data for binary systems of non-aqueous solutions. Topics include permittivity and dielectric dispersion parameters of non-aqueous solutions of organic and inorganic compounds. The text also tackles dielectric data for binary systems of aqueous solutions, including permittiv

Volumetric and compressibility behaviour of ionic liquid, 1-n-butyl-3-methylimidazolium hexafluorophosphate and tetrabutylammonium hexafluorophosphate in organic solvents at T = 298.15 K

Energy Technology Data Exchange (ETDEWEB)

Zafarani-Moattar, Mohammed Taghi [Department of Physical Chemistry, Faculty of Chemistry, Excellence of Science for New Materials and Clean Chemistry, Daneshgah Street, University of Tabriz, Tabriz, East Azarbyjan 51664 (Iran, Islamic Republic of)]. E-mail: zafarani47@yahoo.com; Shekaari, Hemayat [Department of Physical Chemistry, Faculty of Chemistry, Excellence of Science for New Materials and Clean Chemistry, Daneshgah Street, University of Tabriz, Tabriz, East Azarbyjan 51664 (Iran, Islamic Republic of)

2006-05-15

Density and speed of sound measurements have been made on the systems containing the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF{sub 6}]) and some organic solvents having a wide range of dielectric constants. Similar studies have been carried out for tetrabutylammonium hexafluorophosphate ([TBA][PF{sub 6}]), which has common anion ([PF{sub 6}]{sup -}) with the studied ionic liquid. For the systems investigated, the apparent molar volumes and apparent molar isentropic compressibilities were determined and fitted to the Redlich-Mayer and the Pitzer equations from which the corresponding limiting values were obtained. These limiting values were used to obtain some information about ion-solvent interactions. Furthermore, using the ionic limiting apparent volume values for [TBA]{sup +} from the literature and limiting apparent molar volume for the ionic liquid and [TBA][PF{sub 6}] obtained in this work, the ionic limiting apparent molar volume values for the cation [BMIM]{sup +} in different organic solvents were also estimated.

Computer augumented modelling studies of Pb(II, Cd(II, Hg(II, Co(II, Ni(II, Cu(II and Zn(II complexes of L-glutamic acid in 1,2-propanediol–water mixtures

Directory of Open Access Journals (Sweden)

MAHESWARA RAO VEGI

2008-12-01

Full Text Available Chemical speciation of Pb(II, Cd(II, Hg(II, Co(II, Ni(II, Cu(II and Zn(II complexes of L-glutamic acid was studied at 303 K in 0–60 vol. % 1,2-propanediol–water mixtures, whereby the ionic strength was maintained at 0.16 mol dm-3. The active forms of the ligand are LH3+, LH2 and LH–. The predominant detected species were ML, ML2, MLH, ML2H and ML2H2. The trend of the variation in the stability constants with changing dielectric constant of the medium is explained based on the cation stabilizing nature of the co-solvents, specific solvent–water interactions, charge dispersion and specific interactions of the co-solvent with the solute. The effect of systematic errors in the concentrations of the substances on the stability constants is in the order alkali > > acid > ligand > metal. The bioavailability and transportation of metals are explained based on distribution diagrams and stability constants.

Silver Nanowire/MnO2 Nanowire Hybrid Polymer Nanocomposites: Materials with High Dielectric Permittivity and Low Dielectric Loss.

Science.gov (United States)

Zeraati, Ali Shayesteh; Arjmand, Mohammad; Sundararaj, Uttandaraman

2017-04-26

This study reports the fabrication of hybrid nanocomposites based on silver nanowire/manganese dioxide nanowire/poly(methyl methacrylate) (AgNW/MnO 2 NW/PMMA), using a solution casting technique, with outstanding dielectric permittivity and low dielectric loss. AgNW was synthesized using the hard-template technique, and MnO 2 NW was synthesized employing a hydrothermal method. The prepared AgNW:MnO 2 NW (2.0:1.0 vol %) hybrid nanocomposite showed a high dielectric permittivity (64 at 8.2 GHz) and low dielectric loss (0.31 at 8.2 GHz), which are among the best reported values in the literature in the X-band frequency range (8.2-12.4 GHz). The superior dielectric properties of the hybrid nanocomposites were attributed to (i) dimensionality match between the nanofillers, which increased their synergy, (ii) better dispersion state of AgNW in the presence of MnO 2 NW, (iii) positioning of ferroelectric MnO 2 NW in between AgNWs, which increased the dielectric permittivity of nanodielectrics, thereby increasing dielectric permittivity of the hybrid nanocomposites, (iv) barrier role of MnO 2 NW, i.e., cutting off the contact spots of AgNWs and leading to lower dielectric loss, and (v) AgNW aligned structure, which increased the effective surface area of AgNWs, as nanoelectrodes. Comparison of the dielectric properties of the developed hybrid nanocomposites with the literature highlights their great potential for flexible capacitors.

Dielectric spectroscopy of Ag-starch nanocomposite films

Science.gov (United States)

Meena; Sharma, Annu

2018-04-01

In the present work Ag-starch nanocomposite films were fabricated via chemical reduction route. The formation of Ag nanoparticles was confirmed using transmission electron microscopy (TEM). Further the effect of varying concentration of Ag nanoparticles on the dielectric properties of starch has been studied. The frequency response of dielectric constant (ε‧), dielectric loss (ε″) and dissipation factor tan(δ) has been studied in the frequency range of 100 Hz to 1 MHz. Dielectric data was further analysed using Cole-Cole plots. The dielectric constant of starch was found to be 4.4 which decreased to 2.35 in Ag-starch nanocomposite film containing 0.50 wt% of Ag nanoparticles. Such nanocomposites with low dielectric constant have potential applications in microelectronic technologies.

