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Sample records for pseudo-binary ionic crystals

  1. Thermotropic Ionic Liquid Crystals

    Science.gov (United States)

    Axenov, Kirill V.; Laschat, Sabine

    2011-01-01

    The last five years’ achievements in the synthesis and investigation of thermotropic ionic liquid crystals are reviewed. The present review describes the mesomorphic properties displayed by organic, as well as metal-containing ionic mesogens. In addition, a short overview on the ionic polymer and self-assembled liquid crystals is given. Potential and actual applications of ionic mesogens are also discussed. PMID:28879986

  2. Thermotropic Ionic Liquid Crystals.

    Science.gov (United States)

    Axenov, Kirill V; Laschat, Sabine

    2011-01-14

    The last five years' achievements in the synthesis and investigation of thermotropic ionic liquid crystals are reviewed. The present review describes the mesomorphic properties displayed by organic, as well as metal-containing ionic mesogens. In addition, a short overview on the ionic polymer and self-assembled liquid crystals is given. Potential and actual applications of ionic mesogens are also discussed.

  3. Thermotropic Ionic Liquid Crystals

    OpenAIRE

    Axenov, Kirill V.; Laschat, Sabine

    2011-01-01

    The last five years’ achievements in the synthesis and investigation of thermotropic ionic liquid crystals are reviewed. The present review describes the mesomorphic properties displayed by organic, as well as metal-containing ionic mesogens. In addition, a short overview on the ionic polymer and self-assembled liquid crystals is given. Potential and actual applications of ionic mesogens are also discussed.

  4. Thermotropic Ionic Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Sabine Laschat

    2011-01-01

    Full Text Available The last five years’ achievements in the synthesis and investigation of thermotropic ionic liquid crystals are reviewed. The present review describes the mesomorphic properties displayed by organic, as well as metal-containing ionic mesogens. In addition, a short overview on the ionic polymer and self-assembled liquid crystals is given. Potential and actual applications of ionic mesogens are also discussed.

  5. Crystal structure and magnetic state of pseudo-binary intermetallic compounds Ho(Cosub(1-x)Nisub(x))sub(5)

    International Nuclear Information System (INIS)

    Chuev, V.V.; Kelarev, V.V.; Pirogov, A.N.; Sidorov, S.K.; Koryakova, V.S.

    1983-01-01

    In the range of 1.8-1000 K intermetallic compounds Ho(Cosub(1-x)Nisub(x))sub(5) have been investigated neutronographically and roentgenographically. Crystal structure of two series of samples: HoCosub(5.5-5.5x)Nisub(5x) and HoCosub(5-5x)Nisub(5x) is studied. It is shown that Ni atoms mainly occupy positions 2c, Co atoms - positions 3g; coordinates of atoms and position occupation of TbCu 7 type structure are specified. Analysis of magnetic structure is made, angles of magnetic momenta orientation as to crystallographic axes are determined. Magnetic phase diagram is built. Concentrational dependences of sublattice magnetization: Msub(Ho)(x), Mdsub(2c)(x), Mdsub(3g)(x) are determined

  6. Positrons in ionic crystals

    International Nuclear Information System (INIS)

    Pareja, R.

    1988-01-01

    Positron annihilation experiments in ionic crystals are reviewed and their results are arranged. A discussion about the positron states in these materials is made in the light of these results and the different proposed models. The positronium in alkali halides is specially considered. (Author)

  7. Lattice dynamics of ionic crystals

    International Nuclear Information System (INIS)

    Mahan, G.D.

    1990-01-01

    The theory of lattice dynamics for ionic and rare-gas crystals is derived in the harmonic approximation. We start from a Hamiltonian and average over electron coordinates in order to obtain an effective interaction between ion displacements. We assume that electronic excitations are localized on a single ion, which limits the theory to ionic crystals. The deformation-dipole model and the indirect-ionic-interaction model are derived. These two contributions are closely linked, and together provide an accurate description of short-range forces

  8. Ionic Liquid Crystals: Versatile Materials.

    Science.gov (United States)

    Goossens, Karel; Lava, Kathleen; Bielawski, Christopher W; Binnemans, Koen

    2016-04-27

    This Review covers the recent developments (2005-2015) in the design, synthesis, characterization, and application of thermotropic ionic liquid crystals. It was designed to give a comprehensive overview of the "state-of-the-art" in the field. The discussion is focused on low molar mass and dendrimeric thermotropic ionic mesogens, as well as selected metal-containing compounds (metallomesogens), but some references to polymeric and/or lyotropic ionic liquid crystals and particularly to ionic liquids will also be provided. Although zwitterionic and mesoionic mesogens are also treated to some extent, emphasis will be directed toward liquid-crystalline materials consisting of organic cations and organic/inorganic anions that are not covalently bound but interact via electrostatic and other noncovalent interactions.

  9. Local fields in ionic crystals

    International Nuclear Information System (INIS)

    Claro, F.

    1981-08-01

    Local fields arising from the electronic distortion in perfect ionic crystals are described in terms of multipolar excitations. Field factors for the alkali halides and chalcogenide ions are found to differ significantly from the Lorentz value of 4π/3, the correction size following an exponential dependence on the difference in ionic radii. Local fields are only slightly modified by these corrections however, and together with the Clausius-Mossotti relation may be regarded as accurate to within 2% if the Lorentz value is adopted. (author)

  10. An application of Pettifor structure maps for the identification of pseudo-binary quasicrystalline intermetallics

    International Nuclear Information System (INIS)

    Ranganathan, S.; Inoue, A.

    2006-01-01

    Quasicrystal-forming ability is considered from the viewpoint of Pettifor maps, where a single phenomenological coordinate, the Mendeleev number, captures the bonding characteristics of elements in forming intermetallics. By considering the largest sized atom as the most important constituent, it is shown that most known ternary and quaternary quasicrystals can be treated as pseudo-binary intermetallics. This also results in a classification of quasicrystals into four structural classes based on the nature of the bond orbital - s, p, d or f - of the large atom with four associated related crystal structures. A colour scheme is introduced to indicate preferences for two types of sites. We propose a new classification of quasicrystals as centred on Li, Mg, Al, Ga, Ca, Sc, Y, Ti, Zr, Hf and rare earth elements, as they are the largest atoms in the constituent quasicrystals in contrast to the conventional classification based on majority species

  11. An application of Pettifor structure maps for the identification of pseudo-binary quasicrystalline intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Ranganathan, S. [Department of Metallurgy, Indian Institute of Science, CV Raman Avenue, Bangalore 560012, Karnataka (India) and Institute for Materials Research, Tohoku University, Sendai 9808577 (Japan)]. E-mail: rangu@met.iisc.ernet.in; Inoue, A. [Institute for Materials Research, Tohoku University, Sendai 9808577 (Japan)

    2006-08-15

    Quasicrystal-forming ability is considered from the viewpoint of Pettifor maps, where a single phenomenological coordinate, the Mendeleev number, captures the bonding characteristics of elements in forming intermetallics. By considering the largest sized atom as the most important constituent, it is shown that most known ternary and quaternary quasicrystals can be treated as pseudo-binary intermetallics. This also results in a classification of quasicrystals into four structural classes based on the nature of the bond orbital - s, p, d or f - of the large atom with four associated related crystal structures. A colour scheme is introduced to indicate preferences for two types of sites. We propose a new classification of quasicrystals as centred on Li, Mg, Al, Ga, Ca, Sc, Y, Ti, Zr, Hf and rare earth elements, as they are the largest atoms in the constituent quasicrystals in contrast to the conventional classification based on majority species.

  12. Key Developments in Ionic Liquid Crystals

    OpenAIRE

    Fernandez, A.A.; Kouwer, P.H.J.

    2016-01-01

    Ionic liquid crystals are materials that combine the classes of liquid crystals and ionic liquids. The first one is based on the multi-billion-dollar flat panel display industry, whilst the latter quickly developed in the past decades into a family of highly-tunable non-volatile solvents. The combination yields materials with a unique set of properties, but also with many challenges ahead. In this review, we provide an overview of the key concepts in ionic liquid crystals, particularly from a...

  13. Key Developments in Ionic Liquid Crystals.

    Science.gov (United States)

    Alvarez Fernandez, Alexandra; Kouwer, Paul H J

    2016-05-16

    Ionic liquid crystals are materials that combine the classes of liquid crystals and ionic liquids. The first one is based on the multi-billion-dollar flat panel display industry, whilst the latter quickly developed in the past decades into a family of highly-tunable non-volatile solvents. The combination yields materials with a unique set of properties, but also with many challenges ahead. In this review, we provide an overview of the key concepts in ionic liquid crystals, particularly from a molecular perspective. What are the important molecular parameters that determine the phase behavior? How should they be introduced into the molecules? Finally, which other tools does one have to realize specific properties in the material?

  14. Key Developments in Ionic Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Alexandra Alvarez Fernandez

    2016-05-01

    Full Text Available Ionic liquid crystals are materials that combine the classes of liquid crystals and ionic liquids. The first one is based on the multi-billion-dollar flat panel display industry, whilst the latter quickly developed in the past decades into a family of highly-tunable non-volatile solvents. The combination yields materials with a unique set of properties, but also with many challenges ahead. In this review, we provide an overview of the key concepts in ionic liquid crystals, particularly from a molecular perspective. What are the important molecular parameters that determine the phase behavior? How should they be introduced into the molecules? Finally, which other tools does one have to realize specific properties in the material?

  15. Lattice mechanics of ionic crystals - unified study

    International Nuclear Information System (INIS)

    Sengupta, S.; Roy, D.; Basu, A.N.

    1979-01-01

    The up-to-date situation in the understanding of the mechanical properties of ionic solids is reviewed. These properties are determined by the Born-Oppenheimer (B-O) potential energy function. For ionic crystals this potential energy function can be written down with some precision. To keep the expression tractable, the dominant electron deformation, the dipolar deformation, is treated as an adiabatic variable and the energy then becomes a function of both the nuclear coordinates and the ionic dipole moments. All the well known models for ionic crystals are discussed in terms of the energy expression they imply. This makes the comparison straight forward and brings out the essential difference between the models clearly. Next various quantum mechanical treatments for ionic crystals are reviewed. An attempt is made to obtain the B-O potential energy expression using a Heitler-London approach. By comparing the various models one can arrive at some definitive conclusions about the degree of validity and the assumptions underlying these models. Finally a comprehensive review of the results of actual computation on various ionic crystals done by different authors is undertaken. The crucial quantitative results are examined and the success and shortcoming of each calculation are critically analysed. The guiding principle in this part is the unified approach. i.e. to see how far a model with a given set of parameters accounts for both the dynamic and static properties. The discussion is divided in three sections for crystals with sodium chloride, cesium chloride and zinc sulfide structures. Outstanding problems and difficulties in the present understanding are pointed out. (auth.)

  16. Theoretical analysis of static properties of mixed ionic crystal ...

    Indian Academy of Sciences (India)

    In the present paper, we have investigated the static properties of the mixed ionic crystal NH4Cl1−Br using three-body potential model (TBPM) by the application of Vegard's law. The results for the mixed crystal counterparts are also in fair agreement with the pseudo-experimental data generated from the application of ...

  17. Study of the refractive index of gasoline+alcohol pseudo-binary mixtures

    Directory of Open Access Journals (Sweden)

    Nita Irina

    2017-02-01

    Full Text Available The properties of gasoline change as a result of blending with a bioalcohol, affecting the behavior of the pseudo-binary system. The aim of this paper is to present experimental data of the refractive index for pseudobinary mixtures of a reformate gasoline with ethanol, isopropanol and n-butanol over the entire composition range and for temperature ranging from 293.15 K to 313.15 K. The accuracy of different equations to predict the refractive index of the mixtures was tested. The best prediction accuracy (the lower AAD corresponded to Eykman and Lorentz-Lorenz mixing rules. A logarithmic equation proposed to correlate the refractive index with composition and temperature of gasoline+alcohol mixtures showed a good accuracy (the absolute average deviation AAD < 0.052%. The deviations in refractive index for investigated systems are negative over the entire composition range and at all investigated temperatures.

  18. Alkyltributylphosphonium chloride ionic liquids: synthesis, physicochemical properties and crystal structure.

    Science.gov (United States)

    Adamová, Gabriela; Gardas, Ramesh L; Nieuwenhuyzen, Mark; Puga, Alberto V; Rebelo, Luís Paulo N; Robertson, Allan J; Seddon, Kenneth R

    2012-07-21

    A series of alkyltributylphosphonium chloride ionic liquids, prepared from tributylphosphine and the respective 1-chloroalkane, C(n)H(2n+1)Cl (where n = 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 12 or 14), is reported. This work is a continuation of an extended series of tetraalkylphosphonium ionic liquids, where the focus is on the variability of n and its impact on the physical properties, such as melting points/glass transitions, thermal stability, density and viscosity. Experimental density and viscosity data were interpreted using QPSR and group contribution methods and the crystal structure of propyl(tributyl)phosphonium chloride is detailed.

  19. 'Ionic crystals' consisting of trinuclear macrocations and ...

    Indian Academy of Sciences (India)

    T Arumuganathan

    )(ClCH2COO)6(H2O)3]4. [SiW12O40] ... solid state properties to obtain new materials in appli- ... Reflections Collected/unique ... covalent bonds in the relevant crystal lattice having ...... the relevant parameters are given in Tables 5 and 6,.

  20. New Pyrazolium Salts as a Support for Ionic Liquid Crystals and Ionic Conductors.

    Science.gov (United States)

    Pastor, María Jesús; Sánchez, Ignacio; Campo, José A; Schmidt, Rainer; Cano, Mercedes

    2018-04-03

    Ionic liquid crystals (ILCs) are a class of materials that combine the properties of liquid crystals (LCs) and ionic liquids (ILs). This type of materials is directed towards properties such as conductivity in ordered systems at different temperatures. In this work, we synthesize five new families of ILCs containing symmetrical and unsymmetrical substituted pyrazolium cations, with different alkyl long-chains, and anions such as Cl - , BF₄ - , ReO₄ - , p -CH₃-₆H₄SO₃ - (PTS) and CF₃SO₃ - (OTf). We study their thermal behavior by polarized light optical microscopy (POM) and differential scanning calorimetry (DSC). All of them, except those with OTf as counteranion, show thermotropic mesomorphism. The observations by POM reveal textures of lamellar mesophases. Those agree with the arrangement observed in the X-ray crystal structure of [H₂pz R(4),R(4) ][ReO₄]. The nature of the mesophases is also confirmed by variable temperature powder X-ray diffraction. On the other hand, the study of the dielectric properties at variable temperature in mesomorphic (Cl - and BF₄ - ) and non-mesomorphic (OTf) salts indicates that the supramolecular arrangement of the mesophase favors a greater ionic mobility and therefore ionic conductivity.

  1. Growth and characterization of GaAs-GaSb III-V pseudo-binary nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Schamp, C.T. [Cerium Laboratories, Austin, TX 78741 (United States); Jesser, W.A. [Department of Materials Science and Engineering, 116 Engineer' s Way, University of Virginia, Charlottesville, VA 22904 (United States)

    2008-07-01

    The GaAs-GaSb pseudo-binary materials system presents an interesting challenge for growth because of 1) the existence of a miscibility gap in the solid-solid portion of the equilibrium phase diagram, and 2) the large differences in vapor pressure between the column III element, Ga, and the column V elements, As and Sb. To overcome these challenges in the growth of GaAs, GaSb, and Ga{sub 50}As{sub x}Sb{sub 50-x} alloy nanoparticles, single- and dual-target pulsed laser deposition (PLD) techniques were implemented using an Nd:YAG laser operated with a harmonic generator to utilize the second harmonic wavelength (532 nm) and a combination of the fundamental and the second harmonic wavelengths (1064 nm+532 nm). The nanoparticles were collected on amorphous carbon films for subsequent characterization by transmission electron microscopy. The analysis shows that single phase GaAs-rich Ga{sub 50}As{sub x}Sb{sub 50-x} (28>x>50) nanoparticles and nanocrystalline films have been formed through dual-target, single-wavelength (532 nm) pulsed laser ablation. Interestingly, through the ablation of the single component targets, two-phase particles were also found to form. These two phase particles resemble ''nano-ice cream cones'' with solid cones of either GaAs or GaSb with a spherical ''ice cream'' ball of Ga located at the wide portion of the cone, which is either an amorphous phase or liquid phase. Through an analysis by STEM-EDX spectroscopy, these particles are found to be consistant with this model. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Bond ionicity in crystals of transition metal compounds

    International Nuclear Information System (INIS)

    Kesler, Ya.A.

    1989-01-01

    A unified method of calculating bond ionicity in inorganic crystals is suggested. The approach presented envisages the sealing of d-electron contribution to ξ,p-electron contribution for the retention of community which can only be implemented by a self-consistent procedure. The results of self-consistent calculations of bond parameters of a number of crystals (ScN, Sc 2 O 3 , In 2 O 3 , J 2 O 3 ) as compared with the data for ξ,p-analogues are given. Ionicity changes in the series of analogous compounds utterly correspond to existing chemical concepts. The data for oxides of 4d-, 5d-elements (ZrO 2 , CeO 2 , ThO 2 ) and for a number of ternary compounds containing two types of bonds (LiNbO 3 , CdSc 2 S 4 , CdCr 2 Se 4 etc) are also given. In the case of transition elements ionicity to a great extent depends on the symmetry of anion environment and correlates to orbital population well. Ionicity values are in direct proportion to effective charges of atoms of transition elements

  3. Crystal Structure and Properties of Imidazo-Pyridine Ionic Liquids.

    Science.gov (United States)

    Farren-Dai, Marco; Cameron, Stanley; Johnson, Michel B; Ghandi, Khashayar

    2018-07-05

    Computational studies were performed on novel protic ionic liquids imidazolium-[1,2-a]-pyridine trifluoroacetate [ImPr][TFA] synthesized by the reaction of imidazo-[1,2a]-pyridine (ImPr) with trifluoroacetic acid (TFA), and on fused salt imidazolium-[1,2-a]-pyridine maleamic carbonate [ImPr][Mal] synthesized by reaction of ImPr with maleamic acid (Mal). Synthesis was performed as one-pot reactions, which applies green chemistry tenets. Both these compounds begin to decompose at 180°C. Our computational studies suggest another thermal reaction channel, in which [ImPr][Mal] can also thermally polymerizes to polyacrylamide which then cyclizes. This is thermal product remains stable up to 700 degrees, consistent with our thermogravimetric studies. [ImPr][TFA] exhibited good conductivity and ideal ionic behavior, as evaluated by a Walden plot. X-ray crystallography of [ImPr][TFA] revealed a tightly packed system for the crystals as a result of strong ionic interaction, pi-stacking, and fluorine-CH interactions. Both synthesized compounds exhibited some CO 2 absorptivity, with [ImPr][Mal] outperforming [ImPr][TFA] in this regard. The quantum chemistry based computational methods can shed light on many properties of these ionic liquids, but they are challenged in fully describing their ionic nature. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  4. Toward protic ionic liquid and organic ionic plastic crystal electrolytes for fuel cells

    International Nuclear Information System (INIS)

    Rana, Usman Ali; Forsyth, Maria; MacFarlane, Douglas R.; Pringle, Jennifer M.

    2012-01-01

    Highlights: ► Polymer electrolyte membrane fuel cells that can operate above 120 °C, without humidification, would be much more commercially viable. ► Protic ionic liquids and organic ionic plastic crystals are showing increasing promise as anhydrous proton conductors in fuel cells. ► Here we review the recent progress in these two areas. - Abstract: There is increasing demand for the development of anhydrous proton conducting electrolytes, most notably to allow the development of fuel cells that can operate at temperatures above 120 °C, without the need for constant and controlled humidification. The emerging field of protic ionic liquids (PILs) represents a promising new direction for this research and the development of these materials has made significant progress in recent years. In a related but as yet little-explored avenue, proton conducting organic ionic plastic crystals offer the potential advantage of providing a solid state matrix for anhydrous proton conductivity. Here we discuss the recent progress in these areas and identify the key challenges for future research.

  5. Absolute spectroscopy of activated ionic crystals

    International Nuclear Information System (INIS)

    Kuketaev, T.A.

    1999-01-01

    Researches on potassium chlorides activated by one-valency ions of copper and silver are carried out. It was shown, that electron recombination photoluminescence is brought about by photoexcitation. It was established, that impurities excitation de-locates in the result of ionization. The particular mechanism of activator's ions ionization is defining by temperature dependence of recombination luminescence. In case of autoionization the luminescence yield does not depends from temperature. During excitation of KCl-Cu, NaCl-Ag, KCl-Ag crystals by photons with energies of 6.1, 5.9 and 6.3 eV, relatively, the recombination luminescence light sum increase. That is explained as direct manifestation of thermal ionization of these excitations, which freeze under lowered irradiation temperature. Experimental data evident that excited centers ionization takes place after equilibrium distribution of centers setting by oscillation levels of this electron state. Therefore energy of thermal ionization of exited center corresponds to energy gap of excited impurity center relaxation equation with bottom of conductivity zone. After definition of relaxation excited electron state of impurity ions relatively conductivity bottom zone a possibility for evaluation of activator's levels position with precision to ground state energy relaxation opens. For potassium chlorides activated by copper and silver ions the assessment shows that ground levels of impurity ions are situating within zone of forbidden energies on 2-2.6 eV higher than ceiling of valency zone

  6. A roadmap to uranium ionic liquids: Anti-crystal engineering

    International Nuclear Information System (INIS)

    Yaprak, Damla; Spielberg, Eike T.; Baecker, Tobias; Richter, Mark; Mallick, Bert; Klein, Axel; Mudring, Anja-Verena

    2014-01-01

    In the search for uranium-based ionic liquids, tris(N,N-dialkyldithiocarbamato)uranylates have been synthesized as salts of the 1-butyl-3-methylimidazolium (C_4mim) cation. As dithiocarbamate ligands binding to the UO_2"2"+ unit, tetra-, penta-, hexa-, and heptamethylenedithiocarbamates, N,N-diethyldithiocarbamate, N-methyl-N-propyldithiocarbamate, N-ethyl-N-propyldithiocarbamate, and N-methyl-N-butyldithiocarbamate have been explored. X-ray single-crystal diffraction allowed unambiguous structural characterization of all compounds except N-methyl-N-butyldithiocarbamate, which is obtained as a glassy material only. In addition, powder X-ray diffraction as well as vibrational and UV/Vis spectroscopy, supported by computational methods, were used to characterize the products. Differential scanning calorimetry was employed to investigate the phase-transition behavior depending on the N,N-dialkyldithiocarbamato ligand with the aim to establish structure-property relationships regarding the ionic liquid formation capability. Compounds with the least symmetric N,N-dialkyldithiocarbamato ligand and hence the least symmetric anions, tris(N-methyl-N-propyldithiocarbamato)uranylate, tris(N-ethyl-N-propyldithiocarbamato)uranylate, and tris(N-methyl-N-butyldithiocarbamato)uranylate, lead to the formation of (room-temperature) ionic liquids, which confirms that low-symmetry ions are indeed suitable to suppress crystallization. These materials combine low melting points, stable complex formation, and hydrophobicity and are therefore excellent candidates for nuclear fuel purification and recovery. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. A roadmap to uranium ionic liquids: anti-crystal engineering.

    Science.gov (United States)

    Yaprak, Damla; Spielberg, Eike T; Bäcker, Tobias; Richter, Mark; Mallick, Bert; Klein, Axel; Mudring, Anja-Verena

    2014-05-19

    In the search for uranium-based ionic liquids, tris(N,N-dialkyldithiocarbamato)uranylates have been synthesized as salts of the 1-butyl-3-methylimidazolium (C4mim) cation. As dithiocarbamate ligands binding to the UO2(2+) unit, tetra-, penta-, hexa-, and heptamethylenedithiocarbamates, N,N-diethyldithiocarbamate, N-methyl-N-propyldithiocarbamate, N-ethyl-N-propyldithiocarbamate, and N-methyl-N-butyldithiocarbamate have been explored. X-ray single-crystal diffraction allowed unambiguous structural characterization of all compounds except N-methyl-N-butyldithiocarbamate, which is obtained as a glassy material only. In addition, powder X-ray diffraction as well as vibrational and UV/Vis spectroscopy, supported by computational methods, were used to characterize the products. Differential scanning calorimetry was employed to investigate the phase-transition behavior depending on the N,N-dialkyldithiocarbamato ligand with the aim to establish structure-property relationships regarding the ionic liquid formation capability. Compounds with the least symmetric N,N-dialkyldithiocarbamato ligand and hence the least symmetric anions, tris(N-methyl-N-propyldithiocarbamato)uranylate, tris(N-ethyl-N-propyldithiocarbamato)uranylate, and tris(N-methyl-N-butyldithiocarbamato)uranylate, lead to the formation of (room-temperature) ionic liquids, which confirms that low-symmetry ions are indeed suitable to suppress crystallization. These materials combine low melting points, stable complex formation, and hydrophobicity and are therefore excellent candidates for nuclear fuel purification and recovery. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Predicting yield-stress anomalies in L12 alloys: Ni3Ge-Fe3Ge pseudo-binaries

    International Nuclear Information System (INIS)

    Liu, J.B.; Johnson, D.D.; Smirnov, A.V.

    2005-01-01

    The L1 2 -based pseudo-binary (Ni 1-c Fe c ) 3 Ge is an ideal system to study yield-strength anomaly and its origin as it has a solid-solution phase vs. c and Ni 3 Ge exhibits an anomaly while Fe 3 Ge does not. Using two ab initio electronic-structure techniques, we calculate the planar-fault energies on the γ-surface, i.e., antiphase boundaries (APB) and stacking faults, both complex and superlattice intrinsic (SISF), for (Ni 1-c Fe c ) 3 Ge as a function of c. Generally, we use the fault energies combined with elasticity theory to predict occurrence/loss of the yield-strength anomaly and show that the loss of anomaly occurs due to APB(1 1 1)-to-SISF(1 1 1) instability. Assessing the stability of APB(1 1 1) on the γ-surface within linear elasticity theory, we predict the transition from anomalous to normal temperature dependence of yield strength for c ∼≥ 0.35 (or 26 at.% Fe), as is observed, after which type-II, rather than type-I, dissociation is energetically favorable. Hence, first-principles calculations can predict reliably the existence/loss of anomalous yield-strength. Finally, we show that (0 0 1) and (1 1 1) APB energies of the binaries and pseudo-binaries agree quantitatively with measured values when chemical antisite disorder, intrinsic to the samples characterized, is included, whereas they are too large by a factor of two in perfect L1 2 . We investigate three types of disorder: thermal and off-stoichiometric antisites, as well as chemical disorder vs. Fe-content in pseudo-binaries

  9. Improving lithium therapeutics by crystal engineering of novel ionic cocrystals.

    Science.gov (United States)

    Smith, Adam J; Kim, Seol-Hee; Duggirala, Naga K; Jin, Jingji; Wojtas, Lukasz; Ehrhart, Jared; Giunta, Brian; Tan, Jun; Zaworotko, Michael J; Shytle, R Douglas

    2013-12-02

    Current United States Food and Drug Administration (FDA)-approved lithium salts are plagued with a narrow therapeutic window. Recent attempts to find alternative drugs have identified new chemical entities, but lithium's polypharmacological mechanisms for treating neuropsychiatric disorders are highly debated and are not yet matched. Thus, re-engineering current lithium solid forms in order to optimize performance represents a low cost and low risk approach to the desired therapeutic outcome. In this contribution, we employed a crystal engineering strategy to synthesize the first ionic cocrystals (ICCs) of lithium salts with organic anions. We are unaware of any previous studies that have assessed the biological efficacy of any ICCs, and encouragingly we found that the new speciation did not negatively affect established bioactivities of lithium. We also observed that lithium ICCs exhibit modulated pharmacokinetics compared to lithium carbonate. Indeed, the studies detailed herein represent an important advancement in a crystal engineering approach to a new generation of lithium therapeutics.

  10. Calculation of the band gap energy of ionic crystals

    International Nuclear Information System (INIS)

    Aguado, A.; Lopez, J.M.; Alonso, J.A.; Ayuela, A.; Rivas S, J.F.; Berrondo, M.

    1998-01-01

    The band gap of alkali halides, alkaline-earth oxides, Al 2 O 3 and SiO 2 crystals has been calculated using the perturbed-ion model supplemented with some assumptions for the treatment of excited states. The gap is calculated in several ways: as a difference between one-electron energy eigenvalues and as a difference between the total energies of appropriate electronic states of the crystal, both at the HF level and with inclusion of Coulomb correlation effects. The results compare well with experimental band gap energies and with other theoretical calculations, suggesting that the picture of bonding and excitation given by the model can be useful in ionic materials. (Author)

  11. A roadmap to uranium ionic liquids: Anti-crystal engineering

    Energy Technology Data Exchange (ETDEWEB)

    Yaprak, Damla; Spielberg, Eike T.; Baecker, Tobias; Richter, Mark; Mallick, Bert [Inorganic Chemistry III, Ruhr-University Bochum (Germany); Klein, Axel [Institut fuer Anorganische Chemie, Koeln Univ. (Germany); Mudring, Anja-Verena [Inorganic Chemistry III, Ruhr-University Bochum (Germany); Materials Science and Engineering, Iowa State University and Critical Materials Institute, Ames Laboratory, Ames, IA (United States)

    2014-05-19

    In the search for uranium-based ionic liquids, tris(N,N-dialkyldithiocarbamato)uranylates have been synthesized as salts of the 1-butyl-3-methylimidazolium (C{sub 4}mim) cation. As dithiocarbamate ligands binding to the UO{sub 2}{sup 2+} unit, tetra-, penta-, hexa-, and heptamethylenedithiocarbamates, N,N-diethyldithiocarbamate, N-methyl-N-propyldithiocarbamate, N-ethyl-N-propyldithiocarbamate, and N-methyl-N-butyldithiocarbamate have been explored. X-ray single-crystal diffraction allowed unambiguous structural characterization of all compounds except N-methyl-N-butyldithiocarbamate, which is obtained as a glassy material only. In addition, powder X-ray diffraction as well as vibrational and UV/Vis spectroscopy, supported by computational methods, were used to characterize the products. Differential scanning calorimetry was employed to investigate the phase-transition behavior depending on the N,N-dialkyldithiocarbamato ligand with the aim to establish structure-property relationships regarding the ionic liquid formation capability. Compounds with the least symmetric N,N-dialkyldithiocarbamato ligand and hence the least symmetric anions, tris(N-methyl-N-propyldithiocarbamato)uranylate, tris(N-ethyl-N-propyldithiocarbamato)uranylate, and tris(N-methyl-N-butyldithiocarbamato)uranylate, lead to the formation of (room-temperature) ionic liquids, which confirms that low-symmetry ions are indeed suitable to suppress crystallization. These materials combine low melting points, stable complex formation, and hydrophobicity and are therefore excellent candidates for nuclear fuel purification and recovery. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Crystallization of an organic compound from an ionic liquid using carbon dioxide as anti-solvent

    NARCIS (Netherlands)

    Kroon, M.C.; Toussaint, V.A.; Shariati - Sarabi, A.; Florusse, L.J.; Spronsen, van J.; Witkamp, G.J.; Peters, C.J.

    2008-01-01

    In this paper the anti-solvency behavior of supercritical carbon dioxide (CO2) as a way to recover an organic compound from an ionic liquid by crystallization is explored. As an example, the conditions for crystallization of the organic compound methyl-(Z)-a-acetamido cinnamate (MAAC) from the ionic

  13. Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations.

    Science.gov (United States)

    Quevillon, Michael J; Whitmer, Jonathan K

    2018-01-02

    Ionic liquid crystals occupy an intriguing middle ground between room-temperature ionic liquids and mesostructured liquid crystals. Here, we examine a non-polarizable, fully atomistic model of the 1-alkyl-3-methylimidazolium nitrate family using molecular dynamics in the constant pressure-constant temperature ensemble. These materials exhibit a distinct "smectic" liquid phase, characterized by layers formed by the molecules, which separate the ionic and aliphatic moieties. In particular, we discuss the implications this layering may have for electrolyte applications.

  14. Magneto-caloric effect in the pseudo-binary intermetallic YPrFe{sub 17} compound

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, Pablo [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Gorria, Pedro, E-mail: pgorria@uniovi.es [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Sanchez Llamazares, Jose L. [Division de Materiales Avanzados, Instituto Potosino de Investigacion Cientifica y Tecnologica, Camino a la presa San Jose 2055, CP 78216, San Luis Potosi (Mexico); Perez, Maria J. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Franco, Victorino [Departamento de Fisica de la Materia Condensada, ICMSE-CSIC, Universidad de Sevilla, P.O. Box 1065, 41080 Sevilla (Spain); Reiffers, Marian; Kovac, Jozef [Institute of Experimental Physics, Watsonova 47, SK-04001 Kosice (Slovakia); Puente-Orench, Ines [Institute Laue Langevin, 6 rue Jules Horowitz, 38042 Grenoble (France); Blanco, Jesus A. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer YPrFe{sub 17} exhibits a broad {Delta}S{sub M}(T) associated with the ferro-to-paramagnetic phase transition (T{sub C} Almost-Equal-To 290 K). Black-Right-Pointing-Pointer We obtain |{Delta}S{sub M}| Almost-Equal-To 2.3 J kg{sup -1} K{sup -1} and RCP Almost-Equal-To 100 J kg{sup -1}for a magnetic field change of 1.5 T. Black-Right-Pointing-Pointer A single master curve for {Delta}S{sub M} is found when compared with other isostructural R{sub 2}Fe{sub 17} binary alloys. - Abstract: We have synthesized the intermetallic YPrFe{sub 17} compound by arc-melting. X-ray and neutron powder diffraction show that the crystal structure is rhombohedral with R3{sup Macron }m space group (Th{sub 2}Zn{sub 17}-type). The investigated compound exhibits a broad isothermal magnetic entropy change {Delta}S{sub M}(T) associated with the ferro-to-paramagnetic phase transition (T{sub C} Almost-Equal-To 290 K). The |{Delta}S{sub M}| ( Almost-Equal-To 2.3 J kg{sup -1} K{sup -1}) and the relative cooling power ( Almost-Equal-To 100 J kg{sup -1}) have been calculated for applied magnetic field changes up to 1.5 T. A single master curve for {Delta}S{sub M} under different values of the magnetic field change can be obtained by a rescaling of the temperature axis. The results are compared and discussed in terms of the magneto-caloric effect in the isostructural R{sub 2}Fe{sub 17} (R = Y, Pr and Nd) binary intermetallic alloys.