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.

The chemistry of nonaqueous solvents v.4 solution phenomena and aprotic solvents

CERN Document Server

Lagowski, J J

1976-01-01

The Chemistry of Nonaqueous Solvents, Volume IV: Solution Phenomena and Aprotic Solvents focuses on the chemistry of nonaqueous solvents, with emphasis on solution phenomena and aprotic solvents such as tetramethylurea, inorganic acid chlorides, cyclic carbonates, and sulfolane. This book is organized into seven chapters and begins with an overview of the theory of electrical conductivity and elementary experimental considerations, along with some of the interesting research on nonaqueous solvents. It then turns to a discussion on hydrogen bonding phenomena in nonaqueous systems as probed

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

Exploring Solvent Shape and Function Using - and Isomer-Selective Vibrational Spectroscopy

Science.gov (United States)

Johnson, Mark

2010-06-01

We illustrate the new types of information than can be obtained through isomer-selective ``hole-burning'' spectroscopy carried out in the vibrational manifolds of Ar-tagged cluster ions. Three examples of increasing complexity will be presented where the changes in a solute ion are correlated with different morphologies of a surrounding solvent cage. In the first, we discuss the weak coupling limit where different hydration morphologies lead to small distortions of a covalent ion. We then introduce the more interesting case of the hydrated electron, where different shapes of the water network lead to dramatic changes in the extent of delocalization in the diffuse excess electron cloud. We then turn to the most complex case involving hydration of the nitrosonium ion, where different arrangements of the same number of water molecules span the range in behavior from simple solvation to actively causing a chemical reaction. The latter results are particularly interesting as they provide a microscopic, molecular-level picture of the ``solvent coordinate'' commonly used to describe solvent mediated processes.

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

Achieving a multi-band metamaterial perfect absorber via a hexagonal ring dielectric resonator

Science.gov (United States)

Li, Li-Yang; Wang, Jun; Du, Hong-Liang; Wang, Jia-Fu; Qu, Shao-Bo

2015-06-01

A multi-band absorber composed of high-permittivity hexagonal ring dielectric resonators and a metallic ground plate is designed in the microwave band. Near-unity absorptions around 9.785 GHz, 11.525 GHz, and 12.37 GHz are observed for this metamaterial absorber. The dielectric hexagonal ring resonator is made of microwave ceramics with high permittivity and low loss. The mechanism for the near-unity absorption is investigated via the dielectric resonator theory. It is found that the absorption results from electric and magnetic resonances where enhanced electromagnetic fields are excited inside the dielectric resonator. In addition, the resonance modes of the hexagonal resonator are similar to those of standard rectangle resonators and can be used for analyzing hexagonal absorbers. Our work provides a new research method as well as a solid foundation for designing and analyzing dielectric metamaterial absorbers with complex shapes. Project supported by the National Natural Science Foundation of China (Grant Nos. 61331005, 11204378, 11274389, 11304393, and 61302023), the Aviation Science Foundation of China (Grant Nos. 20132796018 and 20123196015), the Natural Science Foundation for Post-Doctoral Scientists of China (Grant Nos. 2013M532131 and 2013M532221), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2013JM6005), and the Special Funds for Authors of Annual Excellent Doctoral Degree Dissertations of China (Grant No. 201242).

Research of Steel-dielectric Transition Using Subminiature Eddy-current Transducer

Science.gov (United States)

Dmitriev, S. F.; Malikov, V. N.; Sagalakov, A. M.; Ishkov, A. V.

2018-05-01

The research aims to develop a subminiature transducer for electrical steel investigation. The authors determined the capability to study steel characteristics at different depths based on variations of eddy-current transducer amplitude at the steel-dielectric boundary. A subminiature transformer-type transducer was designed, which enables to perform local investigations of ferromagnetic materials using an eddy-current method based on local studies of the steel electrical conductivity. Having the designed transducer as a basis, a hardware-software complex was built to perform experimental studies of steel at the interface boundary. Test results are reported for a specimen with continuous and discrete measurements taken at different frequencies. The article provides the key technical information about the eddy current transformer used and describes the methodology of measurements that makes it possible to control steel to dielectric transition.

A New Class of Solvents for TRU Dissolution and Separation: Ionic Liquids. Project No. 81891

International Nuclear Information System (INIS)

Rogers, Robin D.

2004-01-01

Through the current EMSP funding, solvent extraction technologies based on liquid-liquid partitioning of TRU to an Ionic Liquid phase containing conventional complexants has been shown to be viable. The growing understanding of the role that the different components of an ionic liquid can have on the partitioning mechanism, and on the nature of the subsequent dissolved species indicates strongly that ionic liquids are not necessarily direct replacements for volatile or otherwise hazardous organic solvents. Separations and partitioning can be exceptionally complex with competing solvent extraction, cation, anion and sacrificial ion exchange mechanisms are all important, depending on the selection of components for formation of the ionic liquid phase, and that control of these competing mechanisms can be utilized to provide new, alternative separations schemes

High-Performance Lithium-Oxygen Battery Electrolyte Derived from Optimum Combination of Solvent and Lithium Salt.