  15. Large Electro-Optic Kerr-Effect in Ionic Liquid Crystals: Connecting Features of Liquid Crystals and Polyelectrolytes.

    Science.gov (United States)

    Schlick, Michael Christian; Kapernaum, Nadia; Neidhardt, Manuel; Wöhrle, Tobias; Stöckl, Yannick; Laschat, Sabine; Gießelmann, Frank

    2018-06-06

    The electro-optic Kerr effect in the isotropic phase of two ionic liquid crystals (ILCs) is investigated and compared to the Kerr effect in non-ionic liquid crystals (LCs) with same phase sequences, namely direct isotropic to hexagonal columnar transitions and direct isotropic to smectic-A transitions. Up to electric field amplitudes of some 106 V m-1, the optical birefringence induced in the isotropic phases follows Kerr's law and strongly increases when the temperature approaches the transition temperature into the particular liquid crystalline phase. Close to the transition, maximum Kerr constants in the order of 10-11 m V-2 are found, which are more than ten times higher than the Kerr constant of nitrobenzene, a strongly dipolar fluid with a huge Kerr effect applied in optical shutters and phase modulators. In comparison to their non-ionic LC counterparts the Kerr effect in ILCs is found to be enhanced in magnitude, but slowed-down in speed, showing rise times in the order of ten milliseconds. These remarkable differences are attributed to the presence of counterion polarization well-known from complex ionic fluids such as polyelectrolytes or ionic micellar solutions. ILCs thus combine the Kerr effect features of liquid crystals and complex ionic fluids. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Density-viscosity product of small-volume ionic liquid samples using quartz crystal impedance analysis.

    Science.gov (United States)

    McHale, Glen; Hardacre, Chris; Ge, Rile; Doy, Nicola; Allen, Ray W K; MacInnes, Jordan M; Bown, Mark R; Newton, Michael I

    2008-08-01

    Quartz crystal impedance analysis has been developed as a technique to assess whether room-temperature ionic liquids are Newtonian fluids and as a small-volume method for determining the values of their viscosity-density product, rho eta. Changes in the impedance spectrum of a 5-MHz fundamental frequency quartz crystal induced by a water-miscible room-temperature ionic liquid, 1-butyl-3-methylimiclazolium trifluoromethylsulfonate ([C4mim][OTf]), were measured. From coupled frequency shift and bandwidth changes as the concentration was varied from 0 to 100% ionic liquid, it was determined that this liquid provided a Newtonian response. A second water-immiscible ionic liquid, 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide [C4mim][NTf2], with concentration varied using methanol, was tested and also found to provide a Newtonian response. In both cases, the values of the square root of the viscosity-density product deduced from the small-volume quartz crystal technique were consistent with those measured using a viscometer and density meter. The third harmonic of the crystal was found to provide the closest agreement between the two measurement methods; the pure ionic liquids had the largest difference of approximately 10%. In addition, 18 pure ionic liquids were tested, and for 11 of these, good-quality frequency shift and bandwidth data were obtained; these 12 all had a Newtonian response. The frequency shift of the third harmonic was found to vary linearly with square root of viscosity-density product of the pure ionic liquids up to a value of square root(rho eta) approximately 18 kg m(-2) s(-1/2), but with a slope 10% smaller than that predicted by the Kanazawa and Gordon equation. It is envisaged that the quartz crystal technique could be used in a high-throughput microfluidic system for characterizing ionic liquids.

  17. Crystal Structure-Ionic Conductivity Relationships in Doped Ceria Systems

    DEFF Research Database (Denmark)

    Omar, Shobit; Wachsman, Eric D.; Jones, Jacob L.

    2009-01-01

    lattice strain of 10 mol% trivalent cation-doped ceria systems at the same temperatures. A consistent set of ionic conductivity data is developed, where the samples are synthesized under similar experimental conditions. On comparing the grain ionic conductivity, Nd0.10Ce0.90O2−δ exhibits the highest ionic...... conductivity among other doped ceria systems. The grain ionic conductivity is around 17% higher than that of Gd0.10Ce0.90O2−δ at 500°C, in air. X-ray diffraction profiles are collected on the sintered powder of all the compositions, from room temperature to 600°C, in air. From the lattice expansion data...... at high temperatures, the minimal elastic strain due to the presence of dopant is observed in Dy0.10Ce0.90O2−δ. Nd0.10Ce0.90O2−δ exhibits larger elastic lattice strain than Dy0.10Ce0.90O2−δ with better ionic conductivity at intermediate temperatures. Therefore, it is shown that the previously proposed...

  18. Alkyltributylphosphonium chloride ionic liquids: synthesis, physicochemical properties and crystal structure

    OpenAIRE

    Adamova, Gabriela; Gardas, Ramesh L.; Nieuwenhuyzen, Mark; Vaca Puga, Alberto; Rebelo, Luis Paulo N.; Robertson, Allan J.; Seddon, Kenneth R.

    2012-01-01

    A series of alkyltributylphosphonium chloride ionic liquids, prepared from tributylphosphine and the respective 1-chloroalkane, CnH2n+1Cl (where n = 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 12 or 14), is reported. This work is a continuation of an extended series of tetraalkylphosphonium ionic liquids, where the focus is on the variability of n and its impact on the physical properties, such as melting points/glass transitions, thermal stability, density and viscosity. Experimental density and viscosit...

  19. Quantification of Ionic Diffusion in Lead Halide Perovskite Single Crystals

    KAUST Repository

    Peng, Wei

    2018-05-25

    Lead halide perovskites are mixed electronic/ionic semiconductors that have recently revolutionized the photovoltaics field. The physical characterization of the ionic conductivity has been rather elusive due to the highly intermixing of ionic and electronic current. In this work the synthesis of low defect density monocrystalline MAPbBr3 (MA=Methyl ammonium) solar cells free of hole transport layer (HTL) suppresses the effect of electronic current. Impedance spectroscopy reveals the characteristic signature of ionic diffusion (the Warburg element and transmission line equivalent circuit) and ion accumulation at the MAPbBr3/Au interface. Diffusion coefficients are calculated based on a good correlation between thickness of MAPbBr3 and characteristic diffusion transition frequency. In addition, reactive external interfaces are studied by comparison of polycrystalline MAPbBr3 devices prepared either with or without a HTL. The low frequency response in IS measurements is correlated with the chemical reactivity of moving ions with the external interfaces and diffusion into the HTL.

  20. Combining piracetam and lithium salts: ionic co-crystals and co-drugs?

    Science.gov (United States)

    Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Capucci, Davide; Nanna, Saverio; Wouters, Johan; Aerts, Luc; Quéré, Luc

    2012-08-25

    Mechanochemical reaction of solid piracetam with the inorganic salts LiCl and LiBr yields ionic co-crystals which are also co-drugs, characterized by markedly different thermal properties with respect to pure components, also depending on the method for preparation and/or conditions of measurements; single crystal and powder X-ray diffraction at variable temperatures, DSC, TGA, hot stage microscopy (HSM) and intrinsic dissolution rate have been used to fully characterize the solid products.

  1. A computer program for external modes in complex ionic crystals (the rigid molecular-ion model)

    International Nuclear Information System (INIS)

    Chaplot, S.L.

    1978-01-01

    A computer program DISPR has been developed to calculate the external mode phonon dispersion relation in the harmonic approximation for complex ionic crystals using the rigid molecular ion model. A description of the program, the flow diagram and the required input information are given. A sample calculation for α-KNO 3 is presented. The program can handle any type of crystal lattice with any number of atoms and molecules per unit cell with suitable changes in dimension statements. (M.G.B.)

  2. Electrotransport in ionic crystals: Pt. 1. Application of liquid electrolyte theory

    International Nuclear Information System (INIS)

    Janek, J.

    1994-01-01

    Transport of matter and charge in ionic crystals is only possible by the existence of irregular structure elements (defects) which are often charged relative to the crystal lattice. A comparison between the transport behaviour of a crystalline matrix containing such charged defects and a liquid electrolyte containing dissolved ions shows a lot of similarities. As is well known the transport properties of liquid electrolytes are strongly affected by interactions between the dissolved ions. We have applied the well elaborated concept of mixed electrolytes by Onsager and Fuoss which was originally devoted to liquid electrolytes to ionic crystals containing charged point defects. The equations of Onsager and Fuoss allow in principle the calculation of the concentration dependence of the phenomenological transport coefficients L ij of all charge carriers of n-component electrolytes. We will use these equations to predict the transport behaviour of ionic crystals containing differently charged point defects. As examples we have calculated transport coefficients for electrolyte systems which can be regarded as models for the transition metal oxides Co 1-δ O and Cu 2-δ O. One major result concerns the magnitude of the cross effect between the ionic and electronic fluxes in those materials. The implications of these results with respect to experimental observations are discussed. (orig.)

  3. Synthesis of guanidinium–sulfonimide ion pairs: towards novel ionic liquid crystals

    Directory of Open Access Journals (Sweden)

    Martin Butschies

    2013-06-01

    Full Text Available The recently introduced concept of ionic liquid crystals (ILCs with complementary ion pairs, consisting of both, mesogenic cation and anion, was extended from guanidinium sulfonates to guanidinium sulfonimides. In this preliminary study, the synthesis and mesomorphic properties of selected derivatives were described, which provide the first example of an ILC with the sulfonimide anion directly attached to the mesogenic unit.

  4. A model for the interaction between F centers and H atoms in ionic crystals

    International Nuclear Information System (INIS)

    Dumke, V.R.; Souza, M. de

    1975-01-01

    The interaction between an F center and neutral hydrogen atoms, the most simple paramagnetic defects in ionic crystals, is described in terms of a perturbation theory of two square potential wells. The good agreement with experimental data indicates that lattice distortion due to the presence of the hydrogen atoms is negligible [pt

  5. Precipitation of thin-film organic single crystals by a novel crystal growth method using electrospray and ionic liquid film

    Science.gov (United States)

    Ueda, Hiroyuki; Takeuchi, Keita; Kikuchi, Akihiko

    2018-04-01

    We report an organic single crystal growth technique, which uses a nonvolatile liquid thin film as a crystal growth field and supplies fine droplets containing solute from the surface of the liquid thin film uniformly and continuously by electrospray deposition. Here, we investigated the relationships between the solute concentration of the supplied solution and the morphology and size of precipitated crystals for four types of fluorescent organic low molecule material [tris(8-hydroxyquinoline)aluminum (Alq3), 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (PBD), N,N‧-bis(3-methylphenyl)-N,N‧-diphenylbenzidine (TPD), and N,N-bis(naphthalene-1-yl)-N,N-diphenyl-benzidine (NPB)] using an ionic liquid as the nonvolatile liquid. As the concentration of the supplied solution decreased, the morphology of precipitated crystals changed from dendritic or leaf shape to platelike one. At the solution concentration of 0.1 mg/ml, relatively large platelike single crystals with a diagonal length of over 100 µm were obtained for all types of material. In the experiment using ionic liquid and dioctyl sebacate as nonvolatile liquids, it was confirmed that there is a clear positive correlation between the maximum volume of the precipitated single crystal and the solubility of solute under the same solution supply conditions.

  6. How ionic species structure influences phase structure and transitions from protic ionic liquids to liquid crystals to crystals.

    Science.gov (United States)

    Greaves, Tamar L; Broomhall, Hayden; Weerawardena, Asoka; Osborne, Dale A; Canonge, Bastien A; Drummond, Calum J

    2017-12-14

    The phase behaviour of n-alkylammonium (C6 to C16) nitrates and formates has been characterised using synchrotron small angle and wide angle X-ray scattering (SAXS/WAXS), differential scanning calorimetry (DSC), cross polarised optical microscopy (CPOM) and Fourier transform infrared spectroscopy (FTIR). The protic salts may exist as crystalline, liquid crystalline or ionic liquid materials depending on the alkyl chain length and temperature. n-Alkylammonium nitrates with n ≥ 6 form thermotropic liquid crystalline (LC) lamellar phases, whereas n ≥ 8 was required for the formate series to form this LC phase. The protic ionic liquid phase showed an intermediate length scale nanostructure resulting from the segregation of the polar and nonpolar components of the ionic liquid. This segregation was enhanced for longer n-alkyl chains, with a corresponding increase in the correlation length scale. The crystalline and liquid crystalline phases were both lamellar. Phase transition temperatures, lamellar d-spacings, and liquid correlation lengths for the n-alkylammonium nitrates and formates were compared with those for n-alkylammonium chlorides and n-alkylamines. Plateau regions in the liquid crystalline to liquid phase transition temperatures as a function of n for the n-alkylammonium nitrates and formates are consistent with hydrogen-bonding and cation-anion interactions between the ionic species dominating alkyl chain-chain van der Waals interactions, with the exception of the mid chained hexyl- and heptylammonium formates. The d-spacings of the lamellar phases for both the n-alkylammonium nitrates and formates were consistent with an increase in chain-chain layer interdigitation within the bilayer-based lamellae with increasing alkyl chain length, and they were comparable to the n-alkylammonium chlorides.

  7. Crystal structure of dimethylformamidium bis(trifluoromethanesulfonylamide: an ionic liquid

    Directory of Open Access Journals (Sweden)

    Allan Jay P. Cardenas

    2016-09-01

    Full Text Available At 100 K, the title molecular salt, C3H8NO+·C2F6NO4S2−, has orthorhombic (P212121 symmetry; the amino H atom of bis(trifluoromethanesulfonylamine (HNTf2 was transferred to the basic O atom of dimethylformamide (DMF when the ionic liquid components were mixed. The structure displays an O—H...N hydrogen bond, which links the cation to the anion, which is reinforced by a non-conventional C—H...O interaction, generating an R22(7 loop. A further very weak C—H...O interaction generates an [001] chain.

  8. Ionic diffusion and salt dissociation conditions of lithium liquid crystal electrolytes.

    Science.gov (United States)

    Saito, Yuria; Hirai, Kenichi; Murata, Shuuhei; Kishii, Yutaka; Kii, Keisuke; Yoshio, Masafumi; Kato, Takashi

    2005-06-16

    Salt dissociation conditions and dynamic properties of ionic species in liquid crystal electrolytes of lithium were investigated by a combination of NMR spectra and diffusion coefficient estimations using the pulsed gradient spin-echo NMR techniques. Activation energies of diffusion (Ea) of ionic species changed with the phase transition of the electrolyte. That is, Ea of the nematic phase was lower than that of the isotropic phase. This indicates that the aligned liquid crystal molecules prepared efficient conduction pathways for migration of ionic species. The dissociation degree of the salt was lower compared with those of the conventional electrolyte solutions and polymer gel electrolytes. This is attributed to the low concentration of polar sites, which attract the dissolved salt and promote salt dissociation, on the liquid crystal molecules. Furthermore, motional restriction of the molecules due to high viscosity and molecular oriented configuration in the nematic phase caused inefficient attraction of the sites for the salt. With a decreased dissolved salt concentration of the liquid crystal electrolyte, salt dissociation proceeded, and two diffusion components attributed to the ion and ion pair were detected independently. This means that the exchange rate between the ion and the ion pair is fairly slow once the salt is dissociated in the liquid crystal electrolytes due to the low motility of the medium molecules that initiate salt dissociation.

  9. Energy localization and decay in highly ionic crystals

    International Nuclear Information System (INIS)

    Williams, R.T.; Thoma, E.D.; Bunton, P.H.

    1994-01-01

    Luminescence from localized states in pure wide-gap crystals is examined from the perspective of modern fast scintillator requirements. Recent advances in the understanding of self-trapped excitons are summarized with regard to excited-state configurations, spectra, and luminescence efficiency. As an example, the fast luminescence of partially quenched type I STEs (self-trapped excitons) in RbI offers tunable-lifetime subnanosecond pulses which could be useful for timing applications. The possible role of hole localization in cross luminescence is discussed. Stokes-shifted luminescence in some pure rare-earth fluoride crystals probably originates from self-trapped excitons of forms to be discussed

  10. Grotthuss Transport of Iodide in EMIM/I3 Ionic Crystal.

    Science.gov (United States)

    McDaniel, Jesse G; Yethiraj, Arun

    2018-01-11

    Highly ionic environments can mediate unusual chemical reactions that would otherwise be considered impossible based on chemical intuition. For example, the formation of a chemical bond between two iodide anions to form a divalent polyiodide anion is seemingly prohibited due to Coulombic repulsion. Using ab initio molecular dynamics simulations, we show that in the 1-ethyl-3-methylimidazolium (EMIM)/I 3 ionic crystal, the reactive formation of divalent and even trivalent polyiodide anions occurs with extremely small energetic barriers, due to the electrostatic field of the ionic lattice. A practical consequence of this anomalous reactivity is that iodide anions are efficiently transported within the crystal through a "Grotthuss-exchange" mechanism involving bond-breaking and forming events. We characterize two distinct transport pathways, involving both I 4 2- and I 7 3- intermediates, with fast transport of iodide resulting from the release of an I - anion on the opposite side of the intermediate species from the initial bond formation. The ordered cation arrangement in the crystal provides the necessary electrostatic screening for close approach of anions, suggesting a new counterintuitive approach to obtain high ionic conductivity. This new design principle could be used to develop better solid-state electrolytes for batteries, fuel cells, and supercapacitors.

  11. Conductive Hybrid Crystal Composed from Polyoxomolybdate and Deprotonatable Ionic-Liquid Surfactant

    Directory of Open Access Journals (Sweden)

    Jun Kobayashi

    2016-06-01

    Full Text Available A polyoxomolybdate inorganic-organic hybrid crystal was synthesized with deprotonatable ionic-liquid surfactant. 1-dodecylimidazolium cation was employed for its synthesis. The hybrid crystal contained δ-type octamolybdate (Mo8 isomer, and possessed alternate stacking of Mo8 monolayers and interdigitated surfactant bilayers. The crystal structure was compared with polyoxomolybdate hybrid crystals comprising 1-dodecyl-3-methylimidazolium surfactant, which preferred β-type Mo8 isomer. The less bulky hydrophilic moiety of the 1-dodecylimidazolium interacted with the δ-Mo8 anion by N–H···O hydrogen bonds, which presumably induced the formation of the δ-Mo8 anion. Anhydrous conductivity of the hybrid crystal was estimated to be 5.5 × 10−6 S·cm−1 at 443 K by alternating current (AC impedance spectroscopy.

  12. The mean free path of mobile dislocations in ionic crystals

    International Nuclear Information System (INIS)

    Alsem, W.H.M.

    1981-01-01

    In this thesis results are presented of investigations on dislocation motion in deforming NaCl single crystals using the technique of pulsed nuclear magnetic resonance. In particular, the spin-locking pulse sequence is used to measure Tsub(lrho), which is the spin-lattice relaxation time in the presence of a resonant rf magnetic field. Tsub(lrho) depends strongly on the mean free path L, which is covered by the dislocations during successive jumps between obstacles in their glide plane. (Auth.)

  13. Defect production at exciton decay in ionic crystals

    International Nuclear Information System (INIS)

    Lushchik, Ch.B.

    1984-01-01

    On the example of alkali halide crystals experimentally detected phenomenon of structural point defect production in wide-gap nonmetallic solids at low-temperature radiationless decay of self-localizing excitons and recombination of electrons with self-localized holes is considered. Factors promoting radiationless transformation of electron excitations to not small oscillations of many atoms (heat release), but to separate ion large shifts, that determine one of the most important mechanisms of radiation instability of solids, used, in particular, for data recording, are discussed

  14. Stimulated exoelectron emission dosimetry of organic compounds and of ionic crystals

    International Nuclear Information System (INIS)

    Rocca-Serra nee Chevtchenko, Nathalie

    1980-01-01

    The purpose of this work is the dosimetric study of stimulated exoelectron emission from various organic compounds (organic acid salts, amino acids) and ionic crystals (sodium chloride, magnesium oxide, calcium sulfate, lithium fluoride and α/β alumina). Experimental results obtained for α/β alumina leads us to determine physical properties of this material such as activation energies and frequency factors of traps involved in the exo-emission process. (author) [fr

  15. Identification of a new pseudo-binary hydroxide during calendar corrosion of (La, Mg)2Ni7-type hydrogen storage alloys for Nickel-Metal Hydride batteries

    Science.gov (United States)

    Monnier, J.; Chen, H.; Joiret, S.; Bourgon, J.; Latroche, M.

    2014-11-01

    To improve the performances of Nickel-Metal Hydride batteries, an important step is the understanding of the corrosion processes that take place in the electrode material. In particular, the present study focuses for the first time on the model (La, Mg)2Ni7 system. The calendar corrosion in 8.7 M KOH medium was investigated from 6 h to 16 weeks immersion. By a unique combination of structural and elemental characterisations, the corrosion products are evidenced in those systems. In particular, we demonstrate that Ni and Mg combine in a pseudo-binary hydroxide Mg1-xNix(OH)2 whereas La corrodes into nanoporous La(OH)3 needles with inner hollow nanochannels.

  16. A structural study of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 at high pressure

    CERN Document Server

    Kozlenko, D P; Hull, S; Knorr, K; Savenko, B N; Shchennikov, V V; Voronin, V I

    2002-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P approx 1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of the Landau theory of phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e sub 4. This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides

  17. A Structural Study of the Pseudo-Binary Mercury Chalcogenide Alloy HgSe_{0.7}S_{0.3} at High Pressure

    CERN Document Server

    Kozlenko, D P; Ehm, L; Knorr, K; Hull, S; Shchennikov, V V; Voronin, V I

    2002-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe_{0.7}S_{0.3} has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P{\\sim}1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of Landau theory of the phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e_{4}. This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides.

  18. A structural study of the pseudo-binary mercury chalcogenide alloy HgSe0.7S0.3 at high pressure

    International Nuclear Information System (INIS)

    Kozlenko, D.P.; Savenko, B.N.; Ehm, L.; Knorr, K.; Hull, S.; Shchennikov, V.V.; Voronin, V.I.

    2002-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe 0.7 S 0.3 has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P∼1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of the Landau theory of phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e 4 . This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides

  19. Synergistic promotion of polar phase crystallization of PVDF by ionic liquid with PEG segment

    Science.gov (United States)

    Xu, Pei; Fu, Weijia; Cui, Zhaopei; Ding, Yunsheng

    2018-06-01

    To investigate the effect of imidazolium ionic liquid with poly(ethylene glycol) segment (IL) on the polar phase crystallization behavior of poly(vinylidene fluoride) (PVDF), a series of PVDF/IL composites were prepared using solution-cast method. The crystallization peak temperature of PVDF composites and the growth speed of samples decrease with increasing of IL. The >CF2 groups in amorphous region are retained and >CF2 groups in crystalline region are liberated by the PEG long soft segments of IL. The intensity of peaks represented as α phase reduces, moreover polar phase content increases with increasing of IL. The interaction between the >CF2 and the imidazolium cation can induce the polar phase, and the interaction between the >CF2 and PEG soft segment can strengthen polar crystalline induction. PVDF/12IL composite can form big γ spherulite circled by β phase.

  20. Diffusion pathway of mobile ions and crystal structure of ionic and mixed conductors. A brief review

    International Nuclear Information System (INIS)

    Yashima, Masatomo

    2009-01-01

    A brief review on the field of Solid State Ionics, including the diffusion pathway of mobile ions, crystal structure and materials, is presented. In the fluorite-structured ionic conductors such as ceria solid solution Ce 0.93 Y 0.07 O 1.96 , bismuth oxide solid solution δ-Bi 1.4 Yb 0.6 O 3 and copper iodide CuI, a similar curved diffusion pathway along the directions is observed. In the ionic and mixed conductors with the cubic ABO 3 perovskite-type structure such as lanthanum gallate and lanthanum cobaltite solid solutions, the mobile ions diffuse along a curved line keeping the interatomic distance between the B cation and O 2- anion to some degree. The structure and diffusion path of double-perovskite-type La 0.64 Ti 0.92 Nb 0.08 O 2.99 , K 2 NiF 4 -type (Pr 0.9 La 0.1 ) 2 (Ni 0.74 Cu 0.21 Ga 0.05 )O 4+δ , and apatite-type La 9.69 (Si 5.70 Mg 0.30 )O 26.24 are described. The diffusion paths of Li + ions in La 0.62 Li 0.16 TiO 3 and Li 0.6 FePO 4 are two- and one-dimensional, respectively. (author)

  1. Pressure effect on ionic conductivity in yttrium-oxide-doped single-crystal zirconium oxide

    International Nuclear Information System (INIS)

    Park, E.T.; Park, J.H.

    1998-06-01

    In this study, the authors investigated the effect of pressure on the ionic conductivity of a 9.5 mol% yttria-stabilized zirconia (YSZ) single crystal. The experiment was conducted in the elastic region, and the oxygen ion transport number was unity (t ion > 0.99999). A conventional four-probe DC method was used to measure the ionic conductivity of the rectangular-shaped sample under uniaxial pressures up to 600 atm at 750 C in air. Measured ionic conductivity decreased as applied pressure increased. Based on henry Eyring's absolute reaction rate theory, which states that the calculated activation volume has a positive value (ΔV 2 = 2.08 cm 3 /mol of O -2 ) for oxygen ion transport in the fluoride cubic lattice, they concluded that the results they obtained could be explained by an oxygen ion transport mechanism. This mechanism can explain the fact that the interionic distance increases during oxygen ion transport from one unit cell to neighboring unit cells

  2. Antisolvent crystallization of a cardiotonic drug in ionic liquids: Effect of mixing on the crystal properties

    Science.gov (United States)

    de Azevedo Jacqueline, Resende; Fabienne, Espitalier; Jean-Jacques, Letourneau; Inês, Ré Maria

    2017-08-01

    LASSBio-294 (3,4-methylenedioxybenzoyl-2-thienylhydrazon) is a poorly soluble drug which has been proposed to have major advantages over other cardiotonic drugs. Poorly water soluble drugs present limited bioavailability due to their low solubility and dissolution rate. An antisolvent crystallization processing can improve the dissolution rate by decreasing the crystals particle size. However, LASSBio-294 is also poorly soluble in organic solvents and this operation is limited. In order to open new perspectives to improve dissolution rate, this work has investigated LASSBio-294 in terms of its antisolvent crystallization in 1-ethyl-3-methylimidazolium methyl phosphonate [emim][CH3O(H)PO2] as solvent and water as antisolvent. Two modes of mixing are tested in stirred vessel with different pre-mixers (Roughton or T-mixers) in order to investigate the mixing effect on the crystal properties (crystalline structure, particle size distribution, residual solvent and in vitro dissolution rate). Smaller drug particles with unchanged crystalline structure were obtained. Despite the decrease of the elementary particles size, the recrystallized particles did not achieve a better dissolution profile. However, this study was able to highlight a certain number of findings such as the impact of the hydrodynamic conditions on the crystals formation and the presence of a gel phase limiting the dissolution rate.

  3. Crystal structure and vibrational spectra of piperazinium bis(4-hydroxybenzenesulphonate) molecular-ionic crystal

    Science.gov (United States)

    Marchewka, M. K.; Pietraszko, A.

    2008-02-01

    The piperazinium bis(4-hydroxybenzenesulphonate) crystallizes from water solution at room temperature in P2 1/ c space group of monoclinic system. The crystals are built up of doubly protonated piperazinium cations and ionized 4-hydroxybenzenesulphonate anions that interact through weak hydrogen bonds of O-H⋯O and N-H⋯O type. Mutual orientation of anions is determined by non-conventional hydrogen bonds of C-H⋯π type. Room temperature powder FT IR and FT Raman measurements were carried out. The vibrational spectra are in full agreement with the structure obtained from X-ray crystallography. The big single crystals of the title salt can be grown.

  4. Crystal structure and ionic conduction path of solid electrolytic materials by high temperature neutron diffraction method

    International Nuclear Information System (INIS)

    Yashima, Masatomo; Nomura, Katsuhiro

    2005-01-01

    Research of the distribution of oxide ions and the ionic conduction path of bismuth oxide (Bi 2 O 3 ), cerium oxide (CeO 2 ) and lanthanum gallate ((La 0.8 Sr 0.2 )(Ga 0.8 Mg 0.15 Co 0.05 )O 3-δ ) is stated. The high temperature neutron diffraction method, analytical method such as Rietveld method, crystal structure analysis of ionic conductor and MEM (Maximum- Entropy Method) are explained. The nuclear density distribution of oxide ions in bismuth oxide showed so larger distribution in the direction of and than Bi ions that the oxide ions conducted these direction in the crystal. The nuclear density distribution of oxide ions of cerium oxide indicated larger distribution in the direction of than Ce ions and its tendency was remarkable at high temperature. Accordingly, the oxide ions conducted in the direction of and . The oxide ions distribution in lanthanum gallate compound was larger and complicated than positive ions. The oxide ions conducted to by describing an arc between the two stable positions. The nuclear density on the conduction path increased with increasing temperature. This above result corresponded to increase of oxide ion conductivity in the area. (S.Y.)

  5. Polymerizable Ionic Liquid Crystals Comprising Polyoxometalate Clusters toward Inorganic-Organic Hybrid Solid Electrolytes

    Directory of Open Access Journals (Sweden)

    Takeru Ito

    2017-07-01

    Full Text Available Solid electrolytes are crucial materials for lithium-ion or fuel-cell battery technology due to their structural stability and easiness for handling. Emergence of high conductivity in solid electrolytes requires precise control of the composition and structure. A promising strategy toward highly-conductive solid electrolytes is employing a thermally-stable inorganic component and a structurally-flexible organic moiety to construct inorganic-organic hybrid materials. Ionic liquids as the organic component will be advantageous for the emergence of high conductivity, and polyoxometalate, such as heteropolyacids, are well-known as inorganic proton conductors. Here, newly-designed ionic liquid imidazolium cations, having a polymerizable methacryl group (denoted as MAImC1, were successfully hybridized with heteropolyanions of [PW12O40]3− (PW12 to form inorganic-organic hybrid monomers of MAImC1-PW12. The synthetic procedure of MAImC1-PW12 was a simple ion-exchange reaction, being generally applicable to several polyoxometalates, in principle. MAImC1-PW12 was obtained as single crystals, and its molecular and crystal structures were clearly revealed. Additionally, the hybrid monomer of MAImC1-PW12 was polymerized by a radical polymerization using AIBN as an initiator. Some of the resulting inorganic-organic hybrid polymers exhibited conductivity of 10−4 S·cm−1 order under humidified conditions at 313 K.

  6. Adiabatic compressibility of pseudo-binary aqueous solutions of tert-butyl alcohol and dimethylsulfoxide as a result of ultrasonic investigations

    International Nuclear Information System (INIS)

    Miecznik, Piotr; Kaczmarek, Milena

    2006-01-01

    The tert-butyl alcohol (TBA) and dimethyl sulfoxide (DMSO) are two small molecules geometrically very similar, but having different polar groups. Taking into account the intermolecular interactions in the TBA/H 2 O and DMSO/H 2 O systems, especially in the water-rich region of concentration, the ultrasonic speeds (high accuracy resonance method at the frequency 7.5 MHz) and densities in pseudo-binary mixtures of the system: (TBA + H 2 O + DMSO) with the ratio (TBA + DMSO)/H 2 O = 1/25 have been measured. From these data, various thermodynamical parameters such as adiabatic compressibility, molar volume, thermal expansivity, and the deviation from reference system have been calculated. In addition, the isobaric molar heat capacity to convert adiabatic compressibility to the isothermal one has been measured. All these parameters have been discussed to explain solute-solvent and solute-solute interactions, especially the effect of the complexation process between TBA and DMSO molecules. The composition dependence of these deviations functions was interpreted in the light of the mixing schemes in the aqueous solutions of TBA and DMSO

  7. Adiabatic compressibility of pseudo-binary aqueous solutions of tert-butyl alcohol and dimethylsulfoxide as a result of ultrasonic investigations

    Energy Technology Data Exchange (ETDEWEB)

    Miecznik, Piotr [Institute of Acoustics, Adam Mickiewicz University, Umultowska 85, PL-61-614 Poznan (Poland)]. E-mail: miecznik@main.amu.edu.pl; Kaczmarek, Milena [Institute of Acoustics, Adam Mickiewicz University, Umultowska 85, PL-61-614 Poznan (Poland)

    2006-11-15

    The tert-butyl alcohol (TBA) and dimethyl sulfoxide (DMSO) are two small molecules geometrically very similar, but having different polar groups. Taking into account the intermolecular interactions in the TBA/H{sub 2}O and DMSO/H{sub 2}O systems, especially in the water-rich region of concentration, the ultrasonic speeds (high accuracy resonance method at the frequency 7.5 MHz) and densities in pseudo-binary mixtures of the system: (TBA + H{sub 2}O + DMSO) with the ratio (TBA + DMSO)/H{sub 2}O = 1/25 have been measured. From these data, various thermodynamical parameters such as adiabatic compressibility, molar volume, thermal expansivity, and the deviation from reference system have been calculated. In addition, the isobaric molar heat capacity to convert adiabatic compressibility to the isothermal one has been measured. All these parameters have been discussed to explain solute-solvent and solute-solute interactions, especially the effect of the complexation process between TBA and DMSO molecules. The composition dependence of these deviations functions was interpreted in the light of the mixing schemes in the aqueous solutions of TBA and DMSO.

  8. Self-Assembled Polymeric Ionic Liquid-Functionalized Cellulose Nano-crystals: Constructing 3D Ion-conducting Channels Within Ionic Liquid-based Composite Polymer Electrolytes.

    Science.gov (United States)

    Shi, Qing Xuan; Xia, Qing; Xiang, Xiao; Ye, Yun Sheng; Peng, Hai Yan; Xue, Zhi Gang; Xie, Xiao Lin; Mai, Yiu-Wing

    2017-09-04

    Composite polymeric and ionic liquid (IL) electrolytes are some of the most promising electrolyte systems for safer battery technology. Although much effort has been directed towards enhancing the transport properties of polymer electrolytes (PEs) through nanoscopic modification by incorporating nano-fillers, it is still difficult to construct ideal ion conducting networks. Here, a novel class of three-dimensional self-assembled polymeric ionic liquid (PIL)-functionalized cellulose nano-crystals (CNC) confining ILs in surface-grafted PIL polymer chains, able to form colloidal crystal polymer electrolytes (CCPE), is reported. The high-strength CNC nano-fibers, decorated with PIL polymer chains, can spontaneously form three-dimensional interpenetrating nano-network scaffolds capable of supporting electrolytes with continuously connected ion conducting networks with IL being concentrated in conducting domains. These new CCPE have exceptional ionic conductivities, low activation energies (close to bulk IL electrolyte with dissolved Li salt), high Li + transport numbers, low interface resistances and improved interface compatibilities. Furthermore, the CCPE displays good electrochemical properties and a good battery performance. This approach offers a route to leak-free, non-flammable and high ionic conductivity solid-state PE in energy conversion devices. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Quantum theoretical calculations of activation energies for the mass transfer at phase boundaries of ionic crystals. 4

    International Nuclear Information System (INIS)

    Winzer, A.

    1978-01-01

    It is shown that a direct proportionality exists between the activation energy for the mass transfer at the respective crystal faces of ionic crystals and the frequency of the phonones (longitudinal-optical), Planck's constant being found once more as a proportionality constant. Thus it could be demonstrated that the different activation energies measured at different time intervals for the mass transfer processes at phase boundaries of ionic crystals can be attributed to the specific growth of the crystal faces. Thus, NaCl crystal fractions which were mechanically stressed (pulverized and sifted) and consequently contained a great amount of [111]- and [110]-faces, respectively, experimentally yielded an activation energy which agrees with the values determined by quantum theory when the frequency of propagation of the phonons is inserted into a derived equation. This relation was also confirmed by NaCl crystal fractions predominantly containing cubic faces. This also indicates that in mass transfer processes on phase boundaries of ionic crystals quantum mechanical laws are of importance. (author)

  10. IR femtochemistry on the surface of wide-gap ionic crystals

    Science.gov (United States)

    Laptev, V. B.; Chekalin, S. V.; Dorofeyev, I. A.; Kompanets, V. O.; Pigulsky, S. V.; Ryabov, E. A.

    2018-02-01

    We have found and studied a phenomenon of the growth of films resulting from decomposition of some organic and silicon-containing molecules adsorbed on the surface of ionic crystals under the action of IR (1.4-5.4 µm) femtosecond radiation of a moderate intensity, ~1011 W cm-2. In the gas phase, these molecules do not decompose. Microstructured films consisting of amorphous carbon, graphite oxide, and silicon dioxide have been obtained. The formation of carbon films was accompanied by the appearance of different hydrocarbons in the gas phase. The extensive films of graphite oxide have been obtained. The decomposition of molecules on the surface is apparently caused by non-resonant ionization and subsequent deep fragmentation. The mechanisms of ionization at relatively low intensities of the femtosecond IR radiation have been discussed.

  11. On the mobility of delocalized and self-trapped positronium states in ionic crystals

    CERN Document Server

    Bondarev, I V

    2003-01-01

    The temperature dependence of the diffusivity is studied for delocalized and self-trapped positronium (Ps) atoms in ionic crystals. Detailed calculations taking into account low-temperature and inelastic scattering corrections and a Ps scattering form-factor have been performed for delocalized Ps. Low-temperature and inelastic corrections to the delocalized Ps diffusivity are shown to be essential below several tens of K, while the form-factor contribution is negligibly small up to thousand K. The mobility of self-trapped Ps is analyzed within the framework of a small polaron approach. The hopping contribution to the self-trapped Ps diffusivity is shown to be adiabatic in its physical nature. The tunnel contribution is in general not small and may turn out to be dominating even at very high temperatures. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

  12. Phase behaviour of pseudo-binary systems of pressurized ((propane + L,L-lactide)) at different ethanol to L,L-lactide mole ratios

    International Nuclear Information System (INIS)

    Bender, João P.; Tres, Marcus V.; Corazza, Marcos L.; Ferreira, Sandra R.S.; Oliveira, J. Vladimir

    2014-01-01

    Highlights: • Phase equilibrium data of (propane + L,L-lactide) system at different ethanol to monomer mole ratios. • Static synthetic method from (323 to 353) K and pressures up to 3.3 MPa. • (Vapour + liquid) (VLE) was observed with bubble point (BP) type transitions. • Experimental modelled using the Peng–Robinson (PR) equation with the Wong–Sandler (PR–WS) rule. - Abstract: This work reports phase equilibrium data of pressurized (propane + L,L-lactide) system at different ethanol to monomer mole ratios (9:1; 7:1; 5:1). Phase equilibrium experiments were accomplished in a high-pressure variable-volume view cell employing the static synthetic method. (Vapour + liquid) equilibrium data for the pseudo-binary systems were determined within the temperature range from (323 to 353) K and pressures up to 3.3 MPa. For the systems investigated, (vapour + liquid) equilibrium (VLE) was visually recorded. It was observed that an increase in temperature or in propane concentration led to a pronounced rise in pressure transition values. On the other hand, an increase in the ethanol to L,L-lactide mole ratio led to a reduction in pressure transitions, whereas a reduction in ethanol concentration complicates the achievement of one-phase homogeneous system. Thus, rapid complete miscibility of the system can be controlled by the amount of ethanol added as a co-solvent. The experimental results were modelled using the Peng–Robinson (PR) equation of state with the Wong–Sandler (PR–WS) mixing rule, providing a good representation of the experimental phase transition points

  13. UV-vis, IR and 1H NMR spectroscopic studies and characterization of ionic-pair crystal violet-oxytetracycline

    Science.gov (United States)

    Orellana, Sandra; Soto, César; Toral, M. Inés

    2010-01-01

    The present study shows the formation and characterization of the ionic-pair between the antibiotic oxytetracycline and the dye crystal violet in ammonia solution pH 9.0 ± 0.2 extracted into chloroform. The characterization was demonstrated using UV-vis spectrophotometry, 1H NMR, measurement of relaxation times T1 and IR spectroscopy, using a comparison between the signals of individual pure compounds with the signals with the mixture CV-OTC in different alkaline media. The formation of ionic-pair was also corroborated by new signals and chemical shifts. (2D) NMR spectroscopy experiments show that the interaction is electrostatic.

  14. Photophysical processes of ionic crystals exitation at photosorption and photocatalysis. Fotofizicheskie protsessy vozbuzhdeniya ionnykh kristallov pri fotovozbuzhdenii i fotokatalize

    Energy Technology Data Exchange (ETDEWEB)

    Ryabchuk, V K; Burukina, G V [Leningradskij Gosudarstvennyj Univ., Leningrad (Russian Federation). Nauchno-Issledovatel' skij Fizicheskij Inst.

    1991-06-01

    Processes of photoexcitation of wide-band oxides and alkali-halide crystals (AHC) within intrinsic absorption range, of impurity absorption and surface states and photoinduced colour centers resulting in development of centers of photosorption and photocatalysis are considered. Mechanisms of effect of photosorption of O[sub 2], H[sub 2], CH[sub 4] and other molecules on photostimulated defect formation in oxides and AHC as well as atomic and ionic processes in photosorption and photocatalysis are dicussed.

  15. Interaction of slow, highly charged ions with the surface of ionic crystals

    International Nuclear Information System (INIS)

    Heller, Rene

    2009-01-01

    In this thesis the creation of permanent nanostructures induced by the impact of very slow (v≤5 x 10 5 m/s) highly charged (q≤40) ions on the ionic crystal surfaces of CaF 2 and KBr is investigated. The systematic analysis of the samples surfaces by means of atomic force microscopy supplies information on the influence of the potential as well as the kinetic projectile energy on the process of structure creation. The individual impact of highly charged ions on the KBr(001) surface can initiate the creation of mono-atomic deep pit-like structures -nanopits- with a lateral size of a few 10 nm. The volume of these pits and the corresponding number of sputtered secondary particles show a linear dependence on the projectiles potential energy. For the onset of pit formation a kinetic energy dependent threshold in the potential energy E grenz pot (E kin ) could be identified. Based on the defect-mediated desorption by electrons and by including effects of defect agglomeration a consistent model for the process of pit formation was drawn. In this work the recently discovered creation of hillock-like structures by impact of highly charged ions on CaF 2 (111) surfaces could be verified for lowest kinetic energies (E kin ≤150 eV x q). For the first time the potential energy of impinging projectiles could be identified to be exclusively responsible for the creation of nanostructures. Furthermore, a shift of potential energy threshold for hillock formation was observed for very small projectile velocities. Within the framework of cooperation with the Vienna University of Technology simulations based on the inelastic thermal spike model were performed, which allowed to interlink the individual hillock formation with a local melting of the ionic lattice. The essential influence of electron emission during the interaction of the highly charged ions with the surface on the process of nanostructuring was taken into consideration by complementary investigations of the secondary

  16. Proton-conductive materials formed by coumarin photocrosslinked ionic liquid crystal dendrimers

    NARCIS (Netherlands)

    Concellon, A.; Liang, T.; Schenning, A.P.H.J.; Luis Serrano, J.; Romero, P.; Marcos, M.

    2018-01-01

    In this work, we have successfully examined for the first time the use of ionic dendrimers as building blocks for the preparation of 1D and 2D proton conductive materials. For this purpose, a new family of liquid crystalline dendrimers has been synthesized by ionic self-assembly of poly(amidoamine)

  17. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  18. The pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 at high pressure: a mechanism for the zinc blende to cinnabar reconstructive phase transition

    CERN Document Server

    Kozlenko, D P; Ehm, L; Hull, S; Savenko, B N; Shchennikov, V V; Voronin, V I

    2003-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 has been studied by x-ray and neutron powder diffraction at pressures up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P approx 1 GPa. A phenomenological model of this reconstructive phase transition based on a displacement mechanism is proposed. Analysis of the geometrical relationship between the zinc blende and the cinnabar phases has shown that the possible order parameter for the zinc blende-cinnabar structural transformation is the spontaneous strain e sub 4. This assignment agrees with the previously observed high pressure behaviour of the elastic constants of some mercury chalcogenides.

  19. Visual indication of enviromental humidity by using poly(ionic liquid) photonic crystals.

    Science.gov (United States)

    Huang, Jing; Tao, Cheng-an; An, Qi; Lin, Changxu; Li, Xuesong; Xu, Dan; Wu, Yiguang; Li, Xiaogang; Shen, Dezhong; Li, Guangtao

    2010-06-21

    The combination of poly (ionic liquid) and photonic structure affords a new class of self-reporting humidity sensory materials with excellent reversibility, which are able to rapidly, sensitively and visually indicate environmental humidity with colour change from blue to green, orange, and red, covering the whole visible range.

  20. Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state.

    Science.gov (United States)

    Sukhomlinov, Sergey V; Müser, Martin H

    2015-12-14

    In this work, we study how including charge transfer into force fields affects the predicted elastic and vibrational Γ-point properties of ionic crystals, in particular those of rock salt. In both analytical and numerical calculations, we find that charge transfer generally leads to a negative contribution to the Cauchy pressure, P(C) ≡ C12 - C66, where C12 and C66 are elements of the elastic tensor. This contribution increases in magnitude with pressure for different charge-transfer approaches in agreement with results obtained with density functional theory (DFT). However, details of the charge-transfer models determine the pressure dependence of the longitudinal optical-transverse optical splitting and that for partial charges. These last two quantities increase with density as long as the chemical hardness depends at most weakly on the environment while experiments and DFT find a decrease. In order to reflect the correct trends, the charge-transfer expansion has to be made around ions and the chemical (bond) hardness has to increase roughly exponentially with inverse density or bond lengths. Finally, the adjustable force-field parameters only turn out meaningful, when the expansion is made around ions.

  1. Neutron scattering experiments of the ionic crystal deformed plastically with uniaxial compression under high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Tsuchiya, Yoshinori; Minakawa, Nobuaki; Aizawa, Kazuya; Ozawa, Kunio [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1996-04-01

    As an aim of huge growth of alkali halide (AH) single crystal, a mosaic structure of small size AH single crystal deformed plastically with uniaxial compression under high temperature was evaluated due to its neutron irradiation experiment. Using TAS-2 installed at JRR-3M guide hole of Japan Atomic Energy Research Institute, locking curve at a representative face factor of the specimen was measured to observe the mosaic structure accompanied with expansion of the crystal due to compression. As a result, though the specimen before compression could be supposed to be divided to some parts already, the locking curve under 10 sec. of compression time showed already some fracture to divisions to suppose finer degradation of the crystal, and division of the locking curve at 600 sec. of compression time could be observed onto its 220 face. And, every compressed specimens showed some changes of crystallization method from standard sample. (G.K.)

  2. Protic Organic Ionic Plastic Crystals: Fast Solid-State Proton Conductors

    DEFF Research Database (Denmark)

    Luo, Jiangshui; Aili, David; Pan, Chao

    2016-01-01

    High temperature polymer electrolyte membrane fuel cells (PEMFCs) operating between 100 °C and 200 °C are desirable because they offer significant benefits, such as improved electrode kinetics, simpler water and heat management, and better tolerance to fuel impurities, leading to higher overall...... system efficiencies [1]. However, state-of-the-art high temperature PEMFCs suffer from leakage problems associated with liquid electrolytes, such as H3PO4 and protic ionic liquids....

  3. 1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells

    DEFF Research Database (Denmark)

    Luo, Jiangshui; Jensen, Annemette Hindhede; Brooks, Neil R.

    2015-01-01

    1,2,4-Triazolium perfluorobutanesulfonate (1), a novel, pure protic organic ionic plastic crystal (POIPC) with a wide plastic crystalline phase, has been explored as a proof-of-principle anhydrous proton conductor for all-solid-state high temperature hydrogen/air fuel cells. Its physicochemical p...

  4. Ionic Liquid Crystals Modifier for Selective Determination of Terazosin Antihypertensive Drug in Presence of Common Interference Compounds

    Directory of Open Access Journals (Sweden)

    Nada F. Atta

    2017-01-01

    Full Text Available Electrochemical sensor was fabricated based on carbon paste electrode modified with an ionic liquid crystal ILC (2-chloro-1,3-dimethyl-imidazolidinium hexafluorophosphate in presence of sodium dodecyl sulfate for the selective electrochemical determination of Terazosin (TZ in presence of common interference compounds. The electrode performance was compared in presence of other ionic liquids ILs (1-Butyl-4-methyl pyridinium tetrafluoroborate and (1-n-Hexyl-3-methyl imidazolium tetrafluoroborate. Ultrasensitive determination of Terazosin HCl at the ILC modified electrode in the linear dynamic ranges of 0.002 to 0.09 μmol·L−1 and 0.2 to 30 μmol·L−1 with correlation coefficients 0.996 and 0.995 and LODs 1.69 × 10−11 mol·L−1 and 6.43 × 10−9 mol·L−1, respectively, were obtained. Selective determination of TZ in presence of uric acid and ascorbic acid and simultaneous determination of binary mixtures of TZ/dopamine, TZ/paracetamol and TZ/Morphine were also determined successfully using the modified sensor.

  5. On the law of interaction between charged defects in ionic crystals

    International Nuclear Information System (INIS)

    Varaksin, A.N.; Kolmogorov, Yu.N.

    1990-01-01

    Values of E int PC (R 12 ) interaction energy between dominant defects in NaCl- and CaF 2 -type crystals are calculated using Mott-Littleton method in harmonic approximation. It is shown, that interaction between cationic and anionic vacancies in NaCl type crystals is described using Coulomb law for charge interaction in dielectric up till R 12 smallest distances between vacancies. Good conformity of E int PC R 12 values with calculation made using Coulomb formula should be expected for Frenkel anionic pair in CaF 2 type crystals. Deviations from Coulomb law are possible for other defects at R 12 small distances; deviation degree depends on lattice type, defect type and on relative polarizability of crystal cationic and anionic sublattices. Calculations of E int PC (R 12 ) values using Mott-Littleton method are compared with calculations conducted by MOLSTAT program using molecular static method

  6. Vibrational, calorimetric and nonlinear optical studies of melaminium-bis(trichloroacetate) monohydrate molecular ionic crystal

    Science.gov (United States)

    Debrus, S.; Marchewka, M. K.; Drozd, M.; Ratajczak, H.

    2007-04-01

    The efficiency of second harmonic generation for melaminium bis(trichloroacetate) was estimated relatively to KDP: deff = 3.09 deff (KDP). Room temperature FT IR and FT Raman spectra were recorded. Some spectral features of this new crystal are referred to corresponding one for melamine crystal as well as for other trichloroacetates. Differential scanning calorimetric measurements performed on powder sample indicate the phase transition point at approximately 276 and 239 K for heating and cooling, respectively.

  7. In situ SAXS study on cationic and non-ionic surfactant liquid crystals using synchrotron radiation.

    Science.gov (United States)

    Fritscher, C; Hüsing, N; Bernstorff, S; Brandhuber, D; Koch, T; Seidler, S; Lichtenegger, H C

    2005-11-01

    In situ synchrotron small-angle X-ray scattering was used to investigate various surfactant/water systems with hexagonal and lamellar structures regarding their structural behaviour upon heating and cooling. Measurements of the non-ionic surfactant Triton X-45 (polyethylene glycol 4-tert-octylphenyl ether) at different surfactant concentrations show an alignment of the lamellar liquid-crystalline structure close to the wall of the glass capillaries and also a decrease in d-spacing following subsequent heating/cooling cycles. Additionally, samples were subjected to a weak magnetic field (0.3-0.7 T) during heating and cooling, but no influence of the magnetic field was observed.

  8. In situ direct observation of photocorrosion in ZnO crystals in ionic liquid using a laser-equipped high-voltage electron microscope

    Directory of Open Access Journals (Sweden)

    J. Ishioka

    2017-03-01

    Full Text Available ZnO photocatalysts in water react with environmental water molecules and corrode under illumination. ZnO nanorods in water can also grow because of water splitting induced by UV irradiation. To investigate their morphological behavior caused by crystal growth and corrosion, here we developed a new laser-equipped high-voltage electron microscope and observed crystal ZnO nanorods immersed in ionic liquid. Exposing the specimen holder to a laser with a wavelength of 325 nm, we observed the photocorrosion in situ at the atomic scale for the first time. This experiment revealed that Zn and O atoms near the interface between the ZnO nanorods and the ionic liquid tended to dissolve into the liquid. The polarity and facet of the nanorods were strongly related to photocorrosion and crystal growth.

  9. Optical nose based on porous silicon photonic crystal infiltrated with ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Haijuan [Institute of Microanalytical System, Department of Chemistry, Zhejiang University, Hangzhou, 3100058 (China); Zhejiang Academy of Medical Sciences, Hangzhou, 310013 (China); Lin, Leimiao; Liu, Dong; Chen, Qiaofen [Institute of Microanalytical System, Department of Chemistry, Zhejiang University, Hangzhou, 3100058 (China); Wu, Jianmin, E-mail: wjm-st1@zju.edu.cn [Institute of Microanalytical System, Department of Chemistry, Zhejiang University, Hangzhou, 3100058 (China)

    2017-02-08

    A photonic-nose for the detection and discrimination of volatile organic compounds (VOCs) was constructed. Each sensing element on the photonic sensor array was formed by infiltrating a specific type of ionic liquid (IL) into the pore channel of a patterned porous silicon (PSi) chip. Upon exposure to VOC, the density of IL dramatically decreased due to the nano-confinement effect. As a result, the IL located in pore channel expanded its volume and protrude out of the pore channel, leading to the formation of microdroplets on the PSi surface. These VOC-stimulated microdroplets could scatter the light reflected from the PSi rugate filter, thereby producing an optical response to VOC. The intensity of the optical response produced by IL/PSi sensor mainly depends on the size and shape of microdroplets, which is related to the concentration of VOC and the physi-chemical propertied of ILs. For ethanol vapor, the optical response has linear relationship with its relative vapor pressure within 0–60%. The LOD of the IL/PSi sensor for ethanol detection is calculated to be 1.3 ppm. It takes around 30 s to reach a full optical response, while the time for recovery is less than 1 min. In addition, the sensor displayed good stability and reproducibility. Owing to the different molecular interaction between IL and VOC, the ILs/PSi sensor array can generate a unique cross-reactive “fingerprint” in response to a specific type of VOC analyte. With the assistance of image technologies and principle components analysis (PCA), rapid discrimination of VOC analyte could be achieved based on the pattern recognition of photonic sensor array. The technology established in this work allows monitoring in-door air pollution in a visualized way. - Highlights: • Ionic liquids confined in the pore channel of porous silicon (PSi) can form microdroplets on the PSi surface upon exposure to VOCs. • These VOC-stimulated microdroplets could scattered the light reflected from the PSi rugate

  10. Fluid-crystal coexistence for proteins and inorganic nanocolloids : Dependence on ionic strength

    NARCIS (Netherlands)

    Prinsen, P.; Odijk, T.

    2006-01-01

    We investigate theoretically the fluid-crystal coexistence of solutions of globular charged nanoparticles such as proteins and inorganic colloids. The thermodynamic properties of the fluid phase are computed via the optimized Baxter model P. Prinsen and T. Odijk [J. Chem. Phys. 121, 6525 (2004)].

  11. Ionic and electronic dark decay of holograms in LiNbO3:Fe crystals

    International Nuclear Information System (INIS)

    Yang, Yunping; Nee, Ingo; Buse, Karsten; Psaltis, Demetri

    2001-01-01

    The lifetimes of nonfixed holograms in LiNbO 3 :Fe crystals with doping levels of 0.05, 0.138, and 0.25 wt% Fe 2 O 3 have been measured in the temperature range from 30 to 180 degree C. The time constants of the dark decay of holograms stored in crystals with doping levels of 0.05 and 0.25 wt% Fe 2 O 3 obey an Arrhenius-type dependence on absolute temperature T, but yield two activation energies: 1.0 and 0.28 eV, respectively. For these crystals, two different dark decay mechanisms are prevailing, one of which is identified as proton compensation and the other is due to electron tunneling between sites of Fe 2+ and Fe 3+ . The dark decay of holograms stored in crystals with the doping level of 0.138 wt% Fe 2 O 3 is the result of a combination of both effects. [copyright] 2001 American Institute of Physics

  12. Crystal structure of dimethylformamidium bis(trifluoromethanesulfonyl)amide: an ionic liquid

    OpenAIRE

    Allan Jay P. Cardenas; Molly O'Hagan

    2016-01-01

    At 100?K, the title mol?ecular salt, C3H8NO+?C2F6NO4S2 ?, has ortho?rhom?bic (P212121) symmetry; the amino H atom of bis?(tri?fluoro?methane?sulfon?yl)amine (HNTf2) was transferred to the basic O atom of di?methyl?formamide (DMF) when the ionic liquid components were mixed. The structure displays an O?H?N hydrogen bond, which links the cation to the anion, which is reinforced by a non-conventional C?H?O inter?action, generating an R 2 2(7) loop. A further very weak C?H?O inter?action generate...

  13. Ionic character of polar crystals: An extended Mulliken scheme for electronegativities

    International Nuclear Information System (INIS)

    Watson, R.E.; Bennett, L.H.; Davenport, J.W.

    1983-01-01

    The total energy of an atom can be expressed in terms of the charge q on the atom as E(q) = E(0)+αq+βq 2 +γq 3 . It is shown that the expected charge transfer q, which brings the intra-atomic energy of the atoms to a minimum, between otherwise isolated noninteracting atoms, is proportional to the difference in the α's of the constituent elements, i.e., q = c Δα. Thus α provides a well-defined electronegativity scale, and if the third-order term γq 3 may be neglected, then α = Phi/sub m/, which is the original Mulliken scale. The quadratic term βq 2 acts to oppose charge transfer, and therefore the coefficient c, relating q to Δα, depends on what elements are involved and on their relative concentration in a well-defined manner. This implies an asymmetry in charge transfer with concentration. Spectroscopic data indicate that γ, though small, is not negligible and, in such a case Phi/sub m/ is not a proper electronegativity. The extended Mulliken scheme, involving α and β, is relevant to the energetics of charge transfer and hence to the ionic character of insulating and semiconducting compounds. It allows simple baseline estimates to be made of such character. Other factors contribute to charge transfer and some of the complications associated with transition-metal compound formation are explored

  14. Low temperature and high pressure crystals of room temperature ionic liquid: N, N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium tetrafluoroborate

    International Nuclear Information System (INIS)

    Abe, Hiroshi; Imai, Yusuke; Takekiyo, Takahiro; Yoshimura, Yukihiro; Hamaya, Nozomu

    2014-01-01

    Crystals of room temperature ionic liquid (RTIL) are obtained separately at low temperature or under high pressure. The RTIL is N, N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium tetrafluoroborate, [DEME][BF 4 ]. At ambient pressure, low-temperature (LT) crystals appeared on slow cooling. By simultaneous X-ray diffraction and differential scanning calorimetry (DSC) measurements, metastable monoclinic and stable orthorhombic phases coexist in pure [DEME][BF 4 ]. Furthermore, the DSC thermal trace indicates that the metastable monoclinic phase was stabilized by adding water. In contrast, on compression process up to 7.6 GPa, crystallization is completely suppressed even upon slow compression. Direct observations using optical microscopy also support no crystal domain growth on compression process. High-pressure (HP) crystals at room temperature were seen only on decompression process, where two different kinds of crystals appeared subsequently. By crystal structure analysis, the LT crystal structures have no relation with the HP ones. Moreover, both metastable monoclinic phase at low temperature and higher pressure crystal has a folding molecular conformation and anti-parallel pairing of the [DEME] cation as the instability factors

  15. Optical nose based on porous silicon photonic crystal infiltrated with ionic liquids.

    Science.gov (United States)

    Zhang, Haijuan; Lin, Leimiao; Liu, Dong; Chen, Qiaofen; Wu, Jianmin

    2017-02-08

    A photonic-nose for the detection and discrimination of volatile organic compounds (VOCs) was constructed. Each sensing element on the photonic sensor array was formed by infiltrating a specific type of ionic liquid (IL) into the pore channel of a patterned porous silicon (PSi) chip. Upon exposure to VOC, the density of IL dramatically decreased due to the nano-confinement effect. As a result, the IL located in pore channel expanded its volume and protrude out of the pore channel, leading to the formation of microdroplets on the PSi surface. These VOC-stimulated microdroplets could scatter the light reflected from the PSi rugate filter, thereby producing an optical response to VOC. The intensity of the optical response produced by IL/PSi sensor mainly depends on the size and shape of microdroplets, which is related to the concentration of VOC and the physi-chemical propertied of ILs. For ethanol vapor, the optical response has linear relationship with its relative vapor pressure within 0-60%. The LOD of the IL/PSi sensor for ethanol detection is calculated to be 1.3 ppm. It takes around 30 s to reach a full optical response, while the time for recovery is less than 1 min. In addition, the sensor displayed good stability and reproducibility. Owing to the different molecular interaction between IL and VOC, the ILs/PSi sensor array can generate a unique cross-reactive "fingerprint" in response to a specific type of VOC analyte. With the assistance of image technologies and principle components analysis (PCA), rapid discrimination of VOC analyte could be achieved based on the pattern recognition of photonic sensor array. The technology established in this work allows monitoring in-door air pollution in a visualized way. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Crystal Structure, Vibrational Spectroscopy and ab Initio Density Functional Theory Calculations on the Ionic Liquid forming 1,1,3,3-Tetramethylguanidinium bis{(trifluoromethyl)sulfonyl}amide

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Riisager, Anders; Nguyen van Buu, Olivier

    2009-01-01

    The salt 1,1,3,3-tetramethylguanidinium bis{(trifluoromethyl)sulfonyl}amide, [((CH3)(2)N)(2)C=NH2](+)[N(SO2-CF3)(2)](-) or [tmgH][NTf2], easily forms an ionic liquid with high SO2 absorbing capacity. The crystal structure of the salt was determined at 120(2) K by X-ray diffraction. The structure...

  17. Nanotribology at single crystal electrodes: Influence of ionic adsorbates on friction forces studied with AFM

    Energy Technology Data Exchange (ETDEWEB)

    Hausen, Florian; Nielinger, Michael; Ernst, Siegfried [Institut fuer Physikalische und Theoretische Chemie, Universitaet Bonn, Roemerstrasse 164, D-53117 Bonn (Germany); Baltruschat, Helmut [Institut fuer Physikalische und Theoretische Chemie, Universitaet Bonn, Roemerstrasse 164, D-53117 Bonn (Germany)], E-mail: baltruschat@uni-bonn.de

    2008-09-01

    We present friction force measurements on Au(1 1 1) single crystal electrode surfaces performed under electrochemical conditions using an atomic force microscope (AFM). At monoatomic steps friction is increased in both scan directions. In 0.05 M sulfuric acid an increase of friction is observed with the increase of adsorbed sulfate. Friction force increases non-linearly with load. Cu UPD also increases friction in presence of sulfate. However, in presence of 4 x 10{sup -4} M chloride friction is much smaller for all deposited Cu coverages - ranging from a submonolayer up to bulk copper compared to the solution without chloride. After dissolution of bulk copper clusters deposited on Au(1 1 1) we observed an area with higher friction forces due to the formation of an alloy between gold and copper.

  18. Investigation of radiation-enhanced diffusions of non valency impurities in ionic crystals

    International Nuclear Information System (INIS)

    Surzhikov, A.P.; Pritulov, A.M.; Gyngazov, S.A.; Chernyavskij, A.V.

    1999-01-01

    Investigations of hetero valency ions Al +3 and Mg +2 diffusion in potassium bromide crystals, under the intensive electron radiation, were conducted. The electron accelerator ELV-6 generating a continuous electron beam of 1.4 MeV in power was used for the investigations. To discover the radiation effects, there was a comparison of outcomes of the heating under the same temperature and annealing duration values. The mass-spectrometer MS-7021M was used to measure the diffusion profiles. The experimental outcomes analysis was carried out by approximation of the experimental concentration profiles, using a relevant solution of Fick's equation. The numerical values of the diffusion factors for the set annealing temperatures were determined according to the approximation outcomes. The investigations were financed by the Russian Fundamental Research Fund

  19. Ionic liquid-assisted hydrothermal synthesis and excitation wavelength-dependent luminescence of YBO3:Eu3+ nano-/micro-crystals

    International Nuclear Information System (INIS)

    Tian, Yue; Tian, Bining; Chen, Baojiu; Cui, Cai’e; Huang, Ping; Wang, Lei; Hua, Ruinian

    2014-01-01

    Graphical abstract: Three dimensional (3D) architectures YBO 3 :Eu 3+ phosphors were prepared via ionic liquid assisted hydrothermal process. The pH values and ionic liquid play an important role on the morphology of products. Excitation wavelength-dependent luminescent behavior was found in the as-prepared tyre-like YBO 3 :Eu 3+ microspheres. Highlights: • YBO 3 :Eu 3+ phosphors were prepared via ionic liquid assisted hydrothermal process. • pH values and ionic liquid play an important role on the morphology of products. • Excitation wavelength-dependent luminescent behavior was found. -- Abstract: Three dimensional (3D) architectures YBO 3 :Eu 3+ phosphors were prepared via ionic liquid-assisted hydrothermal process and characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FE-SEM) and photoluminescence (PL). The pH value and ionic liquid play an important role in the control of morphology of products. By comparing with the corresponding bulk, the tyre-like YBO 3 :5 mol%Eu 3+ microspheres demonstrate a red shift of the charge transfer band (CTB), appearance of a long excitation tail at the long wavelength side of the CTB and high improved chromaticity. Two Eu 3+ environments in the tyre-like sample, namely interior and outside Eu 3+ , were found by selective excitation under the different wavelength light. Finally, fluorescent decays and Judd–Ofelt (J–O) theory were utilized to analyze the local crystal environments around Eu 3+ ions in the tyre-like and bulk phosphors

  20. Fullerol ionic fluids

    Science.gov (United States)

    Fernandes, Nikhil; Dallas, Panagiotis; Rodriguez, Robert; Bourlinos, Athanasios B.; Georgakilas, Vasilios; Giannelis, Emmanuel P.

    2010-09-01

    We report for the first time an ionic fluid based on hydroxylated fullerenes (fullerols). The ionic fluid was synthesized by neutralizing the fully protonated fullerol with an amine terminated polyethylene/polypropylene oxide oligomer (Jeffamine®). The ionic fluid was compared to a control synthesized by mixing the partially protonated form (sodium form) of the fullerols with the same oligomeric amine in the same ratio as in the ionic fluids (20 wt% fullerol). In the fullerol fluid the ionic bonding significantly perturbs the thermal transitions and melting/crystallization behavior of the amine. In contrast, both the normalized heat of fusion and crystallization of the amine in the control are similar to those of the neat amine consistent with a physical mixture of the fullerols/amine with minimal interactions. In addition to differences in thermal behavior, the fullerol ionic fluid exhibits a complex viscoelastic behavior intermediate between the neat Jeffamine® (liquid-like) and the control (solid-like).

  1. Fundamentals and applications of neutron diffraction. Applications 4. Crystal structure analysis of ionic conducting ceramic materials by means of neutron diffractometry

    International Nuclear Information System (INIS)

    Yashima, Masatomo

    2010-01-01

    The crystal structure and ionic diffusion path of ionic and mixed ionic-electronic conductors, which are important in a variety of applications such as fuel cells, gas sensors, catalyst and batteries, are reviewed. α-AgI has many occupational sites of mobile Ag ions. β-alumina exhibits two-dimensional Na ionic diffusion. In the fluorite-structured superionic conductors such as ceria solid solution Ce 0.93 Y 0.07 O 1.96 , bismuth oxide solid solution δ-Bi 1.4 -Yb 0.6 O 3 and copper iodide CuI, a similar curved diffusion pathway along the directions is observed. In the ionic conductors with the cubic ABO 3 perovskite-type structure such as lanthanum gallate and lanthanum cobaltite solid solutions, the mobile ions diffuses along a curved line keeping the interatomic distance between the B cation and O 2- anion to some degree. The structure and diffusion path of double-perovskite-type La 0.64 Ti 0.92 Nb 0.08 O 2.99 , K 2 NiF 4 -type(Pr 0.9 La 0.1 ) 2 (Ni 0.74 Cu 0.21 Ga 0.05 )O 4+δ , and apatite-type La 9.69 (Si 5.70 Mg 0.30 )O 26.24 are described. The structure and diffusion path of lithium-ion conductors La 0.62 Li 0.16 TiO 3 and Li 0.6 FePO 4 are also discussed. The diffusion paths of La 0.62 Li 0.16 TiO 3 and Li 0.6 FePO 4 are two- and one-dimensional, respectively. (author)

  2. Ionic thermometers

    International Nuclear Information System (INIS)

    Strnad, M.