Science.gov (United States)

Ahn, Su Mi; Suk, Jungdon; Kim, Do Youb; Kang, Yongku; Kim, Hwan Kyu; Kim, Dong Wook

2017-10-01

To fabricate a sustainable lithium-oxygen (Li-O 2 ) battery, it is crucial to identify an optimum electrolyte. Herein, it is found that tetramethylene sulfone (TMS) and lithium nitrate (LiNO 3 ) form the optimum electrolyte, which greatly reduces the overpotential at charge, exhibits superior oxygen efficiency, and allows stable cycling for 100 cycles. Linear sweep voltammetry (LSV) and differential electrochemical mass spectrometry (DEMS) analyses reveal that neat TMS is stable to oxidative decomposition and exhibit good compatibility with a lithium metal. But, when TMS is combined with typical lithium salts, its performance is far from satisfactory. However, the TMS electrolyte containing LiNO 3 exhibits a very low overpotential, which minimizes the side reactions and shows high oxygen efficiency. LSV-DEMS study confirms that the TMS-LiNO 3 electrolyte efficiently produces NO 2 - , which initiates a redox shuttle reaction. Interestingly, this NO 2 - /NO 2 redox reaction derived from the LiNO 3 salt is not very effective in solvents other than TMS. Compared with other common Li-O 2 solvents, TMS seems optimum solvent for the efficient use of LiNO 3 salt. Good compatibility with lithium metal, high dielectric constant, and low donicity of TMS are considered to be highly favorable to an efficient NO 2 - /NO 2 redox reaction, which results in a high-performance Li-O 2 battery.

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)

Oblique surface waves at an interface between a metal-dielectric superlattice and an isotropic dielectric

International Nuclear Information System (INIS)

Vuković, Slobodan M; Miret, Juan J; Zapata-Rodriguez, Carlos J; Jakšić, Zoran

2012-01-01

We investigate the existence and dispersion characteristics of surface waves that propagate at an interface between a metal-dielectric superlattice and an isotropic dielectric. Within the long-wavelength limit, when the effective-medium (EM) approximation is valid, the superlattice behaves like a uniaxial plasmonic crystal with the main optical axes perpendicular to the metal-dielectric interfaces. We demonstrate that if such a semi-infinite plasmonic crystal is cut normally to the layer interfaces and brought into contact with a semi-infinite dielectric, a new type of surface mode can appear. Such modes can propagate obliquely to the optical axes if favorable conditions regarding the thickness of the layers and the dielectric permittivities of the constituent materials are met. We show that losses within the metallic layers can be substantially reduced by making the layers sufficiently thin. At the same time, a dramatic enlargement of the range of angles for oblique propagation of the new surface modes is observed. This can lead, however, to field non-locality and consequently to failure of the EM approximation.

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.

A solvent/non-solvent system for achieving solution-processed multilayer organic light-emitting devices

Energy Technology Data Exchange (ETDEWEB)

Yu, Yue; Wu, Zhaoxin, E-mail: zhaoxinwu@mail.xjtu.edu.cn; He, Lin; Jiao, Bo; Hou, Xun

2015-08-31

We developed a solvent/non-solvent system to fabricate the multilayer organic light-emitting devices (OLEDs) based on poly(N-vinylcarbazole) (PVK) by solution-process. This solvent system consists of both the solvent and non-solvent of PVK, in which fluorescent small molecules could be fully dissolved and directly spin-coated on top of the PVK layer; it could effectively avoid the redissolution of PVK during the spin-coating process of small molecules emitting layer. In the further investigation of this system, we also demonstrated the three-component solvent system, and found out that the third component, a less volatile solvent of PVK, was crucial for preparing a smoother interface between PVK and emitting layer. Compared with OLEDs through the vacuum deposition, the devices fabricated by solution-process from the solvent/non-solvent system showed comparable efficiency, which indicate that the solvent/non-solvent system can be used as an alternative process to prepare the polymer and small molecule multilayer devices through all-solution-process. - Highlights: • We fabricate the multilayer OLEDs by solution-process using a novel system. • We develop a solvent/non-solvent system of polymer (PVK) to avoid redissolution. • Small molecules could be fully dissolved and directly spin-coated on PVK layer. • The devices fabricated by the system and vacuum deposition show comparable efficiency.

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

Synthesis, characterization and dielectric properties of polynorbornadiene–clay nanocomposites by ROMP using intercalated Ruthenium catalyst

International Nuclear Information System (INIS)

Yalçınkaya, Esra Evrim; Balcan, Mehmet; Güler, Çetin

2013-01-01

Polynorbornadiene clay nanocomposites were prepared for the first time by the ring opening metathesis polymerization (ROMP) using modified montmorillonite and polynorbornadiene the latter of which is used commonly in electric–electronic industry. The Na–MMT clay was modified by a quaternary ammonium salt containing Ruthenium complex as a suitable catalyst and intercalant as well. The norbornadiene monomers were polymerized within the modified montmorillonite layers by in-situ polymerization method in different clay loading degrees. Intercalation ability of the Ru catalyst and partially exfoliated nanocomposite structure were proved by powder X-ray Diffraction (XRD) Spectroscopy and Transmission Electron Microscopy (TEM) methods. The nanocomposite materials with high thermal degradation temperature and low dielectric constant compared to the pure polynorbornadiene were obtained. The dielectric constants decreased with the increase of the clay content. - Highlights: • Polynorbornadiene–clay nanocomposites were prepared for the first time. • Ruthenium complex was assigned as both suitable catalyst and intercalant. • The norbornadiene was polymerized by in-situ polymerization method. • Exfoliation/intercalation structures were found to be related with loading degree. • PNBD–MMT nanocomposites had a higher thermal degradation temperature and lower dielectric constant

Anisotropy in Ba2Cu3O4Cl2 single crystals grown by the traveling solvent floating zone method

International Nuclear Information System (INIS)