    1975-01-01

    An original method of temperature measurement based on conductivity changes near the phase transition point of ionic compounds and suitable for the range from 200 to 700 0 C according to the thermometric compound used, is given. By choosing between two approaches it is posible to evaluate either a discrete value of temperature or continuous measurement in a range to about 50 0 C below the phase transition point of thermometric compounds. The extreme nonlinearity of conductivity of the chosen group of ionic crystals used as well as the technical applications developed in the laboratories have not previously been published. The aim of the research is the application of this measuring method for temperature indication in nuclear reactors. Preliminary tests in radiation fields in an experimental reactor are yielding a real hope in this direction. (author)

  3. Study of the pressure dependence of dielectric properties of ionic crystals with the exchange-charge model

    Energy Technology Data Exchange (ETDEWEB)

    Batana, A; Faour, J

    1987-03-01

    The formalism of the exchange-charge model (ECM) is extended for studying the pressure dependence of the static dielectric constant and the volume dependence of the effective ionic charge for b.c.c. lattices. Calculated values for CsCl, CsBr, CsI, and TlBr together with the simple shell model values and experimental values are listed and discussed.

  4. Crystal structure of di-methyl-formamidium bis-(tri-fluoro-methane-sulfon-yl)amide: an ionic liquid.

    Science.gov (United States)

    Cardenas, Allan Jay P; O'Hagan, Molly

    2016-09-01

    At 100 K, the title mol-ecular salt, C 3 H 8 NO + ·C 2 F 6 NO 4 S 2 - , has ortho-rhom-bic ( P 2 1 2 1 2 1 ) symmetry; the amino H atom of bis-(tri-fluoro-methane-sulfon-yl)amine (HNTf 2 ) was transferred to the basic O atom of di-methyl-formamide (DMF) when the ionic liquid components were mixed. The structure displays an O-H⋯N hydrogen bond, which links the cation to the anion, which is reinforced by a non-conventional C-H⋯O inter-action, generating an R 2 2 (7) loop. A further very weak C-H⋯O inter-action generates an [001] chain.

  5. Synthesis, crystal structure, and ionic conductivity of a new layered metal phosphate, Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sung-Chul; Kwak, Hyun-Jung [Department of Energy Systems Research, Ajou University, Suwon 16499 (Korea, Republic of); Yoo, Chung-Yul [Advanced Materials & Devices Laboratory, Korea Institute of Energy Research, Daejeon 34129 (Korea, Republic of); Yun, Hoseop [Department of Energy Systems Research, Ajou University, Suwon 16499 (Korea, Republic of); Kim, Seung-Joo, E-mail: sjookim@ajou.ac.kr [Department of Energy Systems Research, Ajou University, Suwon 16499 (Korea, Republic of)

    2016-11-15

    A new layered metal phosphate, Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}, was synthesized in the form of either a single-crystal or polycrystalline powder using the molten hydroxide flux method or a solid-state reaction, respectively. Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} crystallizes to the P2{sub 1}/n (Z=4) monoclinic space group with lattice parameters a≈4.95 Å, b≈22.06 Å, c≈8.63 Å, and β≈91.5°. The structure is composed of stacked [LiSrAl(PO{sub 4}){sub 2}] layers alternating regularly with [LiSrPO{sub 4}] layers. In the [LiSrAl(PO{sub 4}){sub 2}] sublattice, the AlO{sub 6} octahedra and PO{sub 4} tetrahedra are tilted cooperatively to form an anionic, corrugated, two-dimensional [Al(PO{sub 4}){sub 2}]{sup 3−} framework that can be regarded as a “distorted-glaserite” structure. The [LiSrPO{sub 4}] sublattice is that of a layered block containing a six-membered ring formed from alternating linkages of LiO{sub 4} and PO{sub 4} tetrahedra. The six-membered rings show a boat-type arrangement with the up(U) or down(D) pointing sequence, UUDUUD. The interspace between the two sublattices generates a two-dimensional pathway for Li{sup +} ion conduction. The impedance measurement indicated that Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} had a moderate ion conductivity (σ≈1.30×10{sup −4} S cm{sup −1} at 667 K), with an activation energy E{sub a}≈1.02 eV. - Graphical abstract: Polyhedral view of Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}. Li{sup +} ions are represented by green spheres, Sr atoms by white spheres, AlO{sub 6} groups by octahedra, and PO{sub 4} groups by tetrahedra. - Highlights: • New compound Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} is reported. • The crystal structure is investigated by single-crystal XRD analysis. • The structure is formed by the alternate stacking of two different sublattices. • Correlation between the crystal structure and ionic conductivity is discussed.

  6. Synthesis, crystal structure, and ionic conductivity of a new layered metal phosphate, Li2Sr2Al(PO4)3

    International Nuclear Information System (INIS)

    Kim, Sung-Chul; Kwak, Hyun-Jung; Yoo, Chung-Yul; Yun, Hoseop; Kim, Seung-Joo

    2016-01-01

    A new layered metal phosphate, Li 2 Sr 2 Al(PO 4 ) 3 , was synthesized in the form of either a single-crystal or polycrystalline powder using the molten hydroxide flux method or a solid-state reaction, respectively. Li 2 Sr 2 Al(PO 4 ) 3 crystallizes to the P2 1 /n (Z=4) monoclinic space group with lattice parameters a≈4.95 Å, b≈22.06 Å, c≈8.63 Å, and β≈91.5°. The structure is composed of stacked [LiSrAl(PO 4 ) 2 ] layers alternating regularly with [LiSrPO 4 ] layers. In the [LiSrAl(PO 4 ) 2 ] sublattice, the AlO 6 octahedra and PO 4 tetrahedra are tilted cooperatively to form an anionic, corrugated, two-dimensional [Al(PO 4 ) 2 ] 3− framework that can be regarded as a “distorted-glaserite” structure. The [LiSrPO 4 ] sublattice is that of a layered block containing a six-membered ring formed from alternating linkages of LiO 4 and PO 4 tetrahedra. The six-membered rings show a boat-type arrangement with the up(U) or down(D) pointing sequence, UUDUUD. The interspace between the two sublattices generates a two-dimensional pathway for Li + ion conduction. The impedance measurement indicated that Li 2 Sr 2 Al(PO 4 ) 3 had a moderate ion conductivity (σ≈1.30×10 −4 S cm −1 at 667 K), with an activation energy E a ≈1.02 eV. - Graphical abstract: Polyhedral view of Li 2 Sr 2 Al(PO 4 ) 3 . Li + ions are represented by green spheres, Sr atoms by white spheres, AlO 6 groups by octahedra, and PO 4 groups by tetrahedra. - Highlights: • New compound Li 2 Sr 2 Al(PO 4 ) 3 is reported. • The crystal structure is investigated by single-crystal XRD analysis. • The structure is formed by the alternate stacking of two different sublattices. • Correlation between the crystal structure and ionic conductivity is discussed.

  7. Theoretical Probing of Weak Anion-Cation Interactions in Certain Pyridinium-Based Ionic Liquid Ion Pairs and the Application of Molecular Electrostatic Potential in Their Ionic Crystal Density Determination: A Comparative Study Using Density Functional Approach.

    Science.gov (United States)

    Joseph, Aswathy; Thomas, Vibin Ipe; Żyła, Gaweł; Padmanabhan, A S; Mathew, Suresh

    2018-01-11

    ΔE int for all 1-butylpyridinium ion pairs (R 2 = 0.9918). The ionic crystal density values calculated by using DFT-based MESP showed only slight variations from experimentally reported values.

  8. Fullerol ionic fluids

    KAUST Repository

    Fernandes, Nikhil

    2010-01-01

    We report for the first time an ionic fluid based on hydroxylated fullerenes (fullerols). The ionic fluid was synthesized by neutralizing the fully protonated fullerol with an amine terminated polyethylene/polypropylene oxide oligomer (Jeffamine®). The ionic fluid was compared to a control synthesized by mixing the partially protonated form (sodium form) of the fullerols with the same oligomeric amine in the same ratio as in the ionic fluids (20 wt% fullerol). In the fullerol fluid the ionic bonding significantly perturbs the thermal transitions and melting/crystallization behavior of the amine. In contrast, both the normalized heat of fusion and crystallization of the amine in the control are similar to those of the neat amine consistent with a physical mixture of the fullerols/amine with minimal interactions. In addition to differences in thermal behavior, the fullerol ionic fluid exhibits a complex viscoelastic behavior intermediate between the neat Jeffamine® (liquid-like) and the control (solid-like). © 2010 The Royal Society of Chemistry.

  9. FT-IR, FT-Raman, and DFT computational studies of melaminium nitrate molecular-ionic crystal

    Science.gov (United States)

    Tanak, Hasan; Marchewka, Mariusz K.

    2013-02-01

    The experimental and theoretical vibrational spectra of melaminium nitrate were studied. The Raman and infrared (FT-IR) spectra of the melaminium nitrate and its deuterated analogue were recorded in the solid phase. Molecular geometry and vibrational frequency values of melaminium nitrate in the electronic ground state were calculated using the density functional method (B3LYP) with the 6-31++G(d,p) basis set. The calculated results show that the optimized geometry can well reproduce the crystal structure, and the theoretical vibrational frequency values show good agreement with experimental values. The NBO analysis reveals that the N-H···O and N-H···N intermolecular interactions significantly influence crystal packing in this molecule.

  10. A Study of F-center in the Ionic Crystal by Using The Quantum Dot Model Potential

    Directory of Open Access Journals (Sweden)

    Hashem Abood Kassim

    2018-02-01

    Full Text Available This work presents a study of the electronic structure of F-center in the crystal of NaCl, CsCl and fluorite structure by using quantum dot model potential. This model employs the semi-continuum method due to Simpson and specifies the F-center as a quantum dot partially confined within finite potential. The energy levels and transition energy of the F-center are calculated analytically by using this new model potential and including the effect of continuum medium due to the coulomb tail and using the strong perturbation approach

  11. Influence of ionic conductivity on in-phase and anti-phase motions of antiferroelectric liquid crystals

    International Nuclear Information System (INIS)

    Das, D.; Majumder, T.P.; Ghosh, N.K.

    2014-01-01

    The in-phase and anti-phase motions of antiferroelectric liquid crystals were changed due to the influence of charge density associated with the layer modulation modifying the elastic behaviour. The elastic constant was changed because of the coupling between charge density variation and variation of azimuthal angle (ϕ). We obtained theoretically a modified elastic constant depending on the variation of charge density in both in-phase and anti-phase motions. The theoretically elastic constant decreases with the increase of the coupling coefficient between charge density and in-phase azimuthal angle (ϕ a ). We theoretically accounted the dependence of dielectric strength for both relaxations depending on the effective elastic constant influenced by the presence of charge density and discussed the results with experimental observations

  12. Interaction of slow, highly charged ions with the surface of ionic crystals; Wechselwirkung langsamer hochgeladener Ionen mit der Oberflaeche von Ionenkristallen

    Energy Technology Data Exchange (ETDEWEB)

    Heller, Rene

    2009-08-15

    In this thesis the creation of permanent nanostructures induced by the impact of very slow (v{<=}5 x 10{sup 5} m/s) highly charged (q{<=}40) ions on the ionic crystal surfaces of CaF{sub 2} and KBr is investigated. The systematic analysis of the samples surfaces by means of atomic force microscopy supplies information on the influence of the potential as well as the kinetic projectile energy on the process of structure creation. The individual impact of highly charged ions on the KBr(001) surface can initiate the creation of mono-atomic deep pit-like structures -nanopits- with a lateral size of a few 10 nm. The volume of these pits and the corresponding number of sputtered secondary particles show a linear dependence on the projectiles potential energy. For the onset of pit formation a kinetic energy dependent threshold in the potential energy E{sup grenz}{sub pot}(E{sub kin}) could be identified. Based on the defect-mediated desorption by electrons and by including effects of defect agglomeration a consistent model for the process of pit formation was drawn. In this work the recently discovered creation of hillock-like structures by impact of highly charged ions on CaF{sub 2}(111) surfaces could be verified for lowest kinetic energies (E{sub kin}{<=}150 eV x q). For the first time the potential energy of impinging projectiles could be identified to be exclusively responsible for the creation of nanostructures. Furthermore, a shift of potential energy threshold for hillock formation was observed for very small projectile velocities. Within the framework of cooperation with the Vienna University of Technology simulations based on the inelastic thermal spike model were performed, which allowed to interlink the individual hillock formation with a local melting of the ionic lattice. The essential influence of electron emission during the interaction of the highly charged ions with the surface on the process of nanostructuring was taken into consideration by

  13. Sensitivities of ionic explosives

    Science.gov (United States)

    Politzer, Peter; Lane, Pat; Murray, Jane S.

    2017-03-01

    We have investigated the relevance for ionic explosive sensitivity of three factors that have been demonstrated to be related to the sensitivities of molecular explosives. These are (1) the maximum available heat of detonation, (2) the amount of free space per molecule (or per formula unit) in the crystal lattice and (3) specific features of the electrostatic potential on the molecular or ionic surface. We find that for ionic explosives, just as for molecular ones, there is an overall tendency for impact sensitivity to increase as the maximum detonation heat release is greater. This means that the usual emphasis upon designing explosives with large heats of detonation needs to be tempered somewhat. We also show that a moderate detonation heat release does not preclude a high level of detonation performance for ionic explosives, as was already demonstrated for molecular ones. Relating the free space per formula unit to sensitivity may require a modified procedure for ionic explosives; this will continue to be investigated. Finally, an encouraging start has been made in linking impact sensitivities to the electrostatic potentials on ionic surfaces, although limited so far to ammonium salts.

  14. crystal

    Science.gov (United States)

    Yu, Yi; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin; Sun, Shijia; Wang, Guofu

    2014-07-01

    A Nd3+:Na2La4(WO4)7 crystal with dimensions of ϕ 17 × 30 mm3 was grown by the Czochralski method. The thermal expansion coefficients of Nd3+:Na2La4(WO4)7 crystal are 1.32 × 10-5 K-1 along c-axis and 1.23 × 10-5 K-1 along a-axis, respectively. The spectroscopic characteristics of Nd3+:Na2La4(WO4)7 crystal were investigated. The Judd-Ofelt theory was applied to calculate the spectral parameters. The absorption cross sections at 805 nm are 2.17 × 10-20 cm2 with a full width at half maximum (FWHM) of 15 nm for π-polarization, and 2.29 × 10-20 cm2 with a FWHM of 14 nm for σ-polarization. The emission cross sections are 3.19 × 10-20 cm2 for σ-polarization and 2.67 × 10-20 cm2 for π-polarization at 1,064 nm. The fluorescence quantum efficiency is 67 %. The quasi-cw laser of Nd3+:Na2La4(WO4)7 crystal was performed. The maximum output power is 80 mW. The slope efficiency is 7.12 %. The results suggest Nd3+:Na2La4(WO4)7 crystal as a promising laser crystal fit for laser diode pumping.

  15. Pressure-induced instability of magnetic order in Kondo-lattice system. Neutron diffraction study of the pseudo-binary alloy system Ce(Ru sub 0 sub . sub 9 sub 0 Rh sub 0 sub . sub 1 sub 0) sub 2 (Si sub 1 sub - sub y Ge sub y) sub 2

    CERN Document Server

    Watanabe, K; Kanadani, C; Taniguchi, T; Kawarazaki, S; Uwatoko, Y; Kadowaki, H

    2003-01-01

    Neutron diffraction experiments have been carried out to study the nature of the magnetic order of the pseudo-binary alloy system Ce(Ru sub 0 sub . sub 9 sub 0 Rh sub 0 sub . sub 1 sub 0) sub 2 (Si sub 1 sub - sub y Ge sub y) sub 2. Response of the ordered atomic magnetic moment, mu, the transition temperature, T sub N , and the magnitude of the magnetic modulation vector, q, to the chemical pressure and also to the applied hydrostatic pressure, P, were examined at low temperatures. When y changes, all of mu, T sub N and q show a sudden alteration of the manner of the y-dependence at around y - 0.08. The P-dependence of q shows quite different features for different y's of 0.0, 0.2 and 0.25. On the basis of these observations the possibility of a pressure-induced alternation of the magnetic regime of the order is discussed. (author)

  16. Functional ionic liquids

    International Nuclear Information System (INIS)

    Baecker, Tobias

    2012-01-01

    In the thesis at hand, new functional ionic liquids were investigated. Main focus was attended to their structure property relations and the structural features leading to a decrease of the melting point. New compounds of the type 1-butyl-3-methylimidazolium tris(N,Ndialkyldithiocarbamato) uranylate with variously substituated dithiocarbamato ligands were synthesized and characterized. Ligands with asymmetrical substitution pattern proved to be most suitable for ionic liquid formation. The single-crystal X-ray structures revealed the interactions in the solid state. Here, the first spectroscopic investigation of the U-S bond in sulfur donated uranyl complexes, up to now only observed in single-crystal X-ray structures, is presented, and the participation of the uranium f-orbitals is shown by theoretical calculations. Electrochemical investigations showed the accessibility of the respective U V O 2 + compounds. As well, ionic liquids with [FeCl 4 ] - and [Cl 3 FeOFeCl 3 ] 2- as anion were synthesized. Both of these anions contain high-spin Fe(III) centres in distorted tetrahedral environment, but exhibit different magnetic behaviour. The tetrachloroferrates show the usual paramagnetism, the m-oxobis(trichloroferrate) exhibits unexpectedly strong antiferromagnetic coupling, as was observed by NMR experiments and susceptibility measurements. To investigate structure-property relations in functionalized ionic liquids, a set of protic, primary alkylammonium and aprotic, quarternary trimethylalkylammonium based ionic liquids was synthesized, and characterized. The length of the alkyl chain was systematically varied, and all compounds were synthesized with and without hydroxyl group, as well as formate and bis(triflyl)amide salts, aiming at getting insight into the influence of the different structure parts on the respective ionic liquid's properties.

  17. Learning Ionic

    CERN Document Server

    Ravulavaru, Arvind

    2015-01-01

    This book is intended for those who want to learn how to build hybrid mobile applications using Ionic. It is also ideal for people who want to explore theming for Ionic apps. Prior knowledge of AngularJS is essential to complete this book successfully.

  18. Synthesis, Characterization and Study of Liquid Crystals Based on the Ionic Association of the Keplerate Anion [Mo132O372(CH3COO30(H2O72]42− and Imidazolium Cations

    Directory of Open Access Journals (Sweden)

    Nancy Watfa

    2015-06-01

    Full Text Available A series of eight new materials based on the ionic association between 1-methyl-3-alkylimidazolium cations and the nanometric anionic Keplerate [Mo132O372(CH3COO30(H2O72]42− has been prepared and characterized in the solid state. The liquid crystal properties of these materials were investigated by the combination of Polarized Optical Microscopy, Differential Scanning Calorimetry and Small-angle X-Ray Diffraction showing a self-organization in lamellar (L mesophases for the major part of them. From the interlamellar spacing h and the intercluster distance ahex, we demonstrated that the cations are not randomly organized around the anionic cluster and that the alkyl chains of the cations are certainly folded, which limits the van der Waals interactions between the cations within the liquid crystal phase and therefore harms the quality of the mesophases.

  19. Thermoelectric properties of p-type pseudo-binary (Ag0.365Sb0.558Te) x -(Bi0.5Sb1.5Te3)1-x (x=0-1.0) alloys prepared by spark plasma sintering

    International Nuclear Information System (INIS)

    Cui, J.L.; Xue, H.F.; Xiu, W.J.; Jiang, L.; Ying, P.Z.

    2006-01-01

    In this paper, pseudo-binary (Ag 0.365 Sb 0.558 Te) x -(Bi 0.5 Sb 1.5 Te 3 ) 1- x (x=0-1.0) alloys were prepared using spark plasma sintering technique, and the composition-dependent thermoelectric properties were evaluated. Electrical conductivities range from 7.9x10 4 to 15.6x10 4 Ω -1 m -1 at temperatures of 507 and 318 K, respectively, being about 3.0 and 8.5 times those of Bi 0.5 Sb 1.5 Te 3 alloy at the corresponding temperatures. The optimal dimensionless figure of merit (ZT) of the sample with molar fraction x=0.025 reaches 1.1 at 478 K, whereas that of the ternary Bi 0.5 Sb 1.5 Te 3 alloy is 0.58 near room temperature. The results also reveal that a direct introduction of Ag 0.365 Sb 0.558 Te in the Bi-Sb-Te system is much more effective to the property improvement than naturally precipitated Ag 0.365 Sb 0.558 Te in the Ag-doped Ag-Bi-Sb-Te system. - Graphical abstract: The temperature dependence of the dimensionless thermoelectric figure of merit ZT for different (Ag 0.365 Sb 0.558 Te) x -(Bi 0.5 Sb 1.5 Te 3 ) 1- x (x=0-1.0) alloys prepared by spark plasma sintering

  20. Morphological studies of polymer dispersed liquid crystal materials

    International Nuclear Information System (INIS)

    Han, Jin-Woo

    2006-01-01

    In this work, we have studied the morphologies of polymer dispersed liquid crystals (PDLCs) based on E7/NOA61. Scanning electron microscope studies show that the PDLC morphology is strongly affected by the LC concentration and the cure temperature. A typical PDLC morphology with isolated LC droplets dispersed in a polymer matrix is only observed at low LC compositions and at low cure temperatures. Increasing either the LC composition or the cure temperature results in a polymer ball morphology, in which LCs exist in irregularly shaped voids in the polymer network structure. It is shown that the transition between these two morphologies can be qualitatively explained using a pseudo-binary phase diagram.

  1. Thermally-induced crystallization behaviour of 80GeSe2–20Ga2Se3 glass as probed by combined X-ray diffraction and PAL spectroscopy

    International Nuclear Information System (INIS)

    Shpotyuk, O.; Calvez, L.; Petracovschi, E.; Klym, H.; Ingram, A.; Demchenko, P.

    2014-01-01

    Highlights: • Chalcogenide Ge–Ga–Se glasses were annealed at 380 °C for 10, 25 and 50 h. • Crystallization of glasses during annealing indicates formation of crystals. • Structural changes are described by two-state positron trapping model. • Modification leading to nucleation and fragmentation of free volume of glasses. • The Ge–Ga–Se systems cannot be classified as typical pseudo-binary system. -- Abstract: Crystallization behaviour of 80GeSe 2 –20Ga 2 Se 3 glass caused by thermal annealing at 380 °C for 10, 25 and 50 h are studied using X-ray diffraction and positron annihilation lifetime spectroscopy. It is shown that the structural changes caused by crystallization can be adequately described by positron trapping modes determined within two-state model. The observed changes in defect-related component in the fit of experimental positron lifetime spectra for annealed glasses testifies in a favour of structural fragmentation of larger free volume entities into smaller ones with preceding nucleation in the initial stage of thermal annealing. Because of strong deviation in defect-free bulk positron lifetime from corresponding additive values proper to boundary constituents, the studied glasses cannot be considered as typical representatives of pseudo-binary cut-section

  2. Thermally-induced crystallization behaviour of 80GeSe{sub 2}–20Ga{sub 2}Se{sub 3} glass as probed by combined X-ray diffraction and PAL spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O., E-mail: shpotyuk@novas.lviv.ua [Scientific Research Company “Carat”, 202, Stryjska str., Lviv 79031 (Ukraine); Institute of Physics of Jan Dlugosz University, 13/15, al. Armii Krajowej, Czestochowa 42201 (Poland); Calvez, L.; Petracovschi, E. [Equipe Verres et Céramiques, UMR-CNRS 6226, Institute des Sciences chimiques de Rennes, Université de Rennes 1, 35042 Rennes Cedex (France); Klym, H. [Lviv polytechnic National University, 12 Bandera str., Lviv 79013 (Ukraine); Ingram, A. [Physics Faculty of Opole University of Technology, 75, Ozimska str., Opole 45370 (Poland); Demchenko, P. [Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv 79005 (Ukraine)

    2014-01-05

    Highlights: • Chalcogenide Ge–Ga–Se glasses were annealed at 380 °C for 10, 25 and 50 h. • Crystallization of glasses during annealing indicates formation of crystals. • Structural changes are described by two-state positron trapping model. • Modification leading to nucleation and fragmentation of free volume of glasses. • The Ge–Ga–Se systems cannot be classified as typical pseudo-binary system. -- Abstract: Crystallization behaviour of 80GeSe{sub 2}–20Ga{sub 2}Se{sub 3} glass caused by thermal annealing at 380 °C for 10, 25 and 50 h are studied using X-ray diffraction and positron annihilation lifetime spectroscopy. It is shown that the structural changes caused by crystallization can be adequately described by positron trapping modes determined within two-state model. The observed changes in defect-related component in the fit of experimental positron lifetime spectra for annealed glasses testifies in a favour of structural fragmentation of larger free volume entities into smaller ones with preceding nucleation in the initial stage of thermal annealing. Because of strong deviation in defect-free bulk positron lifetime from corresponding additive values proper to boundary constituents, the studied glasses cannot be considered as typical representatives of pseudo-binary cut-section.

  3. Nanoparticles in ionic liquids: interactions and organization.

    Science.gov (United States)

    He, Zhiqi; Alexandridis, Paschalis

    2015-07-28

    Ionic liquids (ILs), defined as low-melting organic salts, are a novel class of compounds with unique properties and a combinatorially great chemical diversity. Ionic liquids are utilized as synthesis and dispersion media for nanoparticles as well as for surface functionalization. Ionic liquid and nanoparticle hybrid systems are governed by a combined effect of several intermolecular interactions between their constituents. For each interaction, including van der Waals, electrostatic, structural, solvophobic, steric, and hydrogen bonding, the characterization and quantitative calculation methods together with factors affecting these interactions are reviewed here. Various self-organized structures based on nanoparticles in ionic liquids are generated as a result of a balance of these intermolecular interactions. These structures, including colloidal glasses and gels, lyotropic liquid crystals, nanoparticle-stabilized ionic liquid-containing emulsions, ionic liquid surface-functionalized nanoparticles, and nanoscale ionic materials, possess properties of both ionic liquids and nanoparticles, which render them useful as novel materials especially in electrochemical and catalysis applications. This review of the interactions within nanoparticle dispersions in ionic liquids and of the structure of nanoparticle and ionic liquid hybrids provides guidance on the rational design of novel ionic liquid-based materials, enabling applications in broad areas.

  4. Synthesis and single-crystal structure of the pseudo-ternary compounds LiA[N(CN){sub 2}]{sub 2} (A = K or Rb)

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.

    2016-04-01

    Crystals of LiA[N(CN){sub 2}]{sub 2} were obtained from the reaction of LiCl and ACl (A = K or Rb) with Ag[N(CN){sub 2}] in water and subsequent evaporation of the filtered solution at 80 C under normal atmospheric conditions. Crystals of the title compound form thin rectangular plates that are transparent, colorless, and very fragile. Single-crystal structure analyses have shown that both compounds are isotypic and adopt the tetragonal space group I4/mcm (no. 140, Z = 4) with the cell parameters a = 701.53(12) and c = 1413.7(5) pm for LiK[N(CN){sub 2}]{sub 2} and a = 730.34(10) and c = 1414.4(4) pm for LiRb[N(CN){sub 2}]{sub 2}. The crystal structure is described and compared to that of the pseudo-binary alkali metal dicyanamides.

  5. The centroid shift of the 5d levels of Ce3+ with respect to the 4f levels in ionic crystals, a theoretical investigation

    International Nuclear Information System (INIS)

    Andriessen, J.; Dorenbos, P.; Eijk, C.W.E van

    2002-01-01

    The centroid shifts of the 5d level of Ce 3+ in BaF 2 , LaAlO 3 and LaCl 3 have been calculated using the ionic cluster approach. By applying configuration interaction as extension of the basic HF-LCAO approach the dynamical polarization contribution to the centroid shift was calculated. This was found to be only successful if basis sets are used optimized for polarization of the anions

  6. Ionic polarization

    International Nuclear Information System (INIS)

    Mahan, G.D.

    1992-01-01

    Ferroelectricity occurs in many different kinds of materials. Many of the technologically important solids, which are ferroelectric, can be classified as ionic. Any microscopic theory of ferroelectricity must contain a description of local polarization forces. We have collaborated in the development of a theory of ionic polarization which is quite successful. Its basic assumption is that the polarization is derived from the properties of the individual ions. We have applied this theory successfully to diverse subjects as linear and nonlinear optical response, phonon dispersion, and piezoelectricity. We have developed numerical methods using the local Density approximation to calculate the multipole polarizabilities of ions when subject to various fields. We have also developed methods of calculating the nonlinear hyperpolarizability, and showed that it can be used to explain light scattering experiments. This paper elaborates on this polarization theory

  7. Oxygen vacancies effect on ionic conductivity and relaxation phenomenon in undoped and Mn doped PZN-4.5PT single crystals

    International Nuclear Information System (INIS)

    Kobor, Diouma; Guiffard, Benoit; Lebrun, Laurent; Hajjaji, Abdelowahed; Guyomar, Daniel

    2007-01-01

    AC-impedance spectroscopic studies in the temperature range 550-700 deg. C are carried out on undoped and Mn doped PZN-PT single crystals grown by the flux method. The variation of dielectric permittivity with temperature at different frequencies shows normal ferroelectric and relaxor-like dependence for the doped and undoped crystals, respectively. Temperature-dependent spectroscopic modulus plots reveal a much broader peak for PZN-4.5PT + 1%Mn compared with that for PZN-4.5PT, which is different from the dielectric behaviour of the doped one. Complex modulus imaginary part (Z-prime) versus real part (Z') plots fit well with one semicircle thus indicating only bulk contribution. The relaxation observed in the spectroscopic plots was assigned to mobile relaxor species such as oxygen vacancies and ions. No such relaxation could be observed for PZN-4.5PT + 1%Mn in the dielectric measurements. For both undoped and Mn doped crystals, the conduction behaviour was modelled by the universal dynamic response equation and by the NTC (negative temperature coefficient) materials resistance-temperature behaviour. A large difference in behaviour was found between the two single crystals such as the thermistor coefficients and the activation energy values, which could explain the increase in the thermal stability observed in the Mn doped PZN-PT single crystals by many studies

  8. Ionic conductivity in irradiated KCL

    International Nuclear Information System (INIS)

    Vignolo Rubio, J.

    1979-01-01

    The ionic conductivity of X and gamma irradiated KCl single crystals has been studied between room temperature and 600 deg C. The radiation induced damage resulting in a decrease of the conductivity heals by thermal annealing in two steps which are at about 350 and 550 deg C respectively. It has been found that the radiation induced colour centres are not involved in the observed decrease of the ionic conductivity. Howewer, it has been observed that the effects of quenching and plastic deformation on the conductivity of the samples are very similar to the effect induced by irradiation. It is suggested that small radiation induced dislocation loops might cause the ionic conductivity decrease observed in irradiated samples. (auth)

  9. Ionic conductivity in irradiated KCL

    International Nuclear Information System (INIS)

    Vignolo Rubio, J.

    1979-01-01

    The ionic conductivity of X and gamma irradiated KCL single crystals has been studied between room temperature and 600 degree centigree. the radiation induced damage resulting in a decrease of the conductivity heals by thermal annealing in two steps which are at about 350 and 550 degree centigree respectively. It has been found that the radiation induced colour centres are not involved in the observed decrease of the ionic conductivity. However. It has been observed that the effects of quenching and plastic deformation on the conductivity of the samples are very similar to the effect induced by irradiation. It is suggested that, samples radiation induced dislocation loops might cause the ionic conductivity decrease observed in irradiated samples. (Author)

  10. Synthesis, crystal structure, and ionic conductivity of novel Ruddlesden-Popper related phases, Li4Sr3Nb5.77Fe0.23O19.77 and Li4Sr3Nb6O20

    International Nuclear Information System (INIS)

    Bhuvanesh, N.S.P.; Crosnier-Lopez, M.P.; Bohnke, O.; Emery, J.; Fourquet, J.L.

    1999-01-01

    The authors have synthesized two new lithium-containing oxides which are related to Ruddlesden-Popper phases, Li 4 Sr 3 Nb 5.77 Fe 0.23 O 19.77 and Li 4 Sr 3 Nb 6 O 20 , with partial occupancy of the 12-coordinated sites by Sr, for the first time by direct solid-state reaction. While the single crystal and powder X-ray diffraction data indicate that these oxides crystallize in tetragonal cells (space group I4/mmm; a = 3.9585(2) angstrom, c = 25.915(3) angstrom and a = 3.953(2) angstrom, c = 26.041(5) angstrom for the respective oxides), the electron diffraction of some of the crystallites shows supercell reflections with a ∼ √2a p , c ∼ 25.9 angstrom, probably indicating a twisting of the NbO 6 octahedra in the ab-plane. Although, these oxides show no significant lithium ionic conduction at room temperature, they show distinct conductivity values at elevated temperatures

  11. Relation between the swelling and the disordering in ionic crystals irradiated by fast heavy ions; Relation entre le gonflement et la creation de defauts dans les cristaux ioniques irradies par des ions lourds rapides

    Energy Technology Data Exchange (ETDEWEB)

    Boccanfuso, M

    2001-12-01

    When fast heavy ions penetrate in matter, they slow down essentially by depositing their energy on the electrons. This can lead to strong electronic excitation densities in the solid and then to structural modifications. In this work, calcium fluoride (CaF{sub 2}) was used to look further into the damage induced by irradiation with fast heavy ions in ionic crystals. Four techniques were mainly employed to characterise this damage. These techniques of analysis are wide angle X-ray diffraction, surface profilometry, Rutherford backscattering spectrometry and UV-visible optical absorption spectroscopy. The results of this work show that CaF{sub 2} answers in a multiple way to the electronic excitations. For stopping powers higher than approximately 5 keV/nm, a polygonization seems to occur. This causes a structural disorder, a swelling of 0.27 % and the formation of fractures in the material. A second damage mechanism is caused above approximately 13 keV/nm and results in a loss of the initial crystalline structure. However, optical centres appear whatever the ion stopping power, which indicates that these defects cannot be the cause of the two above mentioned damage mechanisms. According to a thermal spike model, the two thresholds can be linked to melting and sublimation energy of the material, respectively. (author)

  12. Thermal annealing and ionic abrasion in ZnTe

    International Nuclear Information System (INIS)

    Bensahel, D.

    1975-01-01

    Thermal annealing of the ZnTe crystal is studied first in order to obtain information on the aspect of the penetration profile. Ionic abrasion is then investigated to find out whether it produces the same effects as ionic implantation, especially for luminescence [fr

  13. High pressure studies of ionic conductivity in solids

    International Nuclear Information System (INIS)

    Samara, G.A.

    1979-01-01

    The pressure dependence of the ionic conductivity provides information about the volume relaxation associated with the formation of lattice defects as well as with the diffusive motion of these defects, and thereby helps elucidate the conduction process. Pressure results on a variety of crystals will be discussed with emphasis on recent results on crystals with large lattice polarizabilities and soft phonon modes. Pressure is shown to be an important--sometimes essential, variable in the study of ionic transport processes

  14. Effect of mono-, di- and tri-ethanolammonium tetrafluoroborate protonic ionic liquids on vapour liquid equilibria of ethanol aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Shen Chong [State Key Laboratory of Chemical Resource Engineering and College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Ma Xiaoyan [College of Science, Beijing University of Chemical Technology, Beijing 100029 (China); Lu Yingzhou [State Key Laboratory of Chemical Resource Engineering and College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Li Chunxi, E-mail: Licx@mail.buct.edu.c [State Key Laboratory of Chemical Resource Engineering and College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029 (China)

    2011-03-15

    Vapour pressures were measured using a quasi-static ebulliometer for the binary mixture of (water + ethanol) containing one of three protonic ionic liquids (PIL), namely, mono-, di- or tri-ethanolammonium tetrafluoroborate, over the temperature range of (318.24 to 356.58) K at fixed PIL content of 0.30 in mass fraction. The vapour pressure data of the PIL-containing ternary systems were correlated using the NRTL equation with an overall root mean square deviation (RMSD) of 0.0092. The regressed NRTL parameters were used to predict the isobaric vapour liquid equilibria (VLE) for ternary systems (water + ethanol + PIL) at varying mass fraction of PIL and atmospheric pressure (101.3 kPa). It is shown that the effect of PILs on the VLE of the (water + ethanol) mixture follows the order: [HTEA][BF{sub 4}] > [HDEA][BF{sub 4}] > [HMEA][BF{sub 4}]. In addition, the relative volatilities of ethanol to water for pseudo-binary systems (water + ethanol + PIL) were calculated. The results indicate that the PILs studied can enhance the relative volatility of ethanol to water and even break the azeotropic behaviour of ethanol aqueous solution when PIL content is increased to a specified content.

  15. Ionic conduction in the solid state

    Indian Academy of Sciences (India)

    Unknown

    Li+, its lower weight, ease of handling and its poten- tial use in high energy density batteries. Li2SiO4 is one of the .... that influence the ionic conductivity of a crystal the activation energy is of utmost importance since the .... fraction techniques are commonly employed to elu- cidate the structure features of superionic solids.

  16. Acidic Ionic Liquids.

    Science.gov (United States)

    Amarasekara, Ananda S

    2016-05-25

    Ionic liquid with acidic properties is an important branch in the wide ionic liquid field and the aim of this article is to cover all aspects of these acidic ionic liquids, especially focusing on the developments in the last four years. The structural diversity and synthesis of acidic ionic liquids are discussed in the introduction sections of this review. In addition, an unambiguous classification system for various types of acidic ionic liquids is presented in the introduction. The physical properties including acidity, thermo-physical properties, ionic conductivity, spectroscopy, and computational studies on acidic ionic liquids are covered in the next sections. The final section provides a comprehensive review on applications of acidic ionic liquids in a wide array of fields including catalysis, CO2 fixation, ionogel, electrolyte, fuel-cell, membrane, biomass processing, biodiesel synthesis, desulfurization of gasoline/diesel, metal processing, and metal electrodeposition.

  17. Fullerol ionic fluids

    KAUST Repository

    Fernandes, Nikhil; Dallas, Panagiotis; Rodriguez, Robert; Bourlinos, Athanasios B.; Georgakilas, Vasilios; Giannelis, Emmanuel P.

    2010-01-01

    ®). The ionic fluid was compared to a control synthesized by mixing the partially protonated form (sodium form) of the fullerols with the same oligomeric amine in the same ratio as in the ionic fluids (20 wt% fullerol). In the fullerol fluid the ionic bonding

  18. Ionic conduction in polyether-based lithium arylfluorosulfonimide ionic melt electrolytes

    International Nuclear Information System (INIS)

    Herath, Mahesha B.; Creager, Stephen E.; Rajagopal, Rama V.; Geiculescu, Olt E.; DesMarteau, Darryl D.

    2009-01-01

    We report synthesis, characterization and ion transport in polyether-based ionic melt electrolytes consisting of Li salts of low-basicity anions covalently attached to polyether oligomers. Purity of the materials was investigated by HPLC analysis and electrospray ionization mass spectrometry. The highest ionic conductivity of 7.1 x 10 -6 S/cm at 30 deg. C was obtained for the sample consisting of a lithium salt of an arylfluorosulfonimide anion attached to a polyether oligomer with an ethyleneoxide (EO) to lithium ratio of 12. The conductivity order of various ionic melts having different polyether chain lengths suggests that at higher EO:Li ratios the conductivity of the electrolytes at room temperature is determined in part by the amount of crystallization of the polyether portion of the ionic melt.

  19. Bridgman growth and characterization of bulk single crystals of Ga1-xInxSb for thermophotovoltaic applications

    International Nuclear Information System (INIS)

    Boyer, J.R.; Haines, W.T.

    1997-12-01

    Thermophotovoltaic generation of electricity is attracting renewed attention due to recent advances in low bandgap (0.5--0.7 eV) III-V semiconductors. The use of mixed pseudo-binary compounds allows for the tailoring of the lattice parameter and the bandgap of the material. Conventional deposition techniques (i.e., epitaxy) for producing such ternary or quaternary materials are typically slow and expensive. Production of bulk single crystals of ternary materials, for example Ga 1-x In x Sb, is expected to dramatically reduce such material costs. Bulk single crystals of Ga 1-x In x Sb have been prepared using a Bridgman technique in a two-zone furnace. These crystals are 19 mm in diameter by approximately 50 mm long and were produced using seeds of the same diameter. The effects of growth rate and starting materials on the composition and quality of these crystals will be discussed and compared with other attempts to produce single crystals of this material

  20. Nanoscale Ionic Liquids

    Science.gov (United States)

    2006-11-01

    Technical Report 11 December 2005 - 30 November 2006 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Nanoscale Ionic Liquids 5b. GRANT NUMBER FA9550-06-1-0012...Title: Nanoscale Ionic Liquids Principal Investigator: Emmanuel P. Giannelis Address: Materials Science and Engineering, Bard Hall, Cornell University...based fluids exhibit high ionic conductivity. The NFs are typically synthesized by grafting a charged, oligomeric corona onto the nanoparticle cores

  1. Functional ionic liquids; Funktionelle ionische Fluessigkeiten

    Energy Technology Data Exchange (ETDEWEB)

    Baecker, Tobias

    2012-07-01

    In the thesis at hand, new functional ionic liquids were investigated. Main focus was attended to their structure property relations and the structural features leading to a decrease of the melting point. New compounds of the type 1-butyl-3-methylimidazolium tris(N,Ndialkyldithiocarbamato) uranylate with variously substituated dithiocarbamato ligands were synthesized and characterized. Ligands with asymmetrical substitution pattern proved to be most suitable for ionic liquid formation. The single-crystal X-ray structures revealed the interactions in the solid state. Here, the first spectroscopic investigation of the U-S bond in sulfur donated uranyl complexes, up to now only observed in single-crystal X-ray structures, is presented, and the participation of the uranium f-orbitals is shown by theoretical calculations. Electrochemical investigations showed the accessibility of the respective U{sup V}O{sub 2}{sup +} compounds. As well, ionic liquids with [FeCl{sub 4}]{sup -} and [Cl{sub 3}FeOFeCl{sub 3}]{sup 2-} as anion were synthesized. Both of these anions contain high-spin Fe(III) centres in distorted tetrahedral environment, but exhibit different magnetic behaviour. The tetrachloroferrates show the usual paramagnetism, the m-oxobis(trichloroferrate) exhibits unexpectedly strong antiferromagnetic coupling, as was observed by NMR experiments and susceptibility measurements. To investigate structure-property relations in functionalized ionic liquids, a set of protic, primary alkylammonium and aprotic, quarternary trimethylalkylammonium based ionic liquids was synthesized, and characterized. The length of the alkyl chain was systematically varied, and all compounds were synthesized with and without hydroxyl group, as well as formate and bis(triflyl)amide salts, aiming at getting insight into the influence of the different structure parts on the respective ionic liquid's properties.

  2. Microscopic properties of ionic liquid/organic semiconductor interfaces revealed by molecular dynamics simulations.

    Science.gov (United States)

    Yokota, Yasuyuki; Miyamoto, Hiroo; Imanishi, Akihito; Takeya, Jun; Inagaki, Kouji; Morikawa, Yoshitada; Fukui, Ken-Ichi

    2018-05-09

    Electric double-layer transistors based on ionic liquid/organic semiconductor interfaces have been extensively studied during the past decade because of their high carrier densities at low operation voltages. Microscopic structures and the dynamics of ionic liquids likely determine the device performance; however, knowledge of these is limited by a lack of appropriate experimental tools. In this study, we investigated ionic liquid/organic semiconductor interfaces using molecular dynamics to reveal the microscopic properties of ionic liquids. The organic semiconductors include pentacene, rubrene, fullerene, and 7,7,8,8-tetracyanoquinodimethane (TCNQ). While ionic liquids close to the substrate always form the specific layered structures, the surface properties of organic semiconductors drastically alter the ionic dynamics. Ionic liquids at the fullerene interface behave as a two-dimensional ionic crystal because of the energy gain derived from the favorable electrostatic interaction on the corrugated periodic substrate.

  3. Synthesis, growth, and studies (crystal chemistry, magnetic chemistry) of actinide-based intermetallic compounds and alloys with a 1.1.1 stoichiometry

    International Nuclear Information System (INIS)

    Kergadallan, Yann

    1993-01-01

    The first part of this research thesis reports the study of the synthesis and reactivity of intermetallic compounds with a 1.1.1 stoichiometry. It presents the thermal properties of 1.1.1 compounds: general presentation of physical transitions, and of solid solutions and formation heat, application to actinides (reactivity analysis from phase diagrams, techniques of crystal synthesis and crystal growth. It describes experimental techniques: synthesis, determination of fusion temperature by dilatometry, methods used for crystal growth, characterisation techniques (metallography, X ray diffraction on powders, dilatometry). It discusses the obtained results in terms of characterisation of synthesised samples, of crystal growth, and of measurements of fusion temperature. The second part addresses crystal chemistry studies: structure of compounds with a 1.1.1 stoichiometry (Laves structures, Zr, Ti and Pu compounds), techniques of analysis by X-ray diffraction (on powders and on single crystals), result interpretation (UNiX compounds, AnTAl compounds with T being a metal from group VIII, AnTGa compounds, AnNiGe compounds, distance comparison, structure modifications under pressure). The third part concerns physical issues. The author addresses the following topics: physical properties of intermetallic 1.1.1 compounds (magnetism of yttrium phases, behaviour of uranium-based Laves phases, analysis of pseudo-binary diagrams, physical characteristics of uranium-based 1.1.1 compounds, predictions of physical measurements), analysis techniques (Moessbauer spectroscopy, SQUID for Superconducting Quantum Interference Device), and result interpretation

  4. Ionic liquids as electrolytes

    International Nuclear Information System (INIS)

    Galinski, Maciej; Lewandowski, Andrzej; Stepniak, Izabela

    2006-01-01

    Salts having a low melting point are liquid at room temperature, or even below, and form a new class of liquids usually called room temperature ionic liquids (RTIL). Information about RTILs can be found in the literature with such key words as: room temperature molten salt, low-temperature molten salt, ambient-temperature molten salt, liquid organic salt or simply ionic liquid. Their physicochemical properties are the same as high temperature ionic liquids, but the practical aspects of their maintenance or handling are different enough to merit a distinction. The class of ionic liquids, based on tetraalkylammonium cation and chloroaluminate anion, has been extensively studied since late 1970s of the XX century, following the works of Osteryoung. Systematic research on the application of chloroaluminate ionic liquids as solvents was performed in 1980s. However, ionic liquids based on aluminium halides are moisture sensitive. During the last decade an increasing number of new ionic liquids have been prepared and used as solvents. The general aim of this paper was to review the physical and chemical properties of RTILs from the point of view of their possible application as electrolytes in electrochemical processes and devices. The following points are discussed: melting and freezing, conductivity, viscosity, temperature dependence of conductivity, transport and transference numbers, electrochemical stability, possible application in aluminium electroplating, lithium batteries and in electrochemical capacitors

  5. Ionic Liquids in Tribology

    Directory of Open Access Journals (Sweden)

    Ichiro Minami

    2009-06-01

    Full Text Available Current research on room-temperature ionic liquids as lubricants is described. Ionic liquids possess excellent properties such as non-volatility, non-flammability, and thermo-oxidative stability. The potential use of ionic liquids as lubricants was first proposed in 2001 and approximately 70 articles pertaining to fundamental research on ionic liquids have been published through May 2009. A large majority of the cations examined in this area are derived from 1,3-dialkylimidazolium, with a higher alkyl group on the imidazolium cation being beneficial for good lubrication, while it reduces the thermo-oxidative stability. Hydrophobic anions provide both good lubricity and significant thermo-oxidative stability. The anions decompose through a tribochemical reaction to generate metal fluoride on the rubbed surface. Additive technology to improve lubricity is also explained. An introduction to tribology as an interdisciplinary field of lubrication is also provided.

  6. Ionic liquids in tribology.

    Science.gov (United States)

    Minami, Ichiro

    2009-06-24

    Current research on room-temperature ionic liquids as lubricants is described. Ionic liquids possess excellent properties such as non-volatility, non-flammability, and thermo-oxidative stability. The potential use of ionic liquids as lubricants was first proposed in 2001 and approximately 70 articles pertaining to fundamental research on ionic liquids have been published through May 2009. A large majority of the cations examined in this area are derived from 1,3-dialkylimidazolium, with a higher alkyl group on the imidazolium cation being beneficial for good lubrication, while it reduces the thermo-oxidative stability. Hydrophobic anions provide both good lubricity and significant thermo-oxidative stability. The anions decompose through a tribochemical reaction to generate metal fluoride on the rubbed surface. Additive technology to improve lubricity is also explained. An introduction to tribology as an interdisciplinary field of lubrication is also provided.

  7. Photophysics of ionic biochromophores

    CERN Document Server

    Brøndsted Nielsen, Steen

    2014-01-01

    This concise guide to studying ionic biochromophores features the first integrated overview of the photophysics of differing classes of biomolecules, from single amino acids to DNA. It includes an appraisal of the latest theories and experimental techniques.

  8. Effect of alkanolammonium formates ionic liquids on vapour liquid equilibria of binary systems containing water, methanol, and ethanol

    International Nuclear Information System (INIS)

    Li Xuemei; Shen Chong; Li Chunxi

    2012-01-01

    Highlights ► Vapour pressures for six ternary systems containing an IL were measured. ► Components studied were water, ethanol, methanol, and alkanolammonium formates. ► The isobaric VLE were predicted using the fitted binary NRTL parameters. ► The ILs studied can generate a promising salt effect on VLE of azeotrope. ► [HMEA][HCOO] might be used as a potential entrainer in extractive distillation. - Abstract: Vapour pressures were measured using a quasi-static ebulliometer for the pseudo-binary mixtures of (water + ethanol), (water + methanol), and (methanol + ethanol) containing an alkanolammonium-based ionic liquid (IL), namely, mono-ethanolammonium formate ([HMEA][HCOO]) and di-ethanolammonium formate ([HDEA][HCOO]), respectively, with fixed IL mass fraction of 0.30 and over the temperature ranges of (292.12 to 371.13) K. The vapour pressures of the IL-containing ternary systems were favourably correlated using the NRTL model with an overall average absolute relative deviation (AARD) of 0.0082. Further, the salt effects of [HMEA][HCOO] and [HDEA][HCOO] on isobaric vapour liquid equilibria (VLE) of azeotrope and close boiling mixture, especially for the mixtures of (water + ethanol) and (methanol + ethanol), were investigated and compared with other ILs in terms of the x′–y phase diagrams predicted with the binary NRTL parameters. It is demonstrated that the relative volatilities of ethanol to water and ethanol to methanol are enhanced, and [HMEA][HCOO] might be used as a promising entrainer for the efficient separation of ethanol aqueous solution by special rectification.

  9. Lewis Acidic Ionic Liquids.

    Science.gov (United States)

    Brown, Lucy C; Hogg, James M; Swadźba-Kwaśny, Małgorzata

    2017-08-21

    Until very recently, the term Lewis acidic ionic liquids (ILs) was nearly synonymous with halometallate ILs, with a strong focus on chloroaluminate(III) systems. The first part of this review covers the historical context in which these were developed, speciation of a range of halometallate ionic liquids, attempts to quantify their Lewis acidity, and selected recent applications: in industrial alkylation processes, in supported systems (SILPs/SCILLs) and in inorganic synthesis. In the last decade, interesting alternatives to halometallate ILs have emerged, which can be divided into two sub-sections: (1) liquid coordination complexes (LCCs), still based on halometallate species, but less expensive and more diverse than halometallate ionic liquids, and (2) ILs with main-group Lewis acidic cations. The two following sections cover these new liquid Lewis acids, also highlighting speciation studies, Lewis acidity measurements, and applications.

  10. Bipolarons in nonmetallic crystals

    International Nuclear Information System (INIS)

    Vinetskii, V.L.; Pashitskii, E.A.; Yanchuk, V.A.

    1987-01-01

    The binding energy of a bipolaron in an ionic crystal increases substantially in the case of strong anisotropy of the effective masses of the free carriers of the easy plane type or easy axis type. In the second case the polaron is cigar-like in shape and the coaxial configuration of bipolarons is energetically favorable. In this case a significant gain in the binding energy and in the width of the region of existence of the bipolaron, with respect to the dielectric constant and the magnitude of the electron-phonon interaction constant, compared with an isotropic crystal, is obtained only for quasi-two-dimensional, or layered, and quasi-one-dimensional, or chainlike, crystals. This work shows that a significant gain in the binding energy can be obtained by taking into account the anisotropy of the dielectric constant of the crystal and localization of the electron wave functions in directions perpendicular to the layers and chains of atoms

  11. Ionic liquids in chemical engineering.

    Science.gov (United States)

    Werner, Sebastian; Haumann, Marco; Wasserscheid, Peter

    2010-01-01

    The development of engineering applications with ionic liquids stretches back to the mid-1990s when the first examples of continuous catalytic processes using ionic liquids and the first studies of ionic liquid-based extractions were published. Ever since, the use of ionic liquids has seen tremendous progress in many fields of chemistry and engineering, and the first commercial applications have been reported. The main driver for ionic liquid engineering applications is to make practical use of their unique property profiles, which are the result of a complex interplay of coulombic, hydrogen bonding and van der Waals interactions. Remarkably, many ionic liquid properties can be tuned in a wide range by structural modifications at their cation and anion. This review highlights specific examples of ionic liquid applications in catalysis and in separation technologies. Additionally, the application of ionic liquids as working fluids in process machines is introduced.

  12. The graph-theoretic minimum energy path problem for ionic conduction

    Directory of Open Access Journals (Sweden)

    Ippei Kishida

    2015-10-01

    Full Text Available A new computational method was developed to analyze the ionic conduction mechanism in crystals through graph theory. The graph was organized into nodes, which represent the crystal structures modeled by ionic site occupation, and edges, which represent structure transitions via ionic jumps. We proposed a minimum energy path problem, which is similar to the shortest path problem. An effective algorithm to solve the problem was established. Since our method does not use randomized algorithm and time parameters, the computational cost to analyze conduction paths and a migration energy is very low. The power of the method was verified by applying it to α-AgI and the ionic conduction mechanism in α-AgI was revealed. The analysis using single point calculations found the minimum energy path for long-distance ionic conduction, which consists of 12 steps of ionic jumps in a unit cell. From the results, the detailed theoretical migration energy was calculated as 0.11 eV by geometry optimization and nudged elastic band method. Our method can refine candidates for possible jumps in crystals and it can be adapted to other computational methods, such as the nudged elastic band method. We expect that our method will be a powerful tool for analyzing ionic conduction mechanisms, even for large complex crystals.

  13. Physicochemical properties of fatty acid based ionic liquids

    International Nuclear Information System (INIS)

    Rocha, Marisa A.A.; Bruinhorst, Adriaan van den; Schröer, Wolffram; Rathke, Bernd; Kroon, Maaike C.

    2016-01-01

    behavior, glass transition temperature, crystallization behavior and melting temperatures of the studied ionic liquids are presented.

  14. Ionic smoke detectors

    CERN Document Server

    2002-01-01

    Ionic smoke detectors are products incorporating radioactive material. This article summarises the process for their commercialization and marketing, and how the activity is controlled, according to regulations establishing strict design and production requisites to guarantee the absence of radiological risk associated both with their use and their final handling as conventional waste. (Author)

  15. Local disorder in mixed crystals as viewed by XRPD

    International Nuclear Information System (INIS)

    Machavariani, V.Sh.; Voronel, A.; Garber, S.; Rubstein, A.; Rosenberg, Yu.; Frenkel, A. I.; Stern, E.A.

    2001-01-01

    A correlation between precise X-ray powder diffraction patterns and atomic size mismatch in disordered mixed crystals (alloys and ionic crystals) is observed. The anisotropy of the elastic moduli has been taken into account for evaluation of the strain energy density of the mixed crystals revealed in XRPD measurements

  16. Ionic liquids in drug delivery.

    Science.gov (United States)

    Shamshina, Julia L; Barber, Patrick S; Rogers, Robin D

    2013-10-01

    To overcome potential problems with solid-state APIs, such as polymorphism, solubility and bioavailability, pure liquid salt (ionic liquid) forms of active pharmaceutical ingredients (API-ILs) are considered here as a design strategy. After a critical review of the current literature, the recent development of the API-ILs strategy is presented, with a particular focus on the liquefaction of drugs. A variety of IL tools for control over the liquid salt state of matter are discussed including choice of counterion to produce an IL from a given API; the concept of oligomeric ions that enables liquefaction of solid ILs by changing the stoichiometry or complexity of the ions; formation of 'liquid co-crystals' where hydrogen bonding is the driving force in the liquefaction of a neutral acid-base complex; combining an IL strategy with the prodrug strategy to improve the delivery of solid APIs; using ILs as delivery agents via trapping a drug in a micelle and finally ILs designed with tunable hydrophilic-lipophilic balance that matches the structural requirements needed to solubilize poorly water-soluble APIs. The authors believe that API-IL approaches may save failed lead candidates, extend the patent life of current APIs, lead to new delivery options or even new pharmaceutical action. They encourage the pharmaceutical industry to invest more research into the API-IL platform as it could lead to fast-tracked approval based on similarities to the APIs already approved.

  17. Nanoscale Ionic Materials

    KAUST Repository

    Rodriguez, Robert; Herrera, Rafael; Archer, Lynden A.; Giannelis, Emmanuel P.

    2008-01-01

    Polymer nanocomposites (nanoparticles dispersed in a polymer matrix) have been the subject of intense research for almost two decades in both academic and industrial settings. This interest has been fueled by the ability of nanocomposites to not only improve the performance of polymers, but also by their ability to introduce new properties. Yet, there are still challenges that polymer nanocomposites must overcome to reach their full potential. In this Research News article we discuss a new class of hybrids termed nanoparticle ionic materials (NIMS). NIMS are organic-inorganic hybrid materials comprising a nanoparticle core functionalized with a covalently tethered ionic corona. They are facilely engineered to display flow properties that span the range from glassy solids to free flowing liquids. These new systems have unique properties that can overcome some of the challenges facing nanocomosite materials. © 2008 WILEY-VCH Verlag GmbH & Co. KGaA.

  18. Super ionic conductive glass

    Science.gov (United States)

    Susman, S.; Volin, K.J.

    Described is an ionically conducting glass for use as a solid electrolyte in a power or secondary cell containing an alkali metal-containing anode and a cathode separated by an alkali metal ion conducting glass having an ionic transference number of unity and the general formula: A/sub 1 + x/D/sub 2-x/3/Si/sub x/P/sub 3 - x/O/sub 12 - 2x/3/, wherein A is a network modifier for the glass and is an alkali metal of the anode, D is an intermediate for the glass and is selected from the class consisting of Zr, Ti, Ge, Al, Sb, Be, and Zn and X is in the range of from 2.25 to 3.0. Of the alkali metals, Na and Li are preferred and of the intermediate, Zr, Ti and Ge are preferred.

  19. Ionic liquid marbles.

    Science.gov (United States)

    Gao, Lichao; McCarthy, Thomas J

    2007-10-09

    Liquid marbles have been reported during this decade and have been argued to be potentially useful for microfluidic and lab-on-a-chip applications. The liquid marbles described to date have been composed of either water or glycerol as the liquid and hydrophobized lycopodium or silica as the stabilizing particles. Both of these components are potentially reactive and do not permit the use of organic chemistry; the liquids are volatile. We report the use of perfluoroalkyl particles (oligomeric (OTFE) and polymeric (PTFE) tetrafluoroethylene, which are unreactive) to support/stabilize a range of ionic liquid marbles. Ionic liquids are not volatile and have been demonstrated to be versatile solvents for chemical transformations. Water marbles prepared with OTFE are much more robust than those prepared with hydrophobized lycopodium or silica.

  20. Nanoscale Ionic Materials

    KAUST Repository

    Rodriguez, Robert

    2008-11-18

    Polymer nanocomposites (nanoparticles dispersed in a polymer matrix) have been the subject of intense research for almost two decades in both academic and industrial settings. This interest has been fueled by the ability of nanocomposites to not only improve the performance of polymers, but also by their ability to introduce new properties. Yet, there are still challenges that polymer nanocomposites must overcome to reach their full potential. In this Research News article we discuss a new class of hybrids termed nanoparticle ionic materials (NIMS). NIMS are organic-inorganic hybrid materials comprising a nanoparticle core functionalized with a covalently tethered ionic corona. They are facilely engineered to display flow properties that span the range from glassy solids to free flowing liquids. These new systems have unique properties that can overcome some of the challenges facing nanocomosite materials. © 2008 WILEY-VCH Verlag GmbH & Co. KGaA.

  1. POSS Ionic Liquid.

    Science.gov (United States)

    Tanaka, Kazuo; Ishiguro, Fumiyasu; Chujo, Yoshiki

    2010-12-22

    We report the synthesis of a stable room-temperature ionic liquid consisting of an octacarboxy polyhedral oligomeric silsesquioxane (POSS) anion and an imidazolium cation. The introduction of the POSS moiety enhances the thermal stability and reduces the melting temperature. From an evaluation of the thermodynamic parameters during the melting, it was found that the rigidity and cubic structure of POSS can contribute to the enhancement of these thermal properties.

  2. Thermodynamic estimation: Ionic materials

    International Nuclear Information System (INIS)

    Glasser, Leslie

    2013-01-01

    Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy

  3. Course on Ionic Channels

    CERN Document Server

    1986-01-01

    This book is based on a series of lectures for a course on ionic channels held in Santiago, Chile, on November 17-20, 1984. It is intended as a tutorial guide on the properties, function, modulation, and reconstitution of ionic channels, and it should be accessible to graduate students taking their first steps in this field. In the presentation there has been a deliberate emphasis on the spe­ cific methodologies used toward the understanding of the workings and function of channels. Thus, in the first section, we learn to "read" single­ channel records: how to interpret them in the theoretical frame of kinetic models, which information can be extracted from gating currents in re­ lation to the closing and opening processes, and how ion transport through an open channel can be explained in terms of fluctuating energy barriers. The importance of assessing unequivocally the origin and purity of mem­ brane preparations and the use of membrane vesicles and optical tech­ niques in the stUGY of ionic channels a...

  4. Vibrational Spectroscopy of Ionic Liquids.

    Science.gov (United States)

    Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C

    2017-05-24

    Vibrational spectroscopy has continued use as a powerful tool to characterize ionic liquids since the literature on room temperature molten salts experienced the rapid increase in number of publications in the 1990's. In the past years, infrared (IR) and Raman spectroscopies have provided insights on ionic interactions and the resulting liquid structure in ionic liquids. A large body of information is now available concerning vibrational spectra of ionic liquids made of many different combinations of anions and cations, but reviews on this literature are scarce. This review is an attempt at filling this gap. Some basic care needed while recording IR or Raman spectra of ionic liquids is explained. We have reviewed the conceptual basis of theoretical frameworks which have been used to interpret vibrational spectra of ionic liquids, helping the reader to distinguish the scope of application of different methods of calculation. Vibrational frequencies observed in IR and Raman spectra of ionic liquids based on different anions and cations are discussed and eventual disagreements between different sources are critically reviewed. The aim is that the reader can use this information while assigning vibrational spectra of an ionic liquid containing another particular combination of anions and cations. Different applications of IR and Raman spectroscopies are given for both pure ionic liquids and solutions. Further issues addressed in this review are the intermolecular vibrations that are more directly probed by the low-frequency range of IR and Raman spectra and the applications of vibrational spectroscopy in studying phase transitions of ionic liquids.

  5. Synthesis, characterization, and tuning of the liquid crystal properties of ionic materials based on the cyclic polyoxothiometalate [{Mo4O4S4(H2O)3(OH)2}2(P8W48O184)](36-).

    Science.gov (United States)

    Watfa, Nancy; Floquet, Sébastien; Terazzi, Emmanuel; Haouas, Mohamed; Salomon, William; Korenev, Vladimir S; Taulelle, Francis; Guénée, Laure; Hijazi, Akram; Naoufal, Daoud; Piguet, Claude; Cadot, Emmanuel

    2015-02-14

    A series of compounds resulting from the ionic association of a nanoscopic inorganic cluster of formula [K2NaxLiy{Mo4O4S4(OH)2(H2O)3}2(HzP8W48O184)]((34-x-y-z)-), 1, with several organic cations such as dimethyldioctadecylammonium DODA(+), trimethylhexadecylammonium TMAC16(+), alkylmethylimidazoliums mimCn(+) (n = 12-20) and alkyl-dimethylimidazoliums dmimCn(+) (n = 12 and 16) was prepared and characterized in the solid state by FT-IR, EDX, Elemental analysis, TGA and solid state NMR. The solid state NMR experiments performed on (1)H, (13)C and (31)P nuclei evidenced the interactions between the cations and 1 as well as the organization of the alkyl chains of the cations within the solid. Polarized optical microscopy, DSC and SA-XRD experiments implicated mesomorphic phases for DODA(+) and mimCn(+) salts of 1. The crystallographic parameters were determined and demonstrated that the inter-lamellar spacing could be controlled upon changing the length of the alkyl chain, a very interesting result if we consider the huge size of the inorganic cluster 1 and the simple nature of the cations.

  6. Ionic conductivity in irradiated KCL; Conductiviad ionica de KCL irradiado

    Energy Technology Data Exchange (ETDEWEB)

    Vignolo Rubio, J

    1979-07-01

    The ionic conductivity of X and gamma irradiated KCL single crystals has been studied between room temperature and 600 degree centigree. the radiation induced damage resulting in a decrease of the conductivity heals by thermal annealing in two steps which are at about 350 and 550 degree centigree respectively. It has been found that the radiation induced colour centres are not involved in the observed decrease of the ionic conductivity. However. It has been observed that the effects of quenching and plastic deformation on the conductivity of the samples are very similar to the effect induced by irradiation. It is suggested that, samples radiation induced dislocation loops might cause the ionic conductivity decrease observed in irradiated samples. (Author)

  7. Graphene-ionic liquid composites

    Energy Technology Data Exchange (ETDEWEB)

    Aksay, Ilhan A.; Korkut, Sibel; Pope, Michael; Punckt, Christian

    2016-11-01

    Method of making a graphene-ionic liquid composite. The composite can be used to make elec-trodes for energy storage devices, such as batteries and supercapacitors. Dis-closed and claimed herein is method of making a graphene-ionic liquid com-posite, comprising combining a graphene source with at least one ionic liquid and heating the combination at a temperature of at least about 130 .degree. C.

  8. Liquid Crystals of Lithium Dodecylbenzenesulfonate for Electric Double Layer Capacitors

    International Nuclear Information System (INIS)

    Kuzmin, Andrey Vasil’evich; Yurtov, Evgeny V.

    2016-01-01

    Ionic lyotropic liquid crystals based on lithium dodecylbenzenesulfonate were used as electrolytes for electric double layer capacitors with carbon fibrous electrodes. The capacitors were tasted by cyclic voltammetry, galvanostatic charge and discharge, and impedance spectroscopy. The highest specific capacitance was achieved for electrical double layer capacitor equipped with ionic lyotropic liquid crystal of lithium dodecylbenzenesulfonate 35 wt% in water. The specific capacitance of capacitor was calculated from galvanostatic discharge curves – 15 F/g of carbon fibrous material

  9. On dewetting of thin films due to crystallization (crystallization dewetting).

    Science.gov (United States)

    Habibi, Mehran; Rahimzadeh, Amin; Eslamian, Morteza

    2016-03-01

    Drying and crystallization of a thin liquid film of an ionic or a similar solution can cause dewetting in the resulting thin solid film. This paper aims at investigating this type of dewetting, herein termed "crystallization dewetting", using PbI2 dissolved in organic solvents as the model solution. PbI2 solid films are usually used in X-ray detection and lead halide perovskite solar cells. In this work, PbI2 films are fabricated using spin coating and the effect of major parameters influencing the crystallization dewetting, including the type of the solvent, solution concentration, drying temperature, spin speed, as well as imposed vibration on the substrate are studied on dewetting, surface profile and coverage, using confocal scanning laser microscopy. Simplified hydrodynamic governing equations of crystallization in thin films are presented and using a mathematical representation of the process, it is phenomenologically demonstrated that crystallization dewetting occurs due to the absorption and consumption of the solution surrounding a growing crystal. Among the results, it is found that a low spin speed (high thickness), a high solution concentration and a low drying temperature promote crystal growth, and therefore crystallization dewetting. It is also shown that imposed vibration on the substrate can affect the crystal size and crystallization dewetting.