Yamada, Shigeki; Iwagaki, Yohei; Noro, Sumiko

2007-01-01

Magnetic and electrical properties of layered copper oxychloride Ba 2 Cu 3 O 4 Cl 2 single crystals are measured. Single crystal growth of Ba 2 Cu 3 O 4 Cl 2 by the traveling solvent floating zone method is attempted using Ba 3 Cu 2 O 4 Cl 2 as solvent. By optimization of the growth conditions, large single crystals of (φ5mmx30mm) of Ba 2 Cu 3 O 4 Cl 2 are grown. The resistivity with the current parallel to the c-axis is 10 2 -10 3 times larger than that with the current perpendicular to the a-axis. The temperature dependence of the dielectric spectrum for each direction is measured and analyzed by using the Debye model. The spectrum width, which is related to the effective number of electrons (n/m), does not show an appreciable dependence on temperature. The characteristic frequencies at which the dielectric constant changes, which are related to the dissipation (γ), increase with warming. The temperature dependence is almost the same as the resistivity curve. This indicates that the hopping process dominates both DC- and AC-type electrical transport. The spectrum width with the electric field parallel to the a-axis is 30 times larger than that with the electric field parallel to the c-axis. On the other hand, the characteristic frequencies do not show an appreciable dependence on electric field direction

Study of electrical properties of Sc doped BaFe12O19 ceramic using dielectric, impedance, modulus spectroscopy and AC conductivity

Science.gov (United States)

Gupta, Surbhi; Deshpande, S. K.; Sathe, V. G.; Siruguri, V.

2018-04-01

We present dielectric, complex impedance, modulus spectroscopy and AC conductivity studies of the compound BaFe10Sc2O19 as a function of temperature and frequency to understand the conduction mechanism. The variation in complex dielectric constant with frequency and temperature were analyzed on the basis of Maxwell-Wagner-Koop's theory and charge hopping between ferrous and ferric ions. The complex impedance spectroscopy study shows only grain contribution whereas complex modulus plot shows two semicircular arcs which indicate both grain and grain boundary contributions in conduction mechanism. AC conductivity has also been evaluated which follows the Jonscher's law. The activation energy calculated from temperature dependence of DC conductivity comes out to be Ea˜ 0.31eV.

Influence of uranyl dibutylphosphate on the UV/VIS spectrophotometric online monitoring of uranium in tributylphosphate/hydrocarbon solvent

International Nuclear Information System (INIS)

Creech, E.T.; Rutenberg, A.C.; Smithwick, R.W.; Seals, R.D.

1984-01-01

In the uranium recovery process at the Y-12 Plant uranium is recovered from aqueous uranyl solutions by extraction into a solvent consisting of 30% tributylphosphate (TBP) and 70% hydrocarbon solvent. Within this process the uranium is continuously monitored by a UV/VIS absorbance measurement of the uranyl/tributylphosphate complex in the organic phase. The uranium is then further extracted from the organic phase to a final water phase. Dibutylphosphate (DBP), which is a decomposition product of TBP, builds up in the organic solvent. A very strong complex of uranyl/dibutylphosphate is formed which cannot be extracted into the aqueous phase. Prior to this work the uranyl/dibutylphosphate complex absorbance was assumed to be the same as the uranyl tributylphosphate complex. To determine the effect of the presence of uranyl/dibutylphosphate on the continuous UV/VIS monitor required (a) the purification of commercial dibutylphosphate, (b) the synthesis, and (c) the characterization of uranyl/dibutylphosphate

High temperature dielectric relaxation anomaly of Y3+ and Mn2+ doped barium strontium titanate ceramics

International Nuclear Information System (INIS)

Yan, Shiguang; Mao, Chaoliang; Wang, Genshui; Yao, Chunhua; Cao, Fei; Dong, Xianlin

2014-01-01

Relaxation like dielectric anomaly is observed in Y 3+ and Mn 2+ doped barium strontium titanate ceramics when the temperature is over 450 K. Apart from the conventional dielectric relaxation analysis method with Debye or modified Debye equations, which is hard to give exact temperature dependence of the relaxation process, dielectric response in the form of complex impedance, assisted with Cole-Cole impedance model corrected equivalent circuits, is adopted to solve this problem and chase the polarization mechanism in this paper. Through this method, an excellent description to temperature dependence of the dielectric relaxation anomaly and its dominated factors are achieved. Further analysis reveals that the exponential decay of the Cole distribution parameter n with temperature is confirmed to be induced by the microscopic lattice distortion due to ions doping and the interaction between the defects. At last, a clear sight to polarization mechanism containing both the intrinsic dipolar polarization and extrinsic distributed oxygen vacancies hopping response under different temperature is obtained.

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.

Microfluidic Extraction of Biomarkers using Water as Solvent

Science.gov (United States)