  10. Crystal growth and characterization of SrFe{sub 2}(As{sub 1-x}P{sub x}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Baglatzi, Fryni; Adamski, Agnes; Krellner, Cornelius [Physikalisches Institut, Goethe Universitaet Frankfurt am Main, D-60438, Frankfurt am Main (Germany)

    2016-07-01

    The discovery of iron-based superconductors brought new excitement to the field of unconventional superconducting (SC). Most studied are the so called (122 compounds), the AFe{sub 2}As{sub 2} with A=Ba, Sr or Ca. An important point is, that different substitution series reveal different temperature-concentration phase diagrams, including varying SC order parameters and coexistence regions of magnetism and SC. The crystal growth of SrFe{sub 2}As{sub 2} can be achieved by using the self-flux technique. However, exact melting temperatures of various flux to composition ratios are not reported in literature. We determined the melting points for various flux concentrations, using differential thermal analysis (DTA) in order to find out the pseudo binary phase diagram. Furthermore, crystal growth was conducted on the phosphorous doped series. Our samples were analyzed with scanning electron microscope, energy dispersive x-ray analysis and powder diffractometry, in order to determine the phase relations and distribution coefficients.

  11. Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ(2)N,N')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ(2)N,N')iron(II) bis(tricyanomethanide) sesquihydrate.

    Science.gov (United States)

    Potočňák, Ivan; Váhovská, Lucia; Herich, Peter

    2014-05-01

    Two new diamagnetic coordination compounds, [Fe(phen)3][C(CN)3]2, (I), and [Fe(bpy)3][C(CN)3]2·1.5H2O, (II), have been synthesized and characterized by single-crystal X-ray diffraction analysis, and IR and UV-Vis spectroscopy (phen is 1,10-phenanthroline, C12H8N2, and bpy is 2,2'-bipyridine, C10H8N2). Both compounds are ionic with distorted octahedral [Fe(phen)3](2+) or [Fe(bpy)3](2+) complex cations, with average Fe-N distances of 1.977 (2) and 1.971 (3) Å, respectively, and two uncoordinated planar tricyanomethanide, or [C(CN)3](-), counter-anions balancing the positive charges of the cations. Solvent water molecules and tcm anions in (II) are linked via O-H...N hydrogen bonds into negatively charged layers and the interlayer space is filled by [Fe(bpy)3](2+) cations. The structures of (I) and (II) are stabilized by π-π interactions between the stacked aromatic rings of the phen ligands of two adjacent cations and by O-H...N hydrogen bonds, respectively, and also by π-π stacking interactions between phen and tcm units in (I).

  12. Ionic and Molecular Liquids

    DEFF Research Database (Denmark)

    Chaban, Vitaly V.; Prezhdo, Oleg

    2013-01-01

    Because of their outstanding versatility, room-temperature ionic liquids (RTILs) are utilized in an ever increasing number of novel and fascinating applications, making them the Holy Grail of modern materials science. In this Perspective, we address the fundamental research and prospective...... applications of RTILs in combination with molecular liquids, concentrating on three significant areas: (1) the use of molecular liquids to decrease the viscosity of RTILs; (2) the role of RTIL micelle formation in water and organic solvents; and (3) the ability of RTILs to adsorb pollutant gases. Current...

  13. Ionic liquids, electrolyte solutions including the ionic liquids, and energy storage devices including the ionic liquids

    Science.gov (United States)

    Gering, Kevin L.; Harrup, Mason K.; Rollins, Harry W.

    2015-12-08

    An ionic liquid including a phosphazene compound that has a plurality of phosphorus-nitrogen units and at least one pendant group bonded to each phosphorus atom of the plurality of phosphorus-nitrogen units. One pendant group of the at least one pendant group comprises a positively charged pendant group. Additional embodiments of ionic liquids are disclosed, as are electrolyte solutions and energy storage devices including the embodiments of the ionic liquid.

  14. Removal of Na+ from Ionic Liquids by Zeolite for High Quality Electrolyte Manufacture

    International Nuclear Information System (INIS)

    Cho, Wonje; Seo, Yongseong; Jung, Soon Jae; Lee, Won Gil; Kim, Byung Chul; Yu, Kookhyun

    2013-01-01

    This study develops a novel method to remove the free cations created during the synthesis of ionic liquid. The cations are removed from the ionic liquid by size-selective adsorption onto chemically surface-modified Zeolite. The porous crystal nano-structure of Zeolite has several electron-rich Al sites to attract cations. While large cations of an ionic liquid cannot access the Zeolite nano-structure, small cations like Na + have ready access and are adsorbed. This study confirms that: Na + can be removed from ionic liquid effectively using Zeolite; and, in contrast to the conventional and extensively applied ion exchange resin method or solvent extraction methods, this can be done without changing the nature of the ionic liquid

  15. Raman spectroscopy, ab-initio model calculations, and conformational, equilibria in ionic liquids

    OpenAIRE

    Berg, Rolf W.

    2009-01-01

    A review of the recent developments in the study and understanding of room temperature ionic liquids are given. An intimate picture of how and why these liquids are not crystals at ambient conditions is attempted, based on evidence from crystallographical results combined with vibrational spectroscopy and ab-initio molecular orbital calculations. A discussion is given, based mainly on some recent FT- Raman spectroscopic results on the model ionic liquid system of 1-butyl-3-methyl-imidazolium ...

  16. Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids:Invited Review

    OpenAIRE

    Berg, Rolf W.

    2007-01-01

    A review of the recent developments in the study and understanding of room temperature ionic liquids are given. An intimate picture of how and why these liquids are not crystals at ambient conditions is attempted, based on evidence from crystallographical results combined with vibrational spectroscopy and ab-initio molecular orbital calculations. A discussion is given, based mainly on some recent FT-Raman spectroscopic results on the model ionic liquid system of 1-butyl-3-methylimidazolium ([...

  17. Ionic molecular films. Applications. 3. Electron beam stimulated enhanced adherence

    Energy Technology Data Exchange (ETDEWEB)

    Baldacchini, G; Montereali, R M; Scavarda do Carmo, L C

    1989-11-01

    This paper reports on the advantages of the use of the technique of electron beam lithography to imprint enhanced sensitive patterns on ionic molecular substrates (bulk crystals or films). With this technique, localized superficial defects are produced which change the chemical properties of surfaces. Sensitized surfaces react with absorbates providing enhanced adherence of such substances. The use of spacially controlled electron beams allows the construction of small (sub-micron) feature chemical and very localized enhanced adherence of absorbates.

  18. Ionic liquids comprising heteraromatic anions

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, William F.; Brennecke, Joan F.; Maginn, Edward J.; Mindrup, Elaine; Gurkan, Burcu; Price, Erica; Goodrich, Brett

    2018-04-24

    Some embodiments described herein relate to ionic liquids comprising an anion of a heteraromatic compound such as optionally substituted pyrrolide, optionally substituted pyrazolide, optionally substituted indolide, optionally substituted phospholide, or optionally substituted imidazolide. Methods and devices for gas separation or gas absorption related to these ionic liquids are also described herein.

  19. Supercritical fluids in ionic liquids

    NARCIS (Netherlands)

    Kroon, M.C.; Peters, C.J.; Plechkova, N.V.; Seddon, K.R.

    2014-01-01

    Ionic liquids and supercritical fluids are both alternative environmentally benign solvents, but their properties are very different. Ionic liquids are non-volatile but often considered highly polar compounds, whereas supercritical fluids are non-polar but highly volatile compounds. The combination

  20. Laser-induced microscopic phase-transition on an ionic liquid

    International Nuclear Information System (INIS)

    Iguchi, Natsuki; Datta, Alokmay; Yoshikawa, Kenichi; Ma Yue

    2009-01-01

    Nematic-isotropic transition is induced in a 5 μm 'droplet' within an oriented bulk of a mixture of a liquid crystalline material with a room-temperature ionic liquid, by a laser working at 532 nm with an output power of 200 mW and a beam diameter of 1 μm. No microscopic phase transition is observed either in absence of the ionic liquid or at the other wavelength of 1064 nm, available to the Nd-YAG laser. This indicates the essential role on a resonant transfer of energy to the ionic liquid from the laser radiation, which is subsequently transferred to the liquid crystal. Spectroscopy of the pure liquid crystal and ionic liquid samples confirms this concept. Spatio-temporal image of the droplet growth shows, however, that the phase transition remains confined within the microscopic domain for the first 50 s, and then spreads out rapidly. Since resonant, quantum transitions between molecular levels takes place in less than microseconds, the about seven orders of magnitude slowing down of energy transfer observed here suggests unique hierarchical dynamics including the coupling between the intra-molecular motions in the ionic liquid and the inter-molecular forces between ionic liquid and liquid crystal.

  1. High-Pressure Synthesis and Study of NO+NO3− and NO2+NO3− Ionic Solids

    Directory of Open Access Journals (Sweden)

    A. Yu. Kuznetsov

    2009-01-01

    Full Text Available Nitrosonium-nitrate NO+NO3− and dinitrogen pentoxide NO2+NO3− ionic crystals were synthesized by laser heating of a condensed oxygen-rich O2-N2 mixture compressed to different pressures, up to 40 GPa, in a diamond anvil cell (DAC. High-pressure/high-temperature Raman and X-ray diffraction studies of synthesized samples disclosed a transformation of NO+NO3− compound to NO2+NO3− crystal at temperatures above ambient and pressures below 9 GPa. High-pressure experiments revealed previously unreported bands in Raman spectra of NO+NO3− and NO2+NO3− ionic crystals. Structural properties of both ionic compounds are analyzed. Obtained experimental results support a hypothesis of a rotational disorder of NO+ complexes in NO+NO3− and indicate a rotational disorder of ionic complexes in NO2+NO3− solid.

  2. CADDIS Volume 2. Sources, Stressors and Responses: Ionic Strength

    Science.gov (United States)

    Introduction to the ionic strength module, when to list ionic strength as a candidate cause, ways to measure ionic strength, simple and detailed conceptual diagrams for ionic strength, ionic strength module references and literature reviews.

  3. Computer simulation on molten ionic salts

    International Nuclear Information System (INIS)

    Kawamura, K.; Okada, I.

    1978-01-01

    The extensive advances in computer technology have since made it possible to apply computer simulation to the evaluation of the macroscopic and microscopic properties of molten salts. The evaluation of the potential energy in molten salts systems is complicated by the presence of long-range energy, i.e. Coulomb energy, in contrast to simple liquids where the potential energy is easily evaluated. It has been shown, however, that no difficulties are encountered when the Ewald method is applied to the evaluation of Coulomb energy. After a number of attempts had been made to approximate the pair potential, the Huggins-Mayer potential based on ionic crystals became the most often employed. Since it is thought that the only appreciable contribution to many-body potential, not included in Huggins-Mayer potential, arises from the internal electrostatic polarization of ions in molten ionic salts, computer simulation with a provision for ion polarization has been tried recently. The computations, which are employed mainly for molten alkali halides, can provide: (1) thermodynamic data such as internal energy, internal pressure and isothermal compressibility; (2) microscopic configurational data such as radial distribution functions; (3) transport data such as the diffusion coefficient and electrical conductivity; and (4) spectroscopic data such as the intensity of inelastic scattering and the stretching frequency of simple molecules. The computed results seem to agree well with the measured results. Computer simulation can also be used to test the effectiveness of a proposed pair potential and the adequacy of postulated models of molten salts, and to obtain experimentally inaccessible data. A further application of MD computation employing the pair potential based on an ionic model to BeF 2 , ZnCl 2 and SiO 2 shows the possibility of quantitative interpretation of structures and glass transformation phenomena

  4. Structural and magnetic properties of some pseudo-binary and ternary compounds at high curie temperature prepared in the systems: -) rare earth (Nd, Sm) iron hydrogen, -) gadolinium iron aluminium, and -) uranium iron or cobalt silicon or germanium; Proprietes structurales et magnetiques de quelques composes pseudobinaires et ternaires ferromagnetiques a temperature de curie elevee prepares dans les systemes: -) terres rares Nd Sm fer hydrogene, -) gadolinium fer aluminium, and -) uranium fer ou cobalt silicium ou germanium

    Energy Technology Data Exchange (ETDEWEB)

    Berlureau, T

    1991-07-15

    This work highlights the importance of crystal and chemical studies for understanding the magnetic properties of systems as complex as inter-metallic compounds involving rare-earth elements, uranium, silicon or germanium. With a view of finding new compounds with high Curie temperature and strong magneto-crystal anisotropy, it appears that uranium compounds such as UFe{sub 10}Si{sub 2}, UCo{sub 10}Si{sub 2}, U(Fe{sub 10-x}Co{sub x})Si{sub 2} and U{sub 2}M{sub 17-y}X{sub y} where M is Fe or Co and Y is Si or Ge, are interesting because of the 5f orbital that can form bands through direct overlapping and can link itself very strongly with orbitals of nearby atoms.

  5. Liquid crystals in tribology.

    Science.gov (United States)

    Carrión, Francisco-José; Martínez-Nicolás, Ginés; Iglesias, Patricia; Sanes, José; Bermúdez, María-Dolores

    2009-09-18

    Two decades ago, the literature dealing with the possible applications of low molar mass liquid crystals, also called monomer liquid crystals (MLCs), only included about 50 references. Today, thousands of papers, conference reports, books or book chapters and patents refer to the study and applications of MLCs as lubricants and lubricant additives and efforts are made to develop new commercial applications. The development of more efficient lubricants is of paramount technological and economic relevance as it is estimated that half the energy consumption is dissipated as friction. MLCs have shown their ability to form ordered boundary layers with good load-carrying capacity and to lower the friction coefficients, wear rates and contact temperature of sliding surfaces, thus contributing to increase the components service life and to save energy. This review includes the use of MLCs in lubrication, and dispersions of MLCs in conventional polymers (PDMLCs). Finally, new lubricating system composed of MLC blends with surfactants, ionic liquids or nanophases are considered.

  6. Freezing of liquid alkali metals as screened ionic plasmas

    International Nuclear Information System (INIS)

    Badirkhan, Z.; Rovere, M.; Tosi, M.P.

    1990-08-01

    The relationship between Wigner crystallization of the classical ionic plasma and the liquid-solid transition of alkali metals is examined within the density wave theory of freezing. Freezing of the classical plasma on a rigid neutralizing background into the bcc structure is first re-evaluated, in view of recent progress in the determination of its thermodynamic functions by simulation and of the known difficulties of the theory relating to the order parameter at the (200) star of reciprocal lattice vectors. Freezing into the fcc structure is also considered in this context and found to be unfavoured. On allowing for long-wavelength deformability of the background, the ensuing appearance of a volume change on freezing into the bcc structure is accompanied by reduced stability of the fluid phase and by an increase in the entropy of melting. Freezing of alkali metals into the bcc structure is next evaluated, taking their ionic pair structure as that of an ionic plasma reference fluid screened by conduction electrons and asking that the correct ionic coupling strength at liquid-solid coexistence should be approximately reproduced. The ensuring values of the volume and entropy changes across the phase transition, as estimated from the theory by two alternative routes, are in reasonable agreement with experiment. The order parameters of the phase transition, excepting the (200) one, conform rather closely to a Gaussian behaviour and yield a Lindemann ratio in reasonable agreement with the empirical value for melting of bcc crystals. It is suggested that ionic ordering at the (200) star in the metal may be (i) assisted by medium range ordering in the conduction electrons, as indicated by differences in X-ray and neutron diffraction intensities from the liquid, and/or (ii) quite small in the hot bcc solid. Such a possible premelting behaviour of bcc metals should be worth testing experimentally by diffraction. (author). 48 refs, 1 fig., 1 tab

  7. Hydrogen bonding in ionic liquids.

    Science.gov (United States)

    Hunt, Patricia A; Ashworth, Claire R; Matthews, Richard P

    2015-03-07

    Ionic liquids (IL) and hydrogen bonding (H-bonding) are two diverse fields for which there is a developing recognition of significant overlap. Doubly ionic H-bonds occur when a H-bond forms between a cation and anion, and are a key feature of ILs. Doubly ionic H-bonds represent a wide area of H-bonding which has yet to be fully recognised, characterised or explored. H-bonds in ILs (both protic and aprotic) are bifurcated and chelating, and unlike many molecular liquids a significant variety of distinct H-bonds are formed between different types and numbers of donor and acceptor sites within a given IL. Traditional more neutral H-bonds can also be formed in functionalised ILs, adding a further level of complexity. Ab initio computed parameters; association energies, partial charges, density descriptors as encompassed by the QTAIM methodology (ρBCP), qualitative molecular orbital theory and NBO analysis provide established and robust mechanisms for understanding and interpreting traditional neutral and ionic H-bonds. In this review the applicability and extension of these parameters to describe and quantify the doubly ionic H-bond has been explored. Estimating the H-bonding energy is difficult because at a fundamental level the H-bond and ionic interaction are coupled. The NBO and QTAIM methodologies, unlike the total energy, are local descriptors and therefore can be used to directly compare neutral, ionic and doubly ionic H-bonds. The charged nature of the ions influences the ionic characteristics of the H-bond and vice versa, in addition the close association of the ions leads to enhanced orbital overlap and covalent contributions. The charge on the ions raises the energy of the Ylp and lowers the energy of the X-H σ* NBOs resulting in greater charge transfer, strengthening the H-bond. Using this range of parameters and comparing doubly ionic H-bonds to more traditional neutral and ionic H-bonds it is clear that doubly ionic H-bonds cover the full range of weak

  8. Ionic Liquid Epoxy Resin Monomers

    Science.gov (United States)

    Paley, Mark S. (Inventor)

    2013-01-01

    Ionic liquid epoxide monomers capable of reacting with cross-linking agents to form polymers with high tensile and adhesive strengths. Ionic liquid epoxide monomers comprising at least one bis(glycidyl) N-substituted nitrogen heterocyclic cation are made from nitrogen heterocycles corresponding to the bis(glycidyl) N-substituted nitrogen heterocyclic cations by a method involving a non-nucleophilic anion, an alkali metal cation, epichlorohydrin, and a strong base.

  9. Studies in solid state ionics

    International Nuclear Information System (INIS)

    Jakes, D.; Rosenkranz, J.

    1987-01-01

    Studies performed over 10 years by the high temperature chemistry group are reviewed. Attention was paid to different aspects of ionic solids from the point of view of practical as well as theoretical needs of nuclear technology. Thus ceramic fuel compound like uranates, urania-thoria system, solid electrolytes based on oxides and ionics transformations were studied under reactor irradiation. (author) 13 figs., 3 tabs., 46 refs

  10. Fluctuating hydrodynamics for ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Lazaridis, Konstantinos [Department of Mathematics and Statistics, Washington State University, Pullman, 99163 (United States); Wickham, Logan [Department of Computer Science, Washington State University, Richland, 99354 (United States); Voulgarakis, Nikolaos, E-mail: n.voulgarakis@wsu.edu [Department of Mathematics and Statistics, Washington State University, Pullman, 99163 (United States)

    2017-04-25

    We present a mean-field fluctuating hydrodynamics (FHD) method for studying the structural and transport properties of ionic liquids in bulk and near electrified surfaces. The free energy of the system consists of two competing terms: (1) a Landau–Lifshitz functional that models the spontaneous separation of the ionic groups, and (2) the standard mean-field electrostatic interaction between the ions in the liquid. The numerical approach used to solve the resulting FHD-Poisson equations is very efficient and models thermal fluctuations with remarkable accuracy. Such density fluctuations are sufficiently strong to excite the experimentally observed spontaneous formation of liquid nano-domains. Statistical analysis of our simulations provides quantitative information about the properties of ionic liquids, such as the mixing quality, stability, and the size of the nano-domains. Our model, thus, can be adequately parameterized by directly comparing our prediction with experimental measurements and all-atom simulations. Conclusively, this work can serve as a practical mathematical tool for testing various theories and designing more efficient mixtures of ionic liquids. - Highlights: • A new fluctuating hydrodynamics method for ionic liquids. • Description of ionic liquid morphology in bulk and near electrified surfaces. • Direct comparison with experimental measurements.

  11. A novel lattice energy calculation technique for simple inorganic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Kaya, Savaş, E-mail: savaskaya@cumhuriyet.edu.tr [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Banerjee, Priyabrata [Surface Engineering and Tribology Group, CSIR-Central Mechanical Engineering Research Institute, Mahatma Gandhi Avenue, Durgapur 713209 (India)

    2017-01-01

    In this pure theoretical study, a hitherto unexplored equation based on Shannon radii of the ions forming that crystal and chemical hardness of any crystal to calculate the lattice energies of simple inorganic ionic crystals has been presented. To prove the credibility of this equation, the results of the equation have been compared with experimental outcome obtained from Born-Fajans-Haber- cycle which is fundamentally enthalpy-based thermochemical cycle and prevalent theoretical approaches proposed for the calculation of lattice energies of ionic compounds. The results obtained and the comparisons made have demonstrated that the new equation is more useful compared to other theoretical approaches and allows to exceptionally accurate calculation of lattice energies of inorganic ionic crystals without doing any complex calculations.

  12. Ionic Conductivity of Polyelectrolyte Hydrogels.

    Science.gov (United States)

    Lee, Chen-Jung; Wu, Haiyan; Hu, Yang; Young, Megan; Wang, Huifeng; Lynch, Dylan; Xu, Fujian; Cong, Hongbo; Cheng, Gang

    2018-02-14

    Polyelectrolytes have many important functions in both living organisms and man-made applications. One key property of polyelectrolytes is the ionic conductivity due to their porous networks that allow the transport of water and small molecular solutes. Among polyelectrolytes, zwitterionic polymers have attracted huge attention for applications that involve ion transport in a polyelectrolyte matrix; however, it is still unclear how the functional groups of zwitterionic polymer side chains affect their ion transport and swelling properties. In this study, zwitterionic poly(carboxybetaine acrylamide), poly(2-methacryloyloxyethyl phosphorylcholine), and poly(sulfobetaine methacrylate) hydrogels were synthesized and their ionic conductivity was studied and compared to cationic, anionic, and nonionic hydrogels. The change of the ionic conductivity of zwitterionic and nonionic hydrogels in different saline solutions was investigated in detail. Zwitterionic hydrogels showed much higher ionic conductivity than that of the widely used nonionic poly(ethylene glycol) methyl ether methacrylate hydrogel in all tested solutions. For both cationic and anionic hydrogels, the presence of mobile counterions led to high ionic conductivity in low salt solutions; however, the ionic conductivity of zwitterionic hydrogels surpassed that of cationic and ionic hydrogels in high salt solutions. Cationic and anionic hydrogels showed much higher water content than that of zwitterionic hydrogels in deionized water; however, the cationic hydrogels shrank significantly with increasing saline concentration. This work provides insight into the effects of polyelectrolyte side chains on ion transport. This can guide us in choosing better polyelectrolytes for a broad spectrum of applications, including bioelectronics, neural implants, battery, and so on.

  13. Obtaining of lysozyme spherulitic forms at ambient temperature using pyrrolidinium octanoat as ionic liquid additive

    Directory of Open Access Journals (Sweden)

    Claudia Simona ŞTEFAN

    2012-12-01

    Full Text Available Pyrrolidinium octanoate carboxylate (Py+CnH2n+1COO-; PyO in abbreviation was used as additive for advanced crystallization of Lysozyme protein, to investigate the impact of protic ionic liquid on the protein crystal morphology. The ionic liquid was synthesized by acidic-base Brönsted neutralization, and its purity was checked by HPLC. The protein crystallization was made through the method of vapour diffusion with hanging drops. Crystallization experiments of Lysozyme with the addition of PyO were performed at 0.4 M PyO and respectively 1.6 M. The morphological of spherulitic forms of Lysozyme in aqueous solutions of PyO protic ionic liquid was investigated by optical microscopy after trials were incubated at ambient temperature (18-20°C, in various growth periods (3 days and 1 week. Hanging-drop vapour diffusion crystallization experiments with the addition of 0.4 M of PyO show that Lysozyme crystallized in type I spherulitic form. This is assumed to be a result of heterogeneous nucleation, with thin needles radially growing outwardfrom a more or less spherical particle. Hanging-drop vapour diffusioncrystallization experiments revealed that the addition of 1.6 M of PyO led to a second type of spherulitic form of the Lysozyme.

  14. Application of ionic liquids as an electrolyte additive on the electrochemical behavior of lead acid battery

    Energy Technology Data Exchange (ETDEWEB)

    Rezaei, Behzad; Mallakpour, Shadpour; Taki, Mahmood [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran)

    2009-02-15

    Ionic liquids (ILs) belong to new branch of salts with unique properties which their applications have been increasing in electrochemical systems especially lithium-ion batteries. In the present work, for the first time, the effects of four ionic liquids as an electrolyte additive in battery's electrolyte were studied on the hydrogen and oxygen evolution overpotential and anodic layer formation on lead-antimony-tin grid alloy of lead acid battery. Cyclic and linear sweep voltammetric methods were used for this study in aqueous sulfuric acid solution. The morphology of grid surface after cyclic redox reaction was studied using scanning electron microscopy. The results show that most of added ionic liquids increase hydrogen overpotential and whereas they have no significant effect on oxygen overpotential. Furthermore ionic liquids increase antimony dissolution that might be related to interaction between Sb{sup 3+} and ionic liquids. Crystalline structure of PbSO{sub 4} layer changed with presence of ionic liquids and larger PbSO{sub 4} crystals were formed with some of them. These additives decrease the porosity of PbSO{sub 4} perm selective membrane layer at the surface of electrode. Also cyclic voltammogram on carbon-PbO paste electrode shows that with the presence of ionic liquids, oxidation and reduction peak current intensively increased. (author)

  15. Water in Room Temperature Ionic Liquids

    Science.gov (United States)

    Fayer, Michael

    2014-03-01

    Room temperature ionic liquids (or RTILs, salts with a melting point below 25 °C) have become a subject of intense study over the last several decades. Currently, RTIL application research includes synthesis, batteries, solar cells, crystallization, drug delivery, and optics. RTILs are often composed of an inorganic anion paired with an asymmetric organic cation which contains one or more pendant alkyl chains. The asymmetry of the cation frustrates crystallization, causing the salt's melting point to drop significantly. In general, RTILs are very hygroscopic, and therefore, it is of interest to examine the influence of water on RTIL structure and dynamics. In addition, in contrast to normal aqueous salt solutions, which crystallize at low water concentration, in an RTIL it is possible to examine isolated water molecules interacting with ions but not with other water molecules. Here, optical heterodyne-detected optical Kerr effect (OHD-OKE) measurements of orientational relaxation on a series of 1-alkyl-3-methylimidazolium tetrafluoroborate RTILs as a function of chain length and water concentration are presented. The addition of water to the longer alkyl chain RTILs causes the emergence of a long time bi-exponential orientational anisotropy decay. Such decays have not been seen previously in OHD-OKE experiments on any type of liquid and are analyzed here using a wobbling-in-a-cone model. The orientational relaxation is not hydrodynamic, with the slowest relaxation component becoming slower as the viscosity decreases for the longest chain, highest water content samples. The dynamics of isolated D2O molecules in 1-butyl-3-methylimidazolium hexafluorophosphate (BmImPF6) were examined using two dimensional infrared (2D IR) vibrational echo spectroscopy. Spectral diffusion and incoherent and coherent transfer of excitation between the symmetric and antisymmetric modes are examined. The coherent transfer experiments are used to address the nature of inhomogeneous

  16. Picosecond radiolysis of ionic liquids

    International Nuclear Information System (INIS)

    Funston, A.M.; Wishart, J.F.; Neta, P.; Lall, S.I.; Engel, R.

    2003-01-01

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in nuclear fuel and waste processing, energy production, improving the efficiency and safety of industrial chemical processes, and pollution prevention. Ionic liquids are completely nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. An understanding of the radiation chemistry of ionic liquids is important for development of their applications in radioactive material processing and for the application of pulse radiolysis techniques to the general study of chemical reactivity in ionic liquids. Kinetic studies with a picosecond electron accelerator, such as the BNL Laser-Electron Accelerator Facility (LEAF), allow one to observe primary radiation products and their reactions on short time scales. For example, the solvated electron lifetime in neat methyltributylammonium bis(trifluoromethylsulfonyl)imide is ∼300 ns and its absorption maximum is ∼1400 nm. Kinetic studies of primary radiolytic products and their reactivities will be described for several types of ionic liquids. Supported in part by the U.S. Department of Energy, Division of Chemical Sciences, Office of Basic Energy Sciences, under contract DE-AC02-98-CH1088

  17. Thermophysical properties of ionic liquids.

    Science.gov (United States)

    Rooney, David; Jacquemin, Johan; Gardas, Ramesh

    2010-01-01

    Low melting point salts which are often classified as ionic liquids have received significant attention from research groups and industry for a range of novel applications. Many of these require a thorough knowledge of the thermophysical properties of the pure fluids and their mixtures. Despite this need, the necessary experimental data for many properties is scarce and often inconsistent between the various sources. By using accurate data, predictive physical models can be developed which are highly useful and some would consider essential if ionic liquids are to realize their full potential. This is particularly true if one can use them to design new ionic liquids which maximize key desired attributes. Therefore there is a growing interest in the ability to predict the physical properties and behavior of ionic liquids from simple structural information either by using group contribution methods or directly from computer simulations where recent advances in computational techniques are providing insight into physical processes within these fluids. Given the importance of these properties this review will discuss the recent advances in our understanding, prediction and correlation of selected ionic liquid physical properties.

  18. Crystal growth under external electric fields

    International Nuclear Information System (INIS)

    Uda, Satoshi; Koizumi, Haruhiko; Nozawa, Jun; Fujiwara, Kozo

    2014-01-01

    This is a review article concerning the crystal growth under external electric fields that has been studied in our lab for the past 10 years. An external field is applied electrostatically either through an electrically insulating phase or a direct injection of an electric current to the solid-interface-liquid. The former changes the chemical potential of both solid and liquid and controls the phase relationship while the latter modifies the transport and partitioning of ionic solutes in the oxide melt during crystallization and changes the solute distribution in the crystal

  19. Crystal growth under external electric fields

    Energy Technology Data Exchange (ETDEWEB)

    Uda, Satoshi; Koizumi, Haruhiko; Nozawa, Jun; Fujiwara, Kozo [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan)

    2014-10-06

    This is a review article concerning the crystal growth under external electric fields that has been studied in our lab for the past 10 years. An external field is applied electrostatically either through an electrically insulating phase or a direct injection of an electric current to the solid-interface-liquid. The former changes the chemical potential of both solid and liquid and controls the phase relationship while the latter modifies the transport and partitioning of ionic solutes in the oxide melt during crystallization and changes the solute distribution in the crystal.

  20. Optical cleaning of lithium niobate crystals

    International Nuclear Information System (INIS)

    Koesters, Michael

    2010-01-01

    An all-optical method for the removal of photoexcitable electrons from photorefractive centers to get rid of optical damage in lithium niobate crystals is presented, the so-called ''optical cleaning''. The method combines the photovoltaic drift of electrons with ionic charge compensation at sufficiently high temperatures of about 180 C. Optimum choice of the light pattern plus heat dramatically decreases the concentration of photoexcitable electrons in the exposed region leading to a suppression of optical damage. Experiments with slightly iron-doped lithium niobate crystals have shown an increase of the threshold for optical damage of more than 1000 compared to those of untreated crystals. (orig.)

  1. Solid State Ionics: from Michael Faraday to green energy-the European dimension.

    Science.gov (United States)

    Funke, Klaus

    2013-08-01

    Solid State Ionics has its roots essentially in Europe. First foundations were laid by Michael Faraday who discovered the solid electrolytes Ag 2 S and PbF 2 and coined terms such as cation and anion , electrode and electrolyte . In the 19th and early 20th centuries, the main lines of development toward Solid State Ionics, pursued in Europe, concerned the linear laws of transport, structural analysis, disorder and entropy and the electrochemical storage and conversion of energy. Fundamental contributions were then made by Walther Nernst, who derived the Nernst equation and detected ionic conduction in heterovalently doped zirconia, which he utilized in his Nernst lamp. Another big step forward was the discovery of the extraordinary properties of alpha silver iodide in 1914. In the late 1920s and early 1930s, the concept of point defects was established by Yakov Il'ich Frenkel, Walter Schottky and Carl Wagner, including the development of point-defect thermodynamics by Schottky and Wagner. In terms of point defects, ionic (and electronic) transport in ionic crystals became easy to visualize. In an 'evolving scheme of materials science', point disorder precedes structural disorder, as displayed by the AgI-type solid electrolytes (and other ionic crystals), by ion-conducting glasses, polymer electrolytes and nano-composites. During the last few decades, much progress has been made in finding and investigating novel solid electrolytes and in using them for the preservation of our environment, in particular in advanced solid state battery systems, fuel cells and sensors. Since 1972, international conferences have been held in the field of Solid State Ionics, and the International Society for Solid State Ionics was founded at one of them, held at Garmisch-Partenkirchen, Germany, in 1987.

  2. Solid State Ionics: from Michael Faraday to green energy—the European dimension

    Science.gov (United States)

    Funke, Klaus

    2013-01-01

    Solid State Ionics has its roots essentially in Europe. First foundations were laid by Michael Faraday who discovered the solid electrolytes Ag2S and PbF2 and coined terms such as cation and anion, electrode and electrolyte. In the 19th and early 20th centuries, the main lines of development toward Solid State Ionics, pursued in Europe, concerned the linear laws of transport, structural analysis, disorder and entropy and the electrochemical storage and conversion of energy. Fundamental contributions were then made by Walther Nernst, who derived the Nernst equation and detected ionic conduction in heterovalently doped zirconia, which he utilized in his Nernst lamp. Another big step forward was the discovery of the extraordinary properties of alpha silver iodide in 1914. In the late 1920s and early 1930s, the concept of point defects was established by Yakov Il'ich Frenkel, Walter Schottky and Carl Wagner, including the development of point-defect thermodynamics by Schottky and Wagner. In terms of point defects, ionic (and electronic) transport in ionic crystals became easy to visualize. In an ‘evolving scheme of materials science’, point disorder precedes structural disorder, as displayed by the AgI-type solid electrolytes (and other ionic crystals), by ion-conducting glasses, polymer electrolytes and nano-composites. During the last few decades, much progress has been made in finding and investigating novel solid electrolytes and in using them for the preservation of our environment, in particular in advanced solid state battery systems, fuel cells and sensors. Since 1972, international conferences have been held in the field of Solid State Ionics, and the International Society for Solid State Ionics was founded at one of them, held at Garmisch-Partenkirchen, Germany, in 1987. PMID:27877585

  3. Solid State Ionics: from Michael Faraday to green energy—the European dimension

    Directory of Open Access Journals (Sweden)

    Klaus Funke

    2013-01-01

    Full Text Available Solid State Ionics has its roots essentially in Europe. First foundations were laid by Michael Faraday who discovered the solid electrolytes Ag2S and PbF2 and coined terms such as cation and anion, electrode and electrolyte. In the 19th and early 20th centuries, the main lines of development toward Solid State Ionics, pursued in Europe, concerned the linear laws of transport, structural analysis, disorder and entropy and the electrochemical storage and conversion of energy. Fundamental contributions were then made by Walther Nernst, who derived the Nernst equation and detected ionic conduction in heterovalently doped zirconia, which he utilized in his Nernst lamp. Another big step forward was the discovery of the extraordinary properties of alpha silver iodide in 1914. In the late 1920s and early 1930s, the concept of point defects was established by Yakov Il'ich Frenkel, Walter Schottky and Carl Wagner, including the development of point-defect thermodynamics by Schottky and Wagner. In terms of point defects, ionic (and electronic transport in ionic crystals became easy to visualize. In an 'evolving scheme of materials science', point disorder precedes structural disorder, as displayed by the AgI-type solid electrolytes (and other ionic crystals, by ion-conducting glasses, polymer electrolytes and nano-composites. During the last few decades, much progress has been made in finding and investigating novel solid electrolytes and in using them for the preservation of our environment, in particular in advanced solid state battery systems, fuel cells and sensors. Since 1972, international conferences have been held in the field of Solid State Ionics, and the International Society for Solid State Ionics was founded at one of them, held at Garmisch-Partenkirchen, Germany, in 1987.

  4. Comparison studies of rheological and thermal behaviors of ionic liquids and nanoparticle ionic liquids.

    Science.gov (United States)

    Xu, Yiting; Zheng, Qiang; Song, Yihu

    2015-08-14

    Novel nanoparticle ionic liquids (NILs) are prepared by grafting modified nanoparticles with long-chain ionic liquids (ILs). The NIL behaves like a liquid at ambient temperature. We studied the rheological behavior of the IL and NIL over the range of 10-55 °C and found an extraordinary difference between the IL and NIL: a small content of nanosilica (7%) moderately improves the crystallinity by 7% of the poly(ethylene glycol) (PEG) segment in the IL, and it improves the dynamic moduli significantly (by 5 times at room temperature). It retards the decay temperature (by 10 °C) of the dynamic moduli during heating as well. The thermal rheological hysteresis observed during heating-cooling temperature sweeps is ascribed to the melting-recrystallization of the PEG segments. Meanwhile, the IL and NIL express accelerated crystallization behavior in comparison with the oligomeric anion. For the first time, we find that ILs and NILs are able to form nanoparticle-containing spherulites at room temperature after long time aging.

  5. Crystals in crystals

    DEFF Research Database (Denmark)

    Christensen, Claus H.; Schmidt, I.; Carlsson, A.

    2005-01-01

    A major factor governing the performance of catalytically active particles supported on a zeolite carrier is the degree of dispersion. It is shown that the introduction of noncrystallographic mesopores into zeolite single crystals (silicalite-1, ZSM-5) may increase the degree of particle dispersion....... As representative examples, a metal (Pt), an alloy (PtSn), and a metal carbide (beta-Mo2C) were supported on conventional and mesoporous zeolite carriers, respectively, and the degree of particle dispersion was compared by TEM imaging. On conventional zeolites, the supported material aggregated on the outer surface...

  6. Comparing two tetraalkylammonium ionic liquids. II. Phase transitions

    Energy Technology Data Exchange (ETDEWEB)

    Lima, Thamires A.; Paschoal, Vitor H.; Faria, Luiz F. O.; Ribeiro, Mauro C. C., E-mail: mccribei@iq.usp.br [Laboratório de Espectroscopia Molecular, Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, CP 26077, CEP 05513-970 São Paulo, SP (Brazil); Ferreira, Fabio F.; Costa, Fanny N. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, SP (Brazil); Giles, Carlos [Depto. de Física da Matéria Condensada, Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, 13083-859 Campinas, SP (Brazil)

    2016-06-14

    Phase transitions of the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N{sub 1114}][NTf{sub 2}], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N{sub 1444}][NTf{sub 2}], were investigated by differential scanning calorimetry (DSC), X-ray diffraction (XRD) measurements, and Raman spectroscopy. XRD and Raman spectra were obtained as a function of temperature at atmospheric pressure, and also under high pressure at room temperature using a diamond anvil cell (DAC). [N{sub 1444}][NTf{sub 2}] experiences glass transition at low temperature, whereas [N{sub 1114}][NTf{sub 2}] crystallizes or not depending on the cooling rate. Both the ionic liquids exhibit glass transition under high pressure. XRD and low-frequency Raman spectra provide a consistent physical picture of structural ordering-disordering accompanying the thermal events of crystallization, glass transition, cold crystallization, pre-melting, and melting. Raman spectra in the high-frequency range of some specific cation and anion normal modes reveal conformational changes of the molecular structures along phase transitions.

  7. Ionic conducting poly-benzimidazoles

    International Nuclear Information System (INIS)

    Jouanneau, J.

    2006-11-01

    Over the last years, many research works have been focused on new clean energy systems. Hydrogen fuel cell seems to be the most promising one. However, the large scale development of this technology is still limited by some key elements. One of them is the polymer electrolyte membrane 'Nafion' currently used, for which the ratio performance/cost is too low. The investigations we carried out during this thesis work are related to a new class of ionic conducting polymer, the sulfonated poly-benzimidazoles (sPBI). Poly-benzimidazoles (PBI) are aromatic heterocyclic polymers well-known for their excellent thermal and chemical stability. Ionic conduction properties are obtained by having strong acid groups (sulfonic acid SO 3 H) on the macromolecular structure. For that purpose, we first synthesized sulfonated monomers. Their poly-condensation with an appropriate non-sulfonated co-monomer yields to sPBI with sulfonation range from 0 to 100 per cent. Three different sPBI structures were obtained, and verified by appropriate analytical techniques. We also showed that the protocol used for the synthesis resulted in high molecular weights polymers. We prepared ionic conducting membrane by casting sPBI solutions on glass plates. Their properties of stability, water swelling and ionic conductivity were investigated. Surprisingly, the behaviour of sPBI was quite different from the other sulfonated aromatic polymers with same amount of SO 3 H, their stability was much higher, but their water swelling and ionic conductivity were quite low. We attributed these differences to strong ionic interactions between the sulfonic acid groups and the basic benzimidazole groups of our polymers. However, we managed to solve this problem synthesizing very highly sulfonated PBI, obtaining membranes with a good balance between all the properties necessary. (author)

  8. Virtual Crystallizer

    Energy Technology Data Exchange (ETDEWEB)

    Land, T A; Dylla-Spears, R; Thorsness, C B

    2006-08-29

    Large dihydrogen phosphate (KDP) crystals are grown in large crystallizers to provide raw material for the manufacture of optical components for large laser systems. It is a challenge to grow crystal with sufficient mass and geometric properties to allow large optical plates to be cut from them. In addition, KDP has long been the canonical solution crystal for study of growth processes. To assist in the production of the crystals and the understanding of crystal growth phenomena, analysis of growth habits of large KDP crystals has been studied, small scale kinetic experiments have been performed, mass transfer rates in model systems have been measured, and computational-fluid-mechanics tools have been used to develop an engineering model of the crystal growth process. The model has been tested by looking at its ability to simulate the growth of nine KDP boules that all weighed more than 200 kg.

  9. single crystals

    Indian Academy of Sciences (India)

    2018-05-18

    May 18, 2018 ... Abstract. 4-Nitrobenzoic acid (4-NBA) single crystals were studied for their linear and nonlinear optical ... studies on the proper growth, linear and nonlinear optical ..... between the optic axes and optic sign of the biaxial crystal.

  10. Crystal Systems.

    Science.gov (United States)

    Schomaker, Verner; Lingafelter, E. C.

    1985-01-01

    Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

  11. Quantification of Ionic Diffusion in Lead Halide Perovskite Single Crystals

    KAUST Repository

    Peng, Wei; Aranda, Clara; Bakr, Osman; Garcia-Belmonte, Germà ; Bisquert, Juan; Guerrero, Antonio

    2018-01-01

    and electronic current. In this work the synthesis of low defect density monocrystalline MAPbBr3 (MA=Methyl ammonium) solar cells free of hole transport layer (HTL) suppresses the effect of electronic current. Impedance spectroscopy reveals the characteristic

  12. Atomic-scale friction on stepped surfaces of ionic crystals.

    Science.gov (United States)

    Steiner, Pascal; Gnecco, Enrico; Krok, Franciszek; Budzioch, Janusz; Walczak, Lukasz; Konior, Jerzy; Szymonski, Marek; Meyer, Ernst

    2011-05-06

    We report on high-resolution friction force microscopy on a stepped NaCl(001) surface in ultrahigh vacuum. The measurements were performed on single cleavage step edges. When blunt tips are used, friction is found to increase while scanning both up and down a step edge. With atomically sharp tips, friction still increases upwards, but it decreases and even changes sign downwards. Our observations extend previous results obtained without resolving atomic features and are associated with the competition between the Schwöbel barrier and the asymmetric potential well accompanying the step edges.

  13. Cohesion energy calculations for ternary ionic novel crystals

    International Nuclear Information System (INIS)

    Vazquez P, G.; Cabrera, E.; Mijangos, R.R.; Valdez, E.; Duarte, C.

    2001-01-01

    The present work calculates the value of the link energy of a crystalline ternary structure newly formed by alkali halides. The ternary structure prepared with different concentrations of KCl x KBrRbCl 2 maintains a very good miscibility and stability. The calculation is based on the use of a generalization of the Vegard law (which generally is valid for binary compounds) for calculating the values of the lattice constant and the repulsive m exponent. The value of the lattice parameter given by X-ray diffractometry agrees with the close approximation of the calculated value of the method used. It also compares the value of energy cohesion obtained by the Born expression with more complex approximations. (Author)

  14. Ionic liquid-tolerant cellulase enzymes

    Science.gov (United States)

    Gladden, John; Park, Joshua; Singer, Steven; Simmons, Blake; Sale, Ken

    2017-10-31

    The present invention provides ionic liquid-tolerant cellulases and method of producing and using such cellulases. The cellulases of the invention are useful in saccharification reactions using ionic liquid treated biomass.

  15. Nanoparticle enhanced ionic liquid heat transfer fluids

    Science.gov (United States)

    Fox, Elise B.; Visser, Ann E.; Bridges, Nicholas J.; Gray, Joshua R.; Garcia-Diaz, Brenda L.

    2014-08-12

    A heat transfer fluid created from nanoparticles that are dispersed into an ionic liquid is provided. Small volumes of nanoparticles are created from e.g., metals or metal oxides and/or alloys of such materials are dispersed into ionic liquids to create a heat transfer fluid. The nanoparticles can be dispersed directly into the ionic liquid during nanoparticle formation or the nanoparticles can be formed and then, in a subsequent step, dispersed into the ionic liquid using e.g., agitation.

  16. Ionic-Liquid-Tethered Nanoparticles: Hybrid Electrolytes

    KAUST Repository

    Moganty, Surya S.

    2010-10-22

    A new class of solventless electrolytes was created by tethering ionic liquids to hard inorganic ZrO2 nanostructures (see picture; NIM=nanoscale ionic material). These hybrid fluids exhibit exceptional redox stability windows, excellent thermal stability, good lithium transference numbers, long-term interfacial stability in the presence of a lithium anode and, when doped with lithium salt, reasonable ionic conductivities.

  17. Continuum electrostatics for ionic solutions with non-uniform ionic sizes

    International Nuclear Information System (INIS)

    Li Bo

    2009-01-01

    This work concerns electrostatic properties of an ionic solution with multiple ionic species of possibly different ionic sizes. Such properties are described by the minimization of an electrostatic free-energy functional of ionic concentrations. Bounds are obtained for ionic concentrations with low electrostatic free energies. Such bounds are used to show that there exists a unique set of equilibrium ionic concentrations that minimizes the free-energy functional. The equilibrium ionic concentrations are found to depend sorely on the equilibrium electrostatic potential, resembling the classical Boltzmann distributions that relate the equilibrium ionic concentrations to the equilibrium electrostatic potential. Unless all the ionic and solvent molecular sizes are assumed to be the same, explicit formulae of such dependence are, however, not available in general. It is nevertheless proved that in equilibrium the ionic charge density is a decreasing function of the electrostatic potential. This determines a variational principle with a convex functional for the electrostatic potential

  18. Ion pairing in ionic liquids

    International Nuclear Information System (INIS)

    Kirchner, Barbara; Malberg, Friedrich; Firaha, Dzmitry S; Hollóczki, Oldamur

    2015-01-01

    In the present article we briefly review the extensive discussion in literature about the presence or absence of ion pair-like aggregates in ionic liquids. While some experimental studies point towards the presence of neutral subunits in ionic liquids, many other experiments cannot confirm or even contradict their existence. Ion pairs can be detected directly in the gas phase, but no direct method is available to observe such association behavior in the liquid, and the corresponding indirect experimental proofs are based on such assumptions as unity charges at the ions. However, we have shown by calculating ionic liquid clusters of different sizes that assuming unity charges for ILs is erroneous, because a substantial charge transfer is taking place between the ionic liquid ions that reduce their total charge. Considering these effects might establish a bridge between the contradicting experimental results on this matter. Beside these results, according to molecular dynamics simulations the lifetimes of ion–ion contacts and their joint motions are far too short to verify the existence of neutral units in these materials. (topical review)

  19. Catalysis in Molten Ionic Media

    DEFF Research Database (Denmark)

    Boghosian, Soghomon; Fehrmann, Rasmus

    2013-01-01

    This chapter deals with catalysis in molten salts and ionic liquids, which are introduced and reviewed briefly, while an in-depth review of the oxidation catalyst used for the manufacturing of sulfuric acid and cleaning of flue gas from electrical power plants is the main topic of the chapter...

  20. Monomial Crystals and Partition Crystals

    Science.gov (United States)

    Tingley, Peter

    2010-04-01

    Recently Fayers introduced a large family of combinatorial realizations of the fundamental crystal B(Λ0) for ^sln, where the vertices are indexed by certain partitions. He showed that special cases of this construction agree with the Misra-Miwa realization and with Berg's ladder crystal. Here we show that another special case is naturally isomorphic to a realization using Nakajima's monomial crystal.

  1. Taub-Nut Crystal

    Science.gov (United States)

    Imazato, Harunobu; Mizoguchi, Shun'ya; Yata, Masaya

    We consider the Gibbons-Hawking metric for a three-dimensional periodic array of multi-Taub-NUT centers, containing not only centers with a positive NUT charge but also ones with a negative NUT charge. The latter are regarded as representing the asymptotic form of the Atiyah-Hitchin metric. The periodic arrays of Taub-NUT centers have close parallels with ionic crystals, where the Gibbons-Hawking potential plays the role of the Coulomb static potential of the ions, and are similarly classified according to their space groups. After a periodic identification and a Z2 projection, the array is transformed by T-duality to a system of NS5-branes with the SU(2) structure, and a further standard embedding yields, though singular, a half-BPS heterotic 5-brane background with warped compact transverse dimensions. A discussion is given on the possibility of probing the singular geometry by two-dimensional gauge theories.

  2. Application of Ionic Liquids in Hydrometallurgy

    Science.gov (United States)

    Park, Jesik; Jung, Yeojin; Kusumah, Priyandi; Lee, Jinyoung; Kwon, Kyungjung; Lee, Churl Kyoung

    2014-01-01

    Ionic liquids, low temperature molten salts, have various advantages manifesting themselves as durable and environmentally friendly solvents. Their application is expanding into various fields including hydrometallurgy due to their unique properties such as non-volatility, inflammability, low toxicity, good ionic conductivity, and wide electrochemical potential window. This paper reviews previous literatures and our recent results adopting ionic liquids in extraction, synthesis and processing of metals with an emphasis on the electrolysis of active/light, rare earth, and platinum group metals. Because the research and development of ionic liquids in this area are still emerging, various, more fundamental approaches are expected to popularize ionic liquids in the metal manufacturing industry. PMID:25177864

  3. Concerning the trapping of positrons in ionic solids

    International Nuclear Information System (INIS)

    Kunz, A.B.; Waber, J.T.

    1982-01-01

    The total energy of several ionic crystals which contain lattice defects plus a positron were studied in the Hartree-Fock limit. Large uncontracted basis sets of GTO's were used to ensure binding if it would occur. Specifically, the attraction of a positron to a cation vacancy was sought for alkali halides as well as for nickel oxide. While the binding energy to nickel oxide was 8.1 eV, there was very little tendency for the positron to be trapped in the alkali halides. The trapping at a Vsub(k) site was also investigated using similar restricted HF approximation with large sets of GTO's. This defect in LiF was shown to be stable by 0.73 eV, by itself but was unable to bind a positron. These two results are not compatible with qPs being localized in such crystals. (Auth.)

  4. Water-soluble, triflate-based, pyrrolidinium ionic liquids

    International Nuclear Information System (INIS)

    Moreno, M.; Montanino, M.; Carewska, M.; Appetecchi, G.B.; Jeremias, S.; Passerini, S.

    2013-01-01

    Highlights: • Water-soluble, pyrrolidinium triflate ILs as solvents for extraction processes. • Electrolyte components for high safety, electrochemical devices. • Effect of the oxygen atom in the alkyl main side chain of pyrrolidinium cation. -- Abstract: The physicochemical and electrochemical properties of the water-soluble, N-methoxyethyl-N-methylpyrrolidinium trifluoromethanesulfonate (PYR 1(2O1) OSO 2 CF 3 ) ionic liquid (IL) were investigated and compared with those of commercial N-butyl-N-methylpyrrolidinium trifluoromethanesulfonate (PYR 14 OSO 2 CF 3 ). The results have shown that the transport properties are well correlated with the rheological and thermal behavior. The incorporation of an oxygen atom in the pyrrolidinium cation aliphatic side chain resulted in enhanced flexibility of the ether side chain, this supporting for the higher ionic conductivity, self-diffusion coefficient and density of PYR 1(2O1) OSO 2 CF 3 with respect to PYR 14 OSO 2 CF 3 , whereas no relevant effect on the crystallization of the ionic liquid was found. Finally, the presence of the ether side chain material in the pyrrolidinium cation led to a reduction in electrochemical stability, particularly on the cathodic verse

  5. Ionic conductivity studies of gel polyelectrolyte based on ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Cha, E.H. [The Faculty of Liberal Arts (Chemistry), Hoseo University, Asan Choongnam 336-795 (Korea); Lim, S.A. [Functional Proteomics Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea); Park, J.H. [Department of Herbal Medicine, Hoseo University, Asan Choongnam 336-795 (Korea); Kim, D.W. [Department of Chemical Technology, Han Bat National University, Daejon 305-719 (Korea); Macfarlane, D.R. [School of Chemistry, Monash University, Clayton, Vic. 3800 (Australia)

    2008-04-01

    Novel lithium polyelectrolyte-ionic liquids have been prepared and characterized of their properties. Poly(lithium 2-acrylamido-2-methyl propanesulfonate) (PAMPSLi) and its copolymer with N-vinyl formamide (VF) also has been prepared as a copolymer. 1-Ethyl-3-methylimidazolium tricyanomethanide (emImTCM) and N,N-dimethyl-N-propyl-N-butyl ammonium tricyanomethanide (N{sub 1134}TCM) which are chosen because of the same with the anion of ionic liquid were prepared. The ionic conductivity of copolymer system (PAMPSLi/PVF/emImTCM: 5.43 x 10{sup -3} S cm{sup -1} at 25 C) exhibits about over four times higher than that of homopolymer system (PAMPSLi/emImTCM: 1.28 x 10{sup -3} S cm{sup -1} at 25 C). Introduction of vinyl formamide into the copolymer type can increase the dissociation of the lithium cations from the polymer backbone. The ionic conductivity of copolymer with emImTCM (PAMPSLi/PVF/emImTCM) exhibits the higher conductivity than that of PAMPSLi/PVF/N{sub 1134}TCM (2.48 x 10{sup -3} S cm{sup -1}). Because of using the polymerizable anion it is seen to maintain high flexibility of imidazolium cation effectively to exhibit the higher conductivity. And also the viscosity of emImTCM (19.56 cP) is lower than that of N{sub 1134}TCM (28.61 cP). Low viscosity leads to a fast rate of diffusion of redox species. (author)

  6. RNA Crystallization

    Science.gov (United States)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

    RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

  7. Research on Wheat Straw Pulping with Ionic Liquid 1-Ethyl-3-Methylimidazole Bromide

    Directory of Open Access Journals (Sweden)

    Wei Song

    2016-12-01

    Full Text Available In this paper, the pulping process of wheat straw using ionic liquid 1-ethyl-3-methylimidazolium bromide ([Emim]Br as the digestion liquor is presented. The influence of pulping conditions on the pulp yield are analysed by single-factor and orthogonal experiments, and optimum pulping conditions are obtained. The average pulp yield reaches 44 %, and the average recovery rate of ionic liquid is 93.5 %. The XRD pattern shows no obvious change in the crystal structure of the wheat straw cellulose. Additionally, the SEM image illustrates that there are many fine fibres in the pulp and the spaces between the fibres are large.

  8. Crystallization mechanisms of acicular crystals

    Science.gov (United States)

    Puel, François; Verdurand, Elodie; Taulelle, Pascal; Bebon, Christine; Colson, Didier; Klein, Jean-Paul; Veesler, Stéphane

    2008-01-01

    In this contribution, we present an experimental investigation of the growth of four different organic molecules produced at industrial scale with a view to understand the crystallization mechanism of acicular or needle-like crystals. For all organic crystals studied in this article, layer-by-layer growth of the lateral faces is very slow and clear, as soon as the supersaturation is high enough, there is competition between growth and surface-activated secondary nucleation. This gives rise to pseudo-twinned crystals composed of several needle individuals aligned along a crystallographic axis; this is explained by regular over- and inter-growths as in the case of twinning. And when supersaturation is even higher, nucleation is fast and random. In an industrial continuous crystallization, the rapid growth of needle-like crystals is to be avoided as it leads to fragile crystals or needles, which can be partly broken or totally detached from the parent crystals especially along structural anisotropic axis corresponding to weaker chemical bonds, thus leading to slower growing faces. When an activated mechanism is involved such as a secondary surface nucleation, it is no longer possible to obtain a steady state. Therefore, the crystal number, size and habit vary significantly with time, leading to troubles in the downstream processing operations and to modifications of the final solid-specific properties. These results provide valuable information on the unique crystallization mechanisms of acicular crystals, and show that it is important to know these threshold and critical values when running a crystallizer in order to obtain easy-to-handle crystals.

  9. Ionic versus nonionic contrast media

    International Nuclear Information System (INIS)

    Zylak, C.J.; Gafni, A.

    1988-01-01

    The efficacy and effectiveness of the nonionic contrast media have been established. Widespread usage has been hampered because of the approximate tenfold increase in cost compared with the ionic media. An economic evaluation considering costs and consequences of both interventions (ionic vs nonionic contrast media) was performed; it is a cost effectiveness (CEA) and a cost-benefit analysis (CBA) for the Canadian experience. The results of the CEA demonstrate a value per life-year saved within an acceptable range when compared with value for quality-adjusted life years for programs such as treatment of severe (diastolic≥ 105 mm Hg) and mild (diastolic 95-104 mm Hg) hypertension in men aged 40. The CBA showed a net cost to society when benefits were measured as future treatment costs saved plus productivity gained. However, if people are willing to pay a small amount for the comfort of the new intervention, this will result in a break-even situation

  10. Biopolymer Processing Using Ionic Liquids

    Science.gov (United States)

    2014-08-07

    polymerization. Chitin is not only the main component of the shells of crustaceans, but also exists as a structural polysaccharide of insects, mushrooms...combination of the dissolution of the biomass with the acid catlaysts to depolymerize the biomass into feedstock type chemicals. By using an imidazolium...Technical Section Technical Objective Ionic liquids have demonstrated the ability to effectively dissolve biomass ,1,2 including chitin and

  11. Lipid processing in ionic liquids

    DEFF Research Database (Denmark)

    Lue, Bena-Marie; Guo, Zheng; Xu, Xuebing

    2007-01-01

    Ionic liquids (ILs) have been touted as “green” alternatives to traditional molecular solvents and have many unique properties which make them extremely desirable substitutes. Among their most attractive properties are their lack of vapour pressure, broad liquid range, strong solvating power and ...... and the ability to tailor properties of individual ILs to meet specific requirements. This article highlights current research as well as the vast potential of ILs for use as media for reactions, separation and processing in the lipid area....

  12. Thermophysical properties of ammonium and hydroxylammonium protic ionic liquids

    International Nuclear Information System (INIS)

    Chhotaray, Pratap K.; Gardas, Ramesh L.

    2014-01-01

    Highlights: • Density, viscosity and sound velocity measured for five ammonium and hydroxylammonium based protic ionic liquids. • Experimental density and viscosity data estimated using Gardas and Coutinho model and Vogel–Tamman–Fulcher equation. • Effects of cation, anion and alkyl chain length on studied properties have been discussed. • The intermolecular interactions were analyzed on the basis of derived properties. - Abstract: In this work, five protic ionic liquids having propylammonium, 3-hydroxy propylammonium as cations and formate, acetate, trifluoroacetate as anions have been synthesized. Thermophysical properties such as density (ρ), viscosity (η) and sound velocity (u) have been measured at various temperatures ranging from (293.15 to 343.15) K at atmospheric pressure. The experimental density and viscosity were fitted with second order polynomial and Vogel–Tamman–Fulcher (VTF) equations, respectively. Also experimental densities were correlated with the estimated density proposed by Gardas and Coutinho model. The coefficient of thermal expansion (α) and isentropic compressibility (β s ) values have been calculated from the experimental density and sound velocity data using empirical correlations. Lattice potential energy (U POT ) has been calculated to understand the strength of ionic interaction between the ions. Thermal decomposition temperature (T d ) and glass transition temperature (T g ) along with crystallization and melting point were investigated using TGA and DSC analysis, respectively. The effect of alkyl chain length and electronegative fluorine atoms on anionic fragment as well as hydroxyl substituent on cationic side chain in the protic ionic liquids has been discussed for studied properties. The effect of ΔpK a over the studied properties has also been analyzed

  13. 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.

  14. Ionic Liquids to Replace Hydrazine

    Science.gov (United States)

    Koelfgen, Syri; Sims, Joe; Forton, Melissa; Allan, Barry; Rogers, Robin; Shamshina, Julia

    2011-01-01

    A method for developing safe, easy-to-handle propellants has been developed based upon ionic liquids (ILs) or their eutectic mixtures. An IL is a binary combination of a typically organic cation and anion, which generally produces an ionic salt with a melting point below 100 deg C. Many ILs have melting points near, or even below, room temperature (room temperature ionic liquids, RTILs). More importantly, a number of ILs have a positive enthalpy of formation. This means the thermal energy released during decomposition reactions makes energetic ILs ideal for use as propellants. In this specific work, to date, a baseline set of energetic ILs has been identified, synthesized, and characterized. Many of the ILs in this set have excellent performance potential in their own right. In all, ten ILs were characterized for their enthalpy of formation, density, melting point, glass transition point (if applicable), and decomposition temperature. Enthalpy of formation was measured using a microcalorimeter designed specifically to test milligram amounts of energetic materials. Of the ten ILs characterized, five offer higher Isp performance than hydrazine, ranging between 10 and 113 seconds higher than the state-of-the-art propellant. To achieve this level of performance, the energetic cations 4- amino-l,2,4-triazolium and 3-amino-1,2,4-triazolium were paired with various anions in the nitrate, dicyanamide, chloride, and 3-nitro-l,2,4-triazole families. Protonation, alkylation, and butylation synthesis routes were used for creation of the different salts.

  15. Ionic Liquids in Biomass Processing

    Science.gov (United States)

    Tan, Suzie Su Yin; Macfarlane, Douglas R.

    Ionic liquids have been studied for their special solvent properties in a wide range of processes, including reactions involving carbohydrates such as cellulose and glucose. Biomass is a widely available and renewable resource that is likely to become an economically viable source of starting materials for chemical and fuel production, especially with the price of petroleum set to increase as supplies are diminished. Biopolymers such as cellulose, hemicellulose and lignin may be converted to useful products, either by direct functionalisation of the polymers or depolymerisation to monomers, followed by microbial or chemical conversion to useful chemicals. Major barriers to the effective conversion of biomass currently include the high crystallinity of cellulose, high reactivity of carbohydrates and lignin, insolubility of cellulose in conventional solvents, as well as heterogeneity in the native lignocellulosic materials and in lignin itself. This combination of factors often results in highly heterogeneous depolymerisation products, which make efficient separation difficult. Thus the extraction, depolymerisation and conversion of biopolymers will require novel reaction systems in order to be both economically attractive and environmentally benign. The solubility of biopolymers in ionic liquids is a major advantage of their use, allowing homogeneous reaction conditions, and this has stimulated a growing research effort in this field. This review examines current research involving the use of ionic liquids in biomass reactions, with perspectives on how it relates to green chemistry, economic viability, and conventional biomass processes.

  16. On the Chemical Stabilities of Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Yen-Ho Chu

    2009-09-01

    Full Text Available Ionic liquids are novel solvents of interest as greener alternatives to conventional organic solvents aimed at facilitating sustainable chemistry. As a consequence of their unusual physical properties, reusability, and eco-friendly nature, ionic liquids have attracted the attention of organic chemists. Numerous reports have revealed that many catalysts and reagents were supported in the ionic liquid phase, resulting in enhanced reactivity and selectivity in various important reaction transformations. However, synthetic chemists cannot ignore the stability data and intermolecular interactions, or even reactions that are directly applicable to organic reactions in ionic liquids. It is becoming evident from the increasing number of reports on use of ionic liquids as solvents, catalysts, and reagents in organic synthesis that they are not totally inert under many reaction conditions. While in some cases, their unexpected reactivity has proven fortuitous and in others, it is imperative that when selecting an ionic liquid for a particular synthetic application, attention must be paid to its compatibility with the reaction conditions. Even though, more than 200 room temperature ionic liquids are known, only a few reports have commented their effects on reaction mechanisms or rate/stability. Therefore, rather than attempting to give a comprehensive overview of ionic liquid chemistry, this review focuses on the non-innocent nature of ionic liquids, with a decided emphasis to clearly illuminate the ability of ionic liquids to affect the mechanistic aspects of some organic reactions thereby affecting and promoting the yield and selectivity.

  17. On the chemical stabilities of ionic liquids.

    Science.gov (United States)

    Sowmiah, Subbiah; Srinivasadesikan, Venkatesan; Tseng, Ming-Chung; Chu, Yen-Ho

    2009-09-25

    Ionic liquids are novel solvents of interest as greener alternatives to conventional organic solvents aimed at facilitating sustainable chemistry. As a consequence of their unusual physical properties, reusability, and eco-friendly nature, ionic liquids have attracted the attention of organic chemists. Numerous reports have revealed that many catalysts and reagents were supported in the ionic liquid phase, resulting in enhanced reactivity and selectivity in various important reaction transformations. However, synthetic chemists cannot ignore the stability data and intermolecular interactions, or even reactions that are directly applicable to organic reactions in ionic liquids. It is becoming evident from the increasing number of reports on use of ionic liquids as solvents, catalysts, and reagents in organic synthesis that they are not totally inert under many reaction conditions. While in some cases, their unexpected reactivity has proven fortuitously advantageous in others is has been a problem, it is imperative that when selecting an ionic liquid for a particular synthetic application, attention be paid to its compatibility with the reaction conditions. Even though, more than 200 room temperature ionic liquids are known, only a few reports have commented their effects on reaction mechanisms or rate/stability. Therefore, rather than attempting to give a comprehensive overview of ionic liquid chemistry, this review focuses on the non-innocent nature of ionic liquids, with a decided emphasis to clearly illuminate the ability of ionic liquids to affect the mechanistic aspects of some organic reactions thereby affecting and promoting the yield and selectivity.

  18. Radiation Chemistry and Photochemistry of Ionic Liquids

    International Nuclear Information System (INIS)

    Wishart, J.F.; Takahaski, K.

    2010-01-01

    As our understanding of ionic liquids and their tunable properties has grown, it is possible to see many opportunities for ionic liquids to contribute to the sustainable use of energy. The potential safety and environmental benefits of ionic liquids, as compared to conventional solvents, have attracted interest in their use as processing media for the nuclear fuel cycle. Therefore, an understanding of the interactions of ionizing radiation and photons with ionic liquids is strongly needed. However, the radiation chemistry of ionic liquids is still a relatively unexplored topic although there has been a significant increase in the number of researchers in the field recently. This article provides a brief introduction to ionic liquids and their interesting properties, and recent advances in the radiation chemistry and photochemistry of ionic liquids. In this article, we will mainly focus on excess electron dynamics and radical reaction dynamics. Because solvation dynamics processes in ionic liquids are much slower than in molecular solvents, one of the distinguishing characteristics is that pre-solvated electrons play an important role in ionic liquid radiolysis. It will be also shown that the reaction dynamics of radical ions is significantly different from that observed in molecular solvents because of the Coulombic screening effects and electrostatic interactions in ionic liquids.

  19. Liquid Crystals in Tribology

    Directory of Open Access Journals (Sweden)

    María-Dolores Bermúdez

    2009-09-01

    Full Text Available Two decades ago, the literature dealing with the possible applications of low molar mass liquid crystals, also called monomer liquid crystals (MLCs, only included about 50 references. Today, thousands of papers, conference reports, books or book chapters and patents refer to the study and applications of MLCs as lubricants and lubricant additives and efforts are made to develop new commercial applications. The development of more efficient lubricants is of paramount technological and economic relevance as it is estimated that half the energy consumption is dissipated as friction. MLCs have shown their ability to form ordered boundary layers with good load-carrying capacity and to lower the friction coefficients, wear rates and contact temperature of sliding surfaces, thus contributing to increase the components service life and to save energy. This review includes the use of MLCs in lubrication, and dispersions of MLCs in conventional polymers (PDMLCs. Finally, new lubricating system composed of MLC blends with surfactants, ionic liquids or nanophases are considered.

  20. Physical properties of aqueous mixtures of the ionic 1-ethl-3-methyl imidazolium octyl sulfate: A new ionic rigid gel

    International Nuclear Information System (INIS)

    Cabeza, O.; Vila, J.; Rilo, E.; Domínguez-Pérez, M.; Otero-Cernadas, L.; López-Lago, E.; Méndez-Morales, T.; Varela, L.M.

    2014-01-01

    Graphical abstract: Phase diagram indicating three transitions temperatures: (liquid + gel) (dot symbols), (liquid + crystal) (square symbols) and (crystal + liquid) (triangle symbols) for the aqueous EMIM-OS mixtures. - Highlights: • We present the phase diagram of the system EMIM-octyl sulfate + water. • We show that a rigid gel phase appears for certain concentrations and temperatures. • That gel presents a smectic-like phase, being really a rigid gel crystal. • The gel is as electrical conductive as the liquid in spite of the viscosity change. • Density does not change at the (liquid + gel) transition. - Abstract: We report the existence of hydrophobically driven lyotropic rigid gel phase in aqueous mixtures of the ionic liquid (IL) 1-ethyl-3-methyl imidazolium octyl sulfate (EMIM-OS), and we characterize the physical properties of the gel phase by means of density, electrical conductivity and viscosity measurements. Also we include polarized microscopy images, showing the existence of a crystalline-like gel phase with the cations and anions (mainly the alkyl chain of this last ones) ordered in a fashion similar to a liquid crystal, which is induced by the presence of the water molecules. As was pointed out briefly in a previous paper, some of the mixtures of that system under goes a (liquid + gel) phase transition only in a quite narrow concentration interval: for ionic liquid molar fraction, x IL , from 0.09 to 0.5. Below x IL = 0.09 and above x IL = 0.5, the mixtures crystallize at low temperature becoming a hard solid crystal. Here we report the complete phase diagram of this binary system, as well as measurements of the temperature behavior of several physical properties around the (liquid + gel) and (liquid + crystal) transitions. Curiously enough, we did not detect any change in the temperature dependence of the measured magnitudes at the (liquid + gel) phase transition, but for viscosity, even in the case of the electrical conductivity

  1. Point defects and atomic transport in crystals

    International Nuclear Information System (INIS)

    Lidiard, A.B.

    1981-02-01

    There are two principle aspects to the theory of atomic transport in crystals as caused by the action of point defects, namely (1) the calculation of relevant properties of the point defects (energies and other thermodynamic characteristics of the different possible defects, activation energies and other mobility parameters) and (2) the statistical mechanics of assemblies of defects, both equilibrium and non-equilibrium assemblies. In the five lectures given here both these aspects are touched on. The first two lectures are concerned with the calculation of relevant point defect properties, particularly in ionic crystals. The first lecture is more general, the second is concerned particularly with some recent calculations of the free volumes of formation of defects in various ionic solids; these solve a rather long-standing problem in this area. The remaining three lectures are concerned with the kinetic theory of defects mainly in relaxation, drift and diffusion situations

  2. Structural simulation and ionic conductivity mechanisms in lithium thio-borate based glasses

    International Nuclear Information System (INIS)

    Estournes, C.

    1992-04-01

    We propose in this work a structural study of B 2 S 3 -Li 2 S glass system through the use of neutron scattering, X-ray photo-electron spectroscopy and computerized simulation. We have got information on the order at low and short distance range of these glasses. This information has been correlated to changes in physical features like ionic conductivity, density and temperature of the vitreous transition according to their chemical compositions. The knowledge of the local order in the most modified binary glasses has allowed us to propose a model for ionic conduction similar to the model used for ionic crystals. This model has been validated: it yields an activation energy that agrees well with experimental data

  3. On the Chemical Stabilities of Ionic Liquids

    OpenAIRE

    Yen-Ho Chu; Ming-Chung Tseng; Venkatesan Srinivasadesikan; Subbiah Sowmiah

    2009-01-01

    Ionic liquids are novel solvents of interest as greener alternatives to conventional organic solvents aimed at facilitating sustainable chemistry. As a consequence of their unusual physical properties, reusability, and eco-friendly nature, ionic liquids have attracted the attention of organic chemists. Numerous reports have revealed that many catalysts and reagents were supported in the ionic liquid phase, resulting in enhanced reactivity and selectivity in various important reaction transfor...

  4. Electrical resistivity of the pseudo-binary system Ce(Fe sub(1-x)Alsub(x))sub(2)

    International Nuclear Information System (INIS)

    Takeushi, A.Y.; Cunha, S.F. da.

    1983-01-01

    The electrical and magnetic properties of the Laves phase system Ce(Fe sub(1-x) Al sub(x)) 2 for x 2 is destroyed and that a spin glass phase leads to a minimum in the total resistivity with T sub(2 min) proportional to x. The freezing temperature T sub(f) are always smaller than T sub(2 min) and it appears a negative coefficient of the AT sup(3/2) dependence below T sub(f). The minimum in dp/dt is well correlated with T sub(f). (Author) [pt

  5. Study of behaviour during a quench treatment of ferrite delta of binary and pseudo-binary alloys

    International Nuclear Information System (INIS)

    Champin, B.

    1970-01-01

    Focusing of Fe-Cr and Fe-Mo alloys (and extending results to different binary alloys like Fe-W, Fe-Al and Fe-Si, and even to some ternary systems such as Fe-Cr-Ni and Fe-Mo-Ni), and after having recalled some previous results and presented experimental materials and processes, this research thesis describes the behaviour of the considered alloys, reports a detailed study of Fe-Mo alloys (influence of carbon content), a bibliographical study of the gamma-to-delta transformation, the study of hybrid alloys (behaviour, partial transformations, diffusion), the study of other types of alloys (hyper-quench of delta ferrite of Fe-Mo alloys, adsorption and diffusion). It discusses the case of two-phase structures, and the mechanism and kinetics of the delta-to-gamma transformation

  6. Membrane separation of ionic liquid solutions

    Science.gov (United States)

    Campos, Daniel; Feiring, Andrew Edward; Majumdar, Sudipto; Nemser, Stuart

    2015-09-01

    A membrane separation process using a highly fluorinated polymer membrane that selectively permeates water of an aqueous ionic liquid solution to provide dry ionic liquid. Preferably the polymer is a polymer that includes polymerized perfluoro-2,2-dimethyl-1,3-dioxole (PDD). The process is also capable of removing small molecular compounds such as organic solvents that can be present in the solution. This membrane separation process is suitable for drying the aqueous ionic liquid byproduct from precipitating solutions of biomass dissolved in ionic liquid, and is thus instrumental to providing usable lignocellulosic products for energy consumption and other industrial uses in an environmentally benign manner.

  7. Supported Ionic Liquid Phase (SILP) catalysis

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco

    2006-01-01

    Applications of ionic liquids to replace conventional solvents in homogeneous transition-metal catalysis have increased significantly during the last decade. Biphasic ionic liquid/organic liquid systems offer advantages with regard to product separation, catalyst stability, and recycling...... but utilise in the case of fast chemical reactions only a small amount of expensive ionic liquid and catalyst. The novel Supported Ionic Liquid Phase (SILP) catalysis concept overcomes these drawbacks and allows the use of fixed-bed reactors for continuous reactions. In this Microreview the SILP catalysis...

  8. Screening in dense ionic fluids

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1991-01-01

    There has been great progress in recent years in determining and understanding the structure of molten salts. I focus on molten alkali halides and discuss two main points concerning their liquid structure and its relationship with static electrical response in these dense ionic conductors. These are (i) the nature of screening and the related definitions and properties of the screening length and of the dielectric function, and (ii) developments in integral equations techniques for the evaluation of molten salt structure and static screening from given pair potentials. (author). 26 refs, 3 figs, 2 tabs

  9. Ionic Structure at Dielectric Interfaces

    Science.gov (United States)

    Jing, Yufei

    The behavior of ions in liquids confined between macromolecules determines the outcome of many nanoscale assembly processes in synthetic and biological materials such as colloidal dispersions, emulsions, hydrogels, DNA, cell membranes, and proteins. Theoretically, the macromolecule-liquid boundary is often modeled as a dielectric interface and an important quantity of interest is the ionic structure in a liquid confined between two such interfaces. The knowledge gleaned from the study of ionic structure in such models can be useful in several industrial applications, such as biosensors, lithium-ion batteries double-layer supercapacitors for energy storage and seawater desalination. Electrostatics plays a critical role in the development of such functional materials. Many of the functions of these materials, result from charge and composition heterogeneities. There are great challenges in solving electrostatics problems in heterogeneous media with arbitrary shapes because electrostatic interactions remains unknown but depend on the particular density of charge distributions. Charged molecules in heterogeneous media affect the media's dielectric response and hence the interaction between the charges is unknown since it depends on the media and on the geometrical properties of the interfaces. To determine the properties of heterogeneous systems including crucial effects neglected in classical mean field models such as the hard core of the ions, the dielectric mismatch and interfaces with arbitrary shapes. The effect of hard core interactions accounts properly for short range interactions and the effect of local dielectric heterogeneities in the presence of ions and/or charged molecules for long-range interactions are both analyzed via an energy variational principle that enables to update charges and the medium's response in the same simulation time step. In particular, we compute the ionic structure in a model system of electrolyte confined by two planar dielectric

  10. Study on intercalation of ionic liquid into montmorillonite and its property evaluation

    International Nuclear Information System (INIS)

    Takahashi, Chisato; Shirai, Takashi; Fuji, Masayoshi

    2012-01-01

    Present study report fabrication of a solid–liquid intercalated compound using montmorillonite and ionic liquid [IL; 1-Butyl-3-methylimidazolium tetrafluoroborate; ([BMIM][BF 4 ])]. The intercalation of IL into the interlayer of montmorillonite was revealed by swelling behavior measured by X-ray diffraction (XRD) and cation exchange capacity (CEC). The crystal swelling structure of intercalation compound was further evidenced by transmission electron microscope (TEM). From these results, the arrangement of [BMIM] + ions (cationic part of IL) into the unit layer were proposed. Furthermore, the montmorillonite showed electrical conductivity with the aid of IL. This demonstrates a successful attempt to fabricate a solid–liquid state nano-structure compound as possible transparent electrically conducting thin film. -- Highlights: ► Direct intercalation of ionic liquid into the montmorillonite was studied. ► The crystal swelling structure in liquid state was successfully characterized by TEM. ► We proposed the atomic arrangement of intercalated compound using ionic liquid. ► Ionic liquid is useful for fabricating an intercalated compound with electrical-conductivity.

  11. Surface effects on ionic Coulomb blockade in nanometer-size pores

    Science.gov (United States)

    Tanaka, Hiroya; Iizuka, Hideo; Pershin, Yuriy V.; Di Ventra, Massimiliano

    2018-01-01

    Ionic Coulomb blockade in nanopores is a phenomenon that shares some similarities but also differences with its electronic counterpart. Here, we investigate this phenomenon extensively using all-atom molecular dynamics of ionic transport through nanopores of about one nanometer in diameter and up to several nanometers in length. Our goal is to better understand the role of atomic roughness and structure of the pore walls in the ionic Coulomb blockade. Our numerical results reveal the following general trends. First, the nanopore selectivity changes with its diameter, and the nanopore position in the membrane influences the current strength. Second, the ionic transport through the nanopore takes place in a hopping-like fashion over a set of discretized states caused by local electric fields due to membrane atoms. In some cases, this creates a slow-varying ‘crystal-like’ structure of ions inside the nanopore. Third, while at a given voltage, the resistance of the nanopore depends on its length, the slope of this dependence appears to be independent of the molarity of ions. An effective kinetic model that captures the ionic Coulomb blockade behavior observed in MD simulations is formulated.

  12. Surface effects on ionic Coulomb blockade in nanometer-size pores.

    Science.gov (United States)

    Tanaka, Hiroya; Iizuka, Hideo; Pershin, Yuriy V; Ventra, Massimiliano Di

    2018-01-12

    Ionic Coulomb blockade in nanopores is a phenomenon that shares some similarities but also differences with its electronic counterpart. Here, we investigate this phenomenon extensively using all-atom molecular dynamics of ionic transport through nanopores of about one nanometer in diameter and up to several nanometers in length. Our goal is to better understand the role of atomic roughness and structure of the pore walls in the ionic Coulomb blockade. Our numerical results reveal the following general trends. First, the nanopore selectivity changes with its diameter, and the nanopore position in the membrane influences the current strength. Second, the ionic transport through the nanopore takes place in a hopping-like fashion over a set of discretized states caused by local electric fields due to membrane atoms. In some cases, this creates a slow-varying 'crystal-like' structure of ions inside the nanopore. Third, while at a given voltage, the resistance of the nanopore depends on its length, the slope of this dependence appears to be independent of the molarity of ions. An effective kinetic model that captures the ionic Coulomb blockade behavior observed in MD simulations is formulated.

  13. Theoretical investigation of the Te{sub 4}Br{sub 2} molecule in ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Elfgen, Roman [Mulliken Center for Theoretical Chemistry, University of Bonn, Beringstr. 4+6, 53115, Bonn (Germany); Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45413, Muehlheim an der Ruhr (Germany); Holloczki, Oldamur; Ray, Promit; Kirchner, Barbara [Mulliken Center for Theoretical Chemistry, University of Bonn, Beringstr. 4+6, 53115, Bonn (Germany); Groh, Matthias F. [Department of Chemistry and Food Chemistry, Dresden University of Technology, 01062, Dresden (Germany); Ruck, Michael [Department of Chemistry and Food Chemistry, Dresden University of Technology, 01062, Dresden (Germany); Max Planck Institute for Chemical Physics of Solids, Noethnitzer Str. 40, 01187, Dresden (Germany)

    2017-01-15

    Material synthesis in ionic liquids, at or near room temperature, is currently a subject of immense academic interest. In order to illuminate molecular-level details and the underlying chemistry, we carried out molecular simulations of a single Te{sub 4}Br{sub 2} molecule dissolved in the ionic liquid 1-ethyl-3-methylimidazolium chloride, as well as in the ionic liquid mixed with aluminum chloride. Although the ethyl side chain is much too short to show detailed microheterogeneity, significant structuring with the small chloride anions is seen in case of the pure ionic liquid. In the case of the mixture, formation of larger anionic clusters is distinctly observed and analyzed. Due to the tendency of ionic liquids to dissociate, there is a pronounced shift to elongated Te-Br distances in both investigated solvents. However, only in the AlCl{sub 3}-containing liquid, we observe the reaction of the open chain-like Te{sub 4}Br{sub 2} molecule to a closed square-like Te{sub 4}Br{sup +} and AlCl{sub 3}Br{sup -} ion. The molecular arrangement of the [Te{sub 4}]{sup 2+} unit shows negligible deviation from that in the experimental crystal structure. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Theoretical investigation of the Te4Br2 molecule in ionic liquids

    International Nuclear Information System (INIS)

    Elfgen, Roman; Holloczki, Oldamur; Ray, Promit; Kirchner, Barbara; Groh, Matthias F.; Ruck, Michael

    2017-01-01

    Material synthesis in ionic liquids, at or near room temperature, is currently a subject of immense academic interest. In order to illuminate molecular-level details and the underlying chemistry, we carried out molecular simulations of a single Te 4 Br 2 molecule dissolved in the ionic liquid 1-ethyl-3-methylimidazolium chloride, as well as in the ionic liquid mixed with aluminum chloride. Although the ethyl side chain is much too short to show detailed microheterogeneity, significant structuring with the small chloride anions is seen in case of the pure ionic liquid. In the case of the mixture, formation of larger anionic clusters is distinctly observed and analyzed. Due to the tendency of ionic liquids to dissociate, there is a pronounced shift to elongated Te-Br distances in both investigated solvents. However, only in the AlCl 3 -containing liquid, we observe the reaction of the open chain-like Te 4 Br 2 molecule to a closed square-like Te 4 Br + and AlCl 3 Br - ion. The molecular arrangement of the [Te 4 ] 2+ unit shows negligible deviation from that in the experimental crystal structure. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Task-specific thioglycolate ionic liquids for heavy metal extraction: Synthesis, extraction efficacies and recycling properties

    Energy Technology Data Exchange (ETDEWEB)

    Platzer, Sonja [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, 1090 Vienna (Austria); Kar, Mega [School of Chemistry, Monash University, Clayton, Victoria 3800 (Australia); Leyma, Raphlin; Chib, Sonia; Roller, Alexander [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, 1090 Vienna (Austria); Jirsa, Franz [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, 1090 Vienna (Austria); Department of Zoology, University of Johannesburg, PO Box 524, Auckland Park, 2006 Johannesburg (South Africa); Krachler, Regina [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, 1090 Vienna (Austria); MacFarlane, Douglas R. [School of Chemistry, Monash University, Clayton, Victoria 3800 (Australia); Kandioller, Wolfgang, E-mail: wolfgang.kandioller@univie.ac.at [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, 1090 Vienna (Austria); Keppler, Bernhard K. [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, 1090 Vienna (Austria)

    2017-02-15

    Highlights: • Thioglycolate-based ionic liquids have been synthesized and their physicochemical properties have been examined. • The developed ionic liquids can efficiently remove Cu(II) and Cd(II). • Loaded ionic liquids can be recycled by application of different stripping protocols. - Abstract: Eight novel task-specific ionic liquids (TSILs) based on the thioglycolate anion designed for heavy metal extraction have been prepared and characterized by {sup 1}H and {sup 13}C NMR, UV-Vis, infrared, ESI-MS, conductivity, viscosity, density and thermal properties. Evaluation of their time-resolved extraction abilities towards cadmium(II) and copper(II) in aqueous solutions have been investigated where distribution ratios up to 1200 were observed. For elucidation of the IL extraction mode, crystals were grown where Cd(II) was converted with an excess of S-butyl thioglycolate. It was found by X-ray diffraction analysis that cadmium is coordinated by five oxygen and one sulfur donor atoms provided by two thioglycolate molecules and one water molecule. Leaching behavior of the hydrophobic ionic liquids into aqueous systems was studied by TOC (total dissolved organic carbon) measurements. Additionally, the immobilization on polypropylene was elucidated and revealed slower metal extraction rates and similar leaching behavior. Finally, recovery processes for cadmium and copper after extraction were performed and recyclability was successfully proven for both metals.

  16. Determination of Europium by fluorescence using pyrrolidinium based task specific ionic liquid

    International Nuclear Information System (INIS)

    Kumar, Satendra; Gayan, Siuli Maji; Sankaran, K.

    2012-01-01

    Determination of lanthanides using fluorescence is a major challenge in aqueous medium due to their poor molar absorptivities and low quantum yield. To overcome these problems, ligand sensitized fluorescence has been widely used for trace level detection of lanthanides in solutions. Recently, ionic liquid a non aqueous medium has been used to observe the fluorescence of lanthanides. In this work we have used pyrrolidinium based ionic liquid for the study of europium fluorescence. The ionic liquid (bmpyr)(BA) was prepared using the metathesis reaction involving 1-butyl,1-methyl pyrrolidinium chloride (bmpyr)(CI). (bmpyr)(Cl) crystals and silver benzoate were added according to their mole equivalents in methanol and stirred for 4 hrs. The filtrate was concentrated using a rotary evaporator, dried for 10 h at room temperature, and then for 40 h at 105℃under reduced pressure. This results in a white crystalline hygroscopic solid which was characterized by FT-lR spectroscopy. The yield of the product was ∼ 95%. Butyl-1, methyl pyrrolidinium bis(trifluoromethanesulfonyl)amide (bmpyr)(TF 2 N) is used for dissolve and dilute (bmpyr)(BA) and fluorescence and life time of Eu 3+ were obtained. For the concentration of Eu 3+ used in this study (2x10 -7 M), the optimum concentration of the sensitizing ionic liquid was found to be 10 -4 M. An enhancement factor of about 32000 was found in this ionic liquid compare to aqueous medium. Fluorescence life time of europium in this ionic liquid is 1100 μs which is ten times more than the life time of europium in aqueous medium (110 μs), indicating a reduction in the rates of non-radiative processes which was provided by the ionic liquid. This study leads to detection of europium in ppb level. (author)

  17. Regio and stereoselectivity in ionic cycloadditions

    Indian Academy of Sciences (India)

    WINTEC

    Though the reactions have both electrostatic control and frontier orbital control the former dominates in the initial stages of the reaction. Keywords. Stereoselectivity; ionic cycloaddition; density functional theory; acridizinium ion; methyl vinyl ether; 2,3-dimethylisoquinolinium ion. 1. Introduction. In polar or ionic cycloadditions ...

  18. Principle and applications of ionic thermometric detectors

    International Nuclear Information System (INIS)

    Rosenkranz, J.; Jakes, D.

    1989-01-01

    The basic principles of electric conductivity of ionic compounds as well as causes and the character of phase transformation in these systems are briefly explained. The design of ionic thermometric detectors, their function and some applications in thermometry are also described. (author). 3 figs., 1 tab., 7 refs

  19. Improved ionic model of liquid uranium dioxide

    NARCIS (Netherlands)

    Gryaznov, [No Value; Iosilevski, [No Value; Yakub, E; Fortov, [No Value; Hyland, GJ; Ronchi, C

    The paper presents a model for liquid uranium dioxide, obtained by improving a simplified ionic model, previously adopted to describe the equation of state of this substance [1]. A "chemical picture" is used for liquid UO2 of stoichiometric and non-stoichiometric composition. Several ionic species

  20. Aqueous solutions of ionic liquids: microscopic assembly

    NARCIS (Netherlands)

    Vicent-Luna, J.M.; Dubbeldam, D.; Gómez-Álvarez, P.; Calero, S.

    2016-01-01

    Aqueous solutions of ionic liquids are of special interest, due to the distinctive properties of ionic liquids, in particular, their amphiphilic character. A better understanding of the structure-property relationships of such systems is hence desirable. One of the crucial molecular-level

  1. 60Co γ-irradiation induced polymerization of methyl methacrylate in imidazolium ionic liquids

    International Nuclear Information System (INIS)

    Qi Mingying; Wu Gongzhong; Liu Yaodong; Chen Shimou; Sha Maolin

    2006-01-01

    Room temperature ionic liquids (RTILs), as a class of novel environmental benign 'green solvents', have been used as reaction media for various polymerizations due to their unique properties of non-volatility, high polarity, ease of recycling and chirality. In radiation polymerization, the energetic photons or electrons result in the formation of solvated electron and radical ions in ionic liquids, which initiate polymerization of monomers without any chemical initiator. In this work, effects of gamma ray irradiation on pure ionic liquid [bmim][PF 6 ] was investigated in detail in a dose range of 5-400 kGy. The ionic liquids were quite stable under low dose irradiations, but underwent notable radiolysis with high doses. With the irradiated [bmim][PF 6 ], the UV-Vis absorbance increased and the fluorescence intensity decreased with increasing doses. Raman spectra proved that gamma radiation induced significant chemical scission of n-butyl group (e.g. C-H and C-C scission), along with damages to the [PF6] - anion. In cooled samples of the irradiated [bmim][PF 6 ] we found two coexist crystal structures, which had suffered a continuous destruction under high dose irradiation. After ensuring stability of the ionic liquids to low dose irradiation, radiation polymerization of methyl methacrylate (MMA) in ionic liquids and IL/organic solutions was performed. By adding the ionic liquids, the monomer conversion and molecular weight (Mw) of the polymer increased significant. Mw of PMMA in neat ionic liquid increased by about 60 times, from 3 x 10 4 with pure organic solvent to about 2 x 10 6 . Molecular weight of the polymer increased with the IL fraction in the IL/organic solutions, and it was dependent on ionic liquids and solvents used, too. It was also found that the polymer obtained in the existence of IL showed multi-modal broadened molecular weight distribution (MWD). A reasonable explanation is the inhomogeneous nature of the ionic liquid in micron scale and the

  2. Application of Ionic Liquids in Hydrometallurgy

    Directory of Open Access Journals (Sweden)

    Jesik Park

    2014-08-01

    Full Text Available Ionic liquids, low temperature molten salts, have various advantages manifesting themselves as durable and environmentally friendly solvents. Their application is expanding into various fields including hydrometallurgy due to their unique properties such as non-volatility, inflammability, low toxicity, good ionic conductivity, and wide electrochemical potential window. This paper reviews previous literatures and our recent results adopting ionic liquids in extraction, synthesis and processing of metals with an emphasis on the electrolysis of active/light, rare earth, and platinum group metals. Because the research and development of ionic liquids in this area are still emerging, various, more fundamental approaches are expected to popularize ionic liquids in the metal manufacturing industry.

  3. Crystal structure and vibrational spectra of melaminium arsenate

    Science.gov (United States)

    Anbalagan, G.; Marchewka, M. K.; Pawlus, K.; Kanagathara, N.

    2015-01-01

    The crystals of the new melaminium arsenate (MAS) [C3H7N6+ṡH2AsO4-] were obtained by the slow evaporation of an aqueous solution at room temperature. Single crystal X-ray diffraction analysis reveals that the crystal belongs to triclinic system with centro symmetric space group P-1. The crystals are built up from single protonated melaminium residues and single dissociated arsenate H2AsO4- anions. The protonated melaminium ring is almost planar. A combination of ionic and donor-acceptor hydrogen-bond interactions linking together the melaminium and arsenate residues forms a three-dimensional network. Vibrational spectroscopic analysis is reported on the basis of FT-IR and FT-Raman spectra recorded at room temperature. Hydrogen bonded network present in the crystal gives notable vibrational effect. DSC has also been performed for the crystal shows no phase transition in the studied temperature range (113-293 K).

  4. CADDIS Volume 2. Sources, Stressors and Responses: Ionic Strength - Simple Conceptual Diagram

    Science.gov (United States)

    Introduction to the ionic strength module, when to list ionic strength as a candidate cause, ways to measure ionic strength, simple and detailed conceptual diagrams for ionic strength, ionic strength module references and literature reviews.

  5. CADDIS Volume 2. Sources, Stressors and Responses: Ionic Strength - Detailed Conceptual Diagram

    Science.gov (United States)

    Introduction to the ionic strength module, when to list ionic strength as a candidate cause, ways to measure ionic strength, simple and detailed conceptual diagrams for ionic strength, ionic strength module references and literature reviews.

  6. Ionic interactions in biological and physical systems: a variational treatment.

    Science.gov (United States)

    Eisenberg, Bob

    2013-01-01

    Chemistry is about chemical reactions. Chemistry is about electrons changing their configurations as atoms and molecules react. Chemistry has for more than a century studied reactions as if they occurred in ideal conditions of infinitely dilute solutions. But most reactions occur in salt solutions that are not ideal. In those solutions everything (charged) interacts with everything else (charged) through the electric field, which is short and long range extending to the boundaries of the system. Mathematics has recently been developed to deal with interacting systems of this sort. The variational theory of complex fluids has spawned the theory of liquid crystals (or vice versa). In my view, ionic solutions should be viewed as complex fluids, particularly in the biological and engineering context. In both biology and electrochemistry ionic solutions are mixtures highly concentrated (to approximately 10 M) where they are most important, near electrodes, nucleic ids, proteins, active sites of enzymes, and ionic channels. Ca2+ is always involved in biological solutions because the concentration (really free energy per mole) of Ca2+ in a particular location is the signal that controls many biological functions. Such interacting systems are not simple fluids, and it is no wonder that analysis of interactions, such as the Hofmeister series, rooted in that tradition has not succeeded as one would hope. Here, we present a variational treatment of ard spheres in a frictional dielectric with the hope that such a treatment of an lectrolyte as a complex fluid will be productive. The theory automatically extends to spatially nonuniform boundary conditions and the nonequilibrium systems and flows they produce. The theory is unavoidably self-consistent since differential equations are derived (not assumed) from models of (Helmholtz free) nergy and dissipation of the electrolyte. The origin of the Hofmeister series is (in my view) an inverse problem that becomes well posed when

  7. Infrared spectroscopy of ionic clusters

    International Nuclear Information System (INIS)

    Price, J.M.

    1990-11-01

    This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm -1 region. The species studied include: the hydrated hydronium ions, H 3 O + (H 2 O) 3 -10 , ammoniated ammonium ions, NH 4 + (NH 3 ) 1 -10 and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH 4 + (NH 3 ) n (H 2 O) m (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs

  8. Infrared spectroscopy of ionic clusters

    Energy Technology Data Exchange (ETDEWEB)

    Price, J.M. (California Univ., Berkeley, CA (USA). Dept. of Chemistry Lawrence Berkeley Lab., CA (USA))

    1990-11-01

    This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm{sup {minus}1} region. The species studied include: the hydrated hydronium ions, H{sub 3}O{sup +} (H{sub 2}O){sub 3 {minus}10}, ammoniated ammonium ions, NH{sub 4}{sup +}(NH{sub 3}){sub 1 {minus}10} and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH{sub 4}{sup +}(NH{sub 3}){sub n}(H{sub 2}O){sub m} (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs.

  9. Helium crystals

    International Nuclear Information System (INIS)

    Lipson, S.G.

    1987-01-01

    Hexagonal close-packed helium crystals in equilibrium with superfluid have been found to be one of the few systems in which an anisotropic solid comes into true thermodynamic equilibrium with its melt. The discovery of roughening transitions at the liquid-solid interface have shown this system to be ideal for the study of the statistical mechanics of interface structures. We describe the effect of roughening on the shape and growth of macroscopic crystals from both the theoretical and experimental points of view. (author)

  10. $\\beta$-NMR of copper isotopes in ionic liquids

    CERN Multimedia

    We propose to test the feasibility of spin-polarization and $\\beta$-NMR studies on several short-lived copper isotopes, $^{58}$ Cu, $^{74}$Cu and $^{75}$Cu in crystals and liquids. The motivation is given by biological studies of Cu with $\\beta$-NMR in liquid samples, since Cu is present in a large number of enzymes involved in electron transfer and activation of oxygen. The technique is based on spin-polarization via optical pumping in the new VITO beamline. We will use the existing lasers, NMR magnet and NMR chambers and we will prepare a new optical pumping system. The studies will be devoted to tests of achieved $\\beta$-asymmetry in solid hosts, the behaviour of asymmetry when increasing vacuum, and finally NMR scans in ionic liquids. The achieved spin polarization will be also relevant for the plans to measure with high precision the magnetic moments of neutron-rich Cu isotopes.

  11. Modification of Deeply Buried Hydrophobic Interfaces by Ionic Surfactants

    Energy Technology Data Exchange (ETDEWEB)

    L Tamam; D Pontoni Z Sapir; S Yefet; S Sloutskin; B Ocko; H Reichert; M Deutsch

    2011-12-31

    Hydrophobicity, the spontaneous segregation of oil and water, can be modified by surfactants. The way this modification occurs is studied at the oil-water interface for a range of alkanes and two ionic surfactants. A liquid interfacial monolayer, consisting of a mixture of alkane molecules and surfactant tails, is found. Upon cooling, it freezes at T{sub s}, well above the alkane's bulk freezing temperature, T{sub b}. The monolayer's phase diagram, derived by surface tensiometry, is accounted for by a mixtures-based theory. The monolayer's structure is measured by high-energy X-ray reflectivity above and below T{sub s}. A solid-solid transition in the frozen monolayer, occurring approximately 3 C below T{sub s}, is discovered and tentatively suggested to be a rotator-to-crystal transition.

  12. Ionic transport in polypyrrole doped with dianionic counterion hexafluorosilicate

    International Nuclear Information System (INIS)

    Kepas, Anna; Grzeszczuk, Maria

    2006-01-01

    Electrodeposition, redox switching, ion transport/exchange, surface topography for a thin polypyrrole film on gold in aqueous sodium hexafluorosilicate solution is reported. The properties have been compared with that corresponding to polypyrrole doped with hexafluoroaluminate and related systems. The dianionic counterion enhances electroactivity of the polymer, slows down ionic transport in the polymer phase, makes a strong impact on a surface structure of the polymer film. An improvement in stability of the anion-exchanger properties is observed. Several electroanalytical methods: chronoamperometry (Canada), cyclic voltammetry (CV), electrochemical quartz crystal microbalance (EQCM), electrochemical impedance spectroscopy (EIS), and a microscopic examination of the polymer film surface by scanning electron microscopy (SEM) have been used in the experimental work

  13. Recent development of ionic liquid membranes

    Directory of Open Access Journals (Sweden)

    Junfeng Wang

    2016-04-01

    Full Text Available The interest in ionic liquids (IL is motivated by its unique properties, such as negligible vapor pressure, thermal stability, wide electrochemical stability window, and tunability of properties. ILs have been highlighted as solvents for liquid–liquid extraction and liquid membrane separation. To further expand its application in separation field, the ionic liquid membranes (ILMs and its separation technology have been proposed and developed rapidly. This paper is to give a comprehensive overview on the recent applications of ILMs for the separation of various compounds, including organic compounds, mixed gases, and metal ions. Firstly, ILMs was classified into supported ionic liquid membranes (SILMs and quasi-solidified ionic liquid membranes (QSILMs according to the immobilization method of ILs. Then, preparation methods of ILMs, membrane stability as well as applications of ILMs in the separation of various mixtures were reviewed. Followed this, transport mechanisms of gaseous mixtures and organic compounds were elucidated in order to better understand the separation process of ILMs. This tutorial review intends to not only offer an overview on the development of ILMs but also provide a guide for ILMs preparations and applications. Keywords: Ionic liquid membrane, Supported ionic liquid membrane, Qusai-solidified ionic liquid membrane, Stability, Application

  14. 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)

  15. Nanoarchitecture Control Enabled by Ionic Liquids

    Science.gov (United States)

    Murdoch, Heather A.; Limmer, Krista R.; Labukas, Joseph P.

    2017-04-01

    Ionic liquids have many advantages over traditional aqueous electrosynthesis for fabrication of functional nanoarchitectures, including enabling the integration of nanoparticles into traditional coatings, superhydrophobicity, nanofoams, and other hierarchical structures. Shape and size control through ionic liquid selection and processing conditions can synthesize nanoparticles and nanoarchitectures without the use of capping agents, surfactants, or templates that are often deleterious to the functionality of the resultant system. Here we give a brief overview of some recent and interesting applications of ionic liquids to the synthesis of nanoparticles and nanoarchitectures.

  16. Optical cleaning of lithium niobate crystals

    Energy Technology Data Exchange (ETDEWEB)

    Koesters, Michael

    2010-01-15

    An all-optical method for the removal of photoexcitable electrons from photorefractive centers to get rid of optical damage in lithium niobate crystals is presented, the so-called ''optical cleaning''. The method combines the photovoltaic drift of electrons with ionic charge compensation