Amashukeli, Xenia; Manohara, Harish; Chattopadhyay, Goutam; Mehdi, Imran

2009-01-01

A proposed device, denoted a miniature microfluidic biomarker extractor (mu-EX), would extract trace amounts of chemicals of interest from samples, such as soils and rocks. Traditionally, such extractions are performed on a large scale with hazardous organic solvents; each solvent capable of dissolving only those molecules lying within narrow ranges of specific chemical and physical characteristics that notably include volatility, electric charge, and polarity. In contrast, in the mu-EX, extractions could be performed by use of small amounts (typically between 0.1 and 100 L) of water as a universal solvent. As a rule of thumb, in order to enable solvation and extraction of molecules, it is necessary to use solvents that have polarity sufficiently close to the polarity of the target molecules. The mu-EX would make selection of specific organic solvents unnecessary, because mu-EX would exploit a unique property of liquid water: the possibility of tuning its polarity to match the polarity of organic solvents appropriate for extraction of molecules of interest. The change of the permittivity of water would be achieved by exploiting interactions between the translational states of water molecules and an imposed electromagnetic field in the frequency range of 300 to 600 GHz. On a molecular level, these interactions would result in disruption of the three-dimensional hydrogen-bonding network among liquid-water molecules and subsequent solvation and hydrolysis of target molecules. The mu-EX is expected to be an efficient means of hydrolyzing chemical bonds in complex macromolecules as well and, thus, enabling analysis of the building blocks of these complex chemical systems. The mu-EX device would include a microfluidic channel, part of which would lie within a waveguide coupled to an electronically tuned source of broad-band electromagnetic radiation in the frequency range from 300 to 600 GHz (see figure). The part of the microfluidic channel lying in the waveguide would

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

Solvent sensitivity of smart 3D-printed nanocomposite liquid sensor

Science.gov (United States)

Aliheidari, Nahal; Ameli, Amir; Pötschke, Petra

2018-03-01

Fused deposition modeling (FDM) is one of the 3D printing methods that has attracted significant attention. In this method, small and complex samples with nearly no limitation in geometry can be fabricated layer by layer to form end-use parts. This work investigates the liquid sensing behavior of FDM printed flexible thermoplastic polyurethane, TPU filled with multiwalled carbon nanotubes, MWCNTs. The sensing capability of printed TPU-MWCNT was studied as a function of MWCNT content and infill density in response to different solvents, i.e., ethanol, acetone and toluene. The solvents were selected based on their widespread use and importance in medical and industrial applications. U-shaped liquid sensors with 2, 3 and 4wt.% MWCNT content were printed at three different infill densities of 50, 75 and 100%. Solvent sensitivity was then characterized by immersing the sensors in the solvents and measuring the resistance evolution over 25s. The results indicated a sensitivity order of acetone > toluene > ethanol, which was in agreement with the predictions of FloryHiggins solubility equation. For all the solvents, the sensitivity was enhanced as the infill density of the printed samples was decreased. This was attributed to the increased surface area to volume ratio and shortened diffusion paths. The MWCNT content was also observed to have a profound effect on the sensitivity; in samples with partial infill, the sensitivity was found to be inversely proportional to the MWCNT content, such that the highest resistance change was obtained for nanocomposites with the lowest MWCNT content of 2wt.%. For instance, a resistance increase of more than 10 times was obtained in 25 s once TPU-2wt.%MWCNT with 50% infill was tested against acetone. The results of this work reveals that highly sensitive liquid sensors can be fabricated with the aid of 3D printing without the need for complex processing methods.

Solubility and crystallization of piroxicam from different solvents in evaporative and cooling crystallizations

DEFF Research Database (Denmark)

Qu, Haiyan; Ostergaard, Iben

2018-01-01

polarities; It has been found that the solubility of piroxicam in the solvents is in the following order: chloroform > dichloromethane > acetone > ethyl acetate > acetonitrile > acetic acid > methanol > hexane. Crystallization of piroxicam from different solvents has been performed with evaporative.......Results obtained in the present work showed the stochastic nature of nucleation of different polymorphs as well as the complexity of the crystallization of a polymorphic system....

Analysis of solvent extracts from coal liquefaction in a flowing solvent reactor

Energy Technology Data Exchange (ETDEWEB)

Li, Wen-Ying; Feng, Jie; Xie, Ke-Chang [Key Laboratory of Coal Science and Technology, Taiyuan University of Technology, Ministry of Education and Shanxi Province, No. 79 Yingze West Street, Taiyuan 030024 (China); Kandiyoti, R. [Department of Chemical Engineering and Chemical Technology, Imperial College, University of London, London SW7 2BY (United Kingdom)

2004-10-15

Point of Ayr coal has been extracted using three solvents, tetralin, quinoline and 1-methyl-2-pyrrolidinone (NMP) at two temperatures 350 and 450 C, corresponding approximately to before and after the onset of massive covalent bond scission by pyrolysis. The three solvents differ in solvent power and the ability to donate hydrogen atoms to stabilise free radicals produced by pyrolysis of the coal. The extracts were prepared in a flowing solvent reactor to minimise secondary thermal degradation of the primary extracts. Analysis of the pentane-insoluble fractions of the extracts was achieved by size exclusion chromatography, UV-fluorescence spectroscopy in NMP solvent and probe mass. With increasing extraction temperature, the ratio of the amount having big molecular weight to that having small molecular weight in tetralin extracts was increased; the tetralin extract yield increased from 12.8% to 75.9%; in quinoline, increasing extraction temperature did not have an effect on the molecular weight of products but there was a big increase in extract yield. The extracts in NMP showed the enhanced solvent extraction power at both temperatures, with a shift in the ratio of larger molecules to smaller molecules with increasing extraction temperature and with the highest conversion of Point of Ayr coal among these three solvents at both temperatures. Solvent adducts were detected in the tetralin and quinoline extracts by probe mass spectrometry; solvent products were formed from NMP at both temperatures.

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.

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...

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....

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

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.

Applicability of point-dipoles approximation to all-dielectric metamaterials

DEFF Research Database (Denmark)

Kuznetsova, S. M.; Andryieuski, Andrei; Lavrinenko, Andrei

2015-01-01

All-dielectric metamaterials consisting of high-dielectric inclusions in a low-dielectric matrix are considered as a low-loss alternative to resonant metal-based metamaterials. In this paper we investigate the applicability of the point electric and magnetic dipoles approximation to dielectric meta......-atoms on the example of a dielectric ring metamaterial. Despite the large electrical size of high-dielectric meta-atoms, the dipole approximation allows for accurate prediction of the metamaterials properties for the rings with diameters up to approximate to 0.8 of the lattice constant. The results provide important...... guidelines for design and optimization of all-dielectric metamaterials....

Ion association at discretely-charged dielectric interfaces: Giant charge inversion

Science.gov (United States)

Wang, Zhi-Yong; Wu, Jianzhong

2017-07-01

Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmed with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.

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)

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

Review of recent ORNL studies in solvent cleanup and diluent degradation. Consolidated Fuel-Reprocessing Program

International Nuclear Information System (INIS)

Mailen, J.C.; Tallent, O.K.

1982-01-01

Testing of solvent cleanup methods to replace the use of sodium carbonate in the Purex process has been ongoing for several years in order to reduce the quantity of waste sodium nitrate generated and to improve phase separation. Alternate solvent cleanup methods include the use of packed columns of base-treated silica gel or solvent scrubbing with hydrazine oxalate. Degradation of the diluent was shown to generate long-chain organic acids which appear to be the major culprits in the phase separation problems encountered in sodium carbonate scrubbers. Solvent scrubbing with hydrazine oxalate gives improved phase separations. Solvent cleanup in columns packed with base-treated silica gel avoids the phase separation problem since a dispersable aqueous phase is not present. Removals of TBP degradation products and metal-ion complexes by sodium carbonate, hydrazine salts, or by packed beds of base-treated silica gel are all satisfactory. Solvent scrubbing by hydrazine oxalate solutions is the prime candidate for solvent cleanup in fuel reprocessing plants

Dielectric and Carrier Transport Properties of Silicone Rubber Degraded by Gamma Irradiation

Directory of Open Access Journals (Sweden)

Daomin Min

2017-10-01

Full Text Available Silicone rubber (SiR is used as an insulating material for cables installed in a nuclear power plant. Gamma rays irradiated SiR sheets for various periods at temperatures of 145 and 185 °C, and the resultant changes were analyzed by examining complex permittivity spectra and surface potential decay characteristics. Three different processes, namely, instantaneous polarization, electrode polarization due to the accumulation of ions to form double charge layers at dielectric/electrode interfaces, and DC conduction caused by directional hopping of ions, contribute to the complex permittivity. By fitting the spectra to theoretical equations, we can obtain the dielectric constant at high frequencies, concentration and diffusion coefficient of ions and DC conductivity for the pristine and degraded samples. The instantaneous polarization becomes active with an increase of dose and ageing temperature. The thermal expansion coefficient estimated from the temperature dependence of dielectric constant at high frequencies becomes smaller with an increase in dose, which is in good agreement with the experimental results of the swelling ratio. Additionally, trap distributions are calculated from surface potential decay measurements and analyzed to explain the variation in conductivity. Trap energy increases firstly, and then decreases with an increase in dose, leading to a similar change in DC conductivity. It is concluded that generations of both oxidative products and mobile ions, as well as the occurrence of chain scission and crosslinking are simultaneously induced by gamma rays.

Composites Based on Core-Shell Structured HBCuPc@CNTs-Fe3O4 and Polyarylene Ether Nitriles with Excellent Dielectric and Mechanical Properties

Science.gov (United States)

Pu, Zejun; Zhong, Jiachun; Liu, Xiaobo

2017-10-01

Core-shell structured magnetic carbon nanotubes (CNTs-Fe3O4) coated with hyperbranched copper phthalocyanine (HBCuPc) (HBCuPc@CNTs-Fe3O4) hybrids were prepared by the solvent-thermal method. The results indicated that the HBCuPc molecules were decorated on the surface of CNTs-Fe3O4 through coordination behavior of phthalocyanines, and the CNTs-Fe3O4 core was completely coaxial wrapped by a functional intermediate HBCuPc shell. Then, polymer-based composites with a relatively high dielectric constant and low dielectric loss were fabricated by using core-shell structured HBCuPc@CNTs-Fe3O4 hybrids as fillers and polyarylene ether nitriles (PEN) as the polymer matrix. The cross-sectional scanning electron microscopy (SEM) images of composites showed that there is almost no agglomeration and internal delamination. In addition, the rheological analysis reveals that the core-shell structured HBCuPc@CNTs-Fe3O4 hybrids present better dispersion and stronger interface adhesion with the PEN matrix than CNTs-Fe3O4, thus resulting in significant improvement of the mechanical, thermal and dielectric properties of polymer-based composites.

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...

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...

Finite element analysis and validation of dielectric elastomer actuators used for active origami

International Nuclear Information System (INIS)

McGough, Kevin; Ahmed, Saad; Frecker, Mary; Ounaies, Zoubeida

2014-01-01

The field of active origami explores the incorporation of active materials into origami-inspired structures in order to serve as a means of actuation. Active origami-inspired structures capable of folding into complex three-dimensional (3D) shapes have the potential to be lightweight and versatile compared to traditional methods of actuation. This paper details the finite element analysis and experimental validation of unimorph actuators. Actuators are fabricated by adhering layers of electroded dielectric elastomer (3M VHB F9473PC) onto a passive substrate layer (3M Magic Scotch Tape). Finite element analysis of the actuators simulates the electromechanical coupling of the dielectric elastomer under an applied voltage by applying pressures to the surfaces of the dielectric elastomer where the compliant electrode (conductive carbon grease) is present. 3D finite element analysis of the bending actuators shows that applying contact boundary conditions to the electroded region of the active and passive layers provides better agreement to experimental data compared to modeling the entire actuator as continuous. To improve the applicability of dielectric elastomer-based actuators for active origami-inspired structures, folding actuators are developed by taking advantage of localized deformation caused by a passive layer with non-uniform thickness. Two-dimensional analysis of the folding actuators shows that agreement to experimental data diminishes as localized deformation increases. Limitations of using pressures to approximate the electromechanical coupling of the dielectric elastomer under an applied electric field and additional modeling considerations are also discussed. (paper)

Dielectric properties of biological tissues in which cells are connected by communicating junctions

International Nuclear Information System (INIS)

Asami, Koji

2007-01-01

The frequency dependence of the complex permittivity of biological tissues has been simulated using a simple model that is a cubic array of spherical cells in a parallel plate capacitor. The cells are connected by two types of communicating junctions: one is a membrane-lined channel for plasmodesmata in plant tissues, and the other is a conducting patch of adjoining plasma membranes for gap junctions in animal tissues. Both junctions provided similar effects on the dielectric properties of the tissue model. The model without junction showed a dielectric relaxation (called β-dispersion) that was expected from an interfacial polarization theory for a concentrated suspension of spherical cells. The dielectric relaxation was the same as that of the model in which neighbouring cells were connected by junctions perpendicular to the applied electric field. When neighbouring cells were connected by junctions parallel to the applied electric field or in all directions, a dielectric relaxation appeared at a lower frequency side in addition to the β-dispersion, corresponding to the so called α-dispersion. When junctions were randomly introduced at varied probabilities P j , the low-frequency (LF) relaxation curve became broader, especially at P j of 0.2-0.5, and its intensity was proportional to P j up to 0.7. The intensity and the characteristic frequency of the LF relaxation both decreased with decreasing junction conductance. The simulations indicate that communicating junctions are important for understanding the LF dielectric relaxation in tissues

Dielectric properties of biological tissues in which cells are connected by communicating junctions

Science.gov (United States)

Asami, Koji

2007-06-01

The frequency dependence of the complex permittivity of biological tissues has been simulated using a simple model that is a cubic array of spherical cells in a parallel plate capacitor. The cells are connected by two types of communicating junctions: one is a membrane-lined channel for plasmodesmata in plant tissues, and the other is a conducting patch of adjoining plasma membranes for gap junctions in animal tissues. Both junctions provided similar effects on the dielectric properties of the tissue model. The model without junction showed a dielectric relaxation (called β-dispersion) that was expected from an interfacial polarization theory for a concentrated suspension of spherical cells. The dielectric relaxation was the same as that of the model in which neighbouring cells were connected by junctions perpendicular to the applied electric field. When neighbouring cells were connected by junctions parallel to the applied electric field or in all directions, a dielectric relaxation appeared at a lower frequency side in addition to the β-dispersion, corresponding to the so called α-dispersion. When junctions were randomly introduced at varied probabilities Pj, the low-frequency (LF) relaxation curve became broader, especially at Pj of 0.2-0.5, and its intensity was proportional to Pj up to 0.7. The intensity and the characteristic frequency of the LF relaxation both decreased with decreasing junction conductance. The simulations indicate that communicating junctions are important for understanding the LF dielectric relaxation in tissues.

Trapping-charging ability and electrical properties study of amorphous insulator by dielectric spectroscopy

International Nuclear Information System (INIS)

Mekni, Omar; Arifa, Hakim; Askri, Besma; Yangui, Béchir; Raouadi, Khaled; Damamme, Gilles

2014-01-01

Usually, the trapping phenomenon in insulating materials is studied by injecting charges using a Scanning Electron Microscope. In this work, we use the dielectric spectroscopy technique for showing a correlation between the dielectric properties and the trapping-charging ability of insulating materials. The evolution of the complex permittivity (real and imaginary parts) as a function of frequency and temperature reveals different types of relaxation according to the trapping ability of the material. We found that the space charge relaxation at low frequencies affects the real part of the complex permittivity ε ′ and the dissipation factor Tan(δ). We prove that the evolution of the imaginary part of the complex permittivity against temperature ε ″ =f(T) reflects the phenomenon of charge trapping and detrapping as well as trapped charge evolution Q p (T). We also use the electric modulus formalism to better identify the space charge relaxation. The investigation of trapping or conductive nature of insulating materials was mainly made by studying the activation energy and conductivity. The conduction and trapping parameters are determined using the Correlated Barrier Hopping (CBH) model in order to confirm the relation between electrical properties and charge trapping ability.

Dielectric study on hierarchical water structures restricted in cement and wood materials

International Nuclear Information System (INIS)

Abe, Fumiya; Nishi, Akihiro; Saito, Hironobu; Asano, Megumi; Watanabe, Seiei; Kita, Rio; Shinyashiki, Naoki; Yagihara, Shin; Fukuzaki, Minoru; Sudo, Seiichi; Suzuki, Youki

2017-01-01

Dielectric relaxation processes for mortar observed by broadband dielectric spectroscopy were analyzed in the drying and hydration processes for an aging sample in the frequency region from 1 MHz up to 2 MHz. At least two processes for structured water in the kHz frequency region and another mHz relaxation process affected by ionic behaviors were observed. Comparison of the relaxation parameters obtained for the drying and hydration processes suggests an existence of hierarchical water structures in the exchange of water molecules, which are originally exchanged from free water observed at around 20 GHz. The water molecules reflected in the lower frequency process of the two kHz relaxation processes are more restricted and take more homogeneous structures than the higher kHz relaxation process. These structured water usually hidden in large ionic behaviors for wood samples was observed by electrodes covered by a thin Teflon film, and hierarchical water structures were also suggested for wood samples. Dielectric spectroscopy technique is an effective tool to analyze the new concept of hierarchical water structures in complex materials. (paper)

Solid electrolytes

Science.gov (United States)

Abraham, Kuzhikalail M.; Alamgir, Mohamed

1993-06-15

This invention pertains to Li ion (Li.sup.+) conductive solid polymer electrolytes composed of solvates of Li salts immobilized (encapsulated) in a solid organic polymer matrix. In particular, this invention relates to solid polymer electrolytes derived by immobilizing complexes (solvates) formed between a Li salt such as LiAsF.sub.6, LiCF.sub.3 SO.sub.3 or LiClO.sub.4 and a mixture of aprotic organic solvents having high dielectric constants such as ethylene carbonate (EC) (dielectric constant=89.6) and propylene carbonate (PC) (dielectric constant=64.4) in a polymer matrix such as polyacrylonitrile, poly(tetraethylene glycol diacrylate), or poly(vinyl pyrrolidinone).

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.

An overview of industrial solvent use or is there life after chlorinated solvents?

International Nuclear Information System (INIS)

Green, B.

1991-01-01

Everyone using industrial chemicals has been affected by the fire- storm of new regulations governing solvent use. How will companies currently using hazardous solvents prepare for the changes ahead? What will the impact be on commonly used industrial solvents? What effect are environmental pressures having on solvent use and disposal? Are the responsible individuals in your company up-to-date on phase-out schedules? This paper is written for an audience of compliance coordinators, consultants, production engineers and corporate management. In it, the either addresses the above questions and discusses the specific products affected. The author reviews currently available alternatives to chlorinated and hazardous solvents and introduces a simple system for rating alternatives. The program also includes a discussion of solvent minimization programs and worker reeducation

Dielectric Properties of Flocculated Water-in-Oil Emulsions

Energy Technology Data Exchange (ETDEWEB)

Skodvin, T.

1995-12-31

When an offshore oil field is near completion, water occupies a large fraction of the available pore volume. Thus, in collecting the oil and gas reserves, one has to deal with a high co-production of either formation- or injected water. This doctoral thesis focuses on the effect of water-in-oil emulsions on the dielectric properties, in particular the effect of flocculation. Various dielectric models are applied to obtain methods for qualitative and quantitative characterization of the flocculated state. Permittivity and measurement of dielectric properties are discussed as a basis for the interpretation of the dielectric properties of the emulsions. Various flocculation models are presented. It is concluded that the dielectric properties of water-in-oil emulsions are strongly influenced by continuously ongoing processes in the system. Because of flocculation and sedimentation the traditional dielectric mixture models cannot satisfactorily predict the dielectric behaviour. The experimentally obtained permittivities for the emulsions can be reproduced by including flocculation in the models and treating the floc aggregates as spheroids or subsystems with dielectric properties given by the degree of flocculation. The models discussed have difficulties reproducing the complete frequency behaviour found experimentally. This is probably because the dielectric relaxation may be influenced by processes not included in the models, such as the effects of dipolar or multipolar interactions between the droplets. For further research it is recommended that rheological and dielectric measurements be combined. 227 refs., 61 figs., 16 tabs.

Dielectric Properties of Flocculated Water-in-Oil Emulsions

Energy Technology Data Exchange (ETDEWEB)

Skodvin, T

1996-12-31

When an offshore oil field is near completion, water occupies a large fraction of the available pore volume. Thus, in collecting the oil and gas reserves, one has to deal with a high co-production of either formation- or injected water. This doctoral thesis focuses on the effect of water-in-oil emulsions on the dielectric properties, in particular the effect of flocculation. Various dielectric models are applied to obtain methods for qualitative and quantitative characterization of the flocculated state. Permittivity and measurement of dielectric properties are discussed as a basis for the interpretation of the dielectric properties of the emulsions. Various flocculation models are presented. It is concluded that the dielectric properties of water-in-oil emulsions are strongly influenced by continuously ongoing processes in the system. Because of flocculation and sedimentation the traditional dielectric mixture models cannot satisfactorily predict the dielectric behaviour. The experimentally obtained permittivities for the emulsions can be reproduced by including flocculation in the models and treating the floc aggregates as spheroids or subsystems with dielectric properties given by the degree of flocculation. The models discussed have difficulties reproducing the complete frequency behaviour found experimentally. This is probably because the dielectric relaxation may be influenced by processes not included in the models, such as the effects of dipolar or multipolar interactions between the droplets. For further research it is recommended that rheological and dielectric measurements be combined. 227 refs., 61 figs., 16 tabs.

Reel-to-Reel Atmospheric Pressure Dielectric Barrier Discharge (DBD Plasma Treatment of Polypropylene Films

Directory of Open Access Journals (Sweden)

Lukas JW Seidelmann

2017-03-01

Full Text Available Atmospheric pressure plasma treatment of the surface of a polypropylene film can significantly increase its surface energy and, thereby improve the printability of the film. A laboratory-scale dielectric barrier discharge (DBD system has therefore been developed, which simulates the electrode configuration and reel-to-reel web transport mechanism used in a typical industrial-scale system. By treating the polypropylene in a nitrogen discharge, we have shown that the water contact angle could be reduced by as much as 40° compared to the untreated film, corresponding to an increase in surface energy of 14 mNm−1. Ink pull-off tests showed that the DBD plasma treatment resulted in excellent adhesion of solvent-based inks to the polypropylene film.

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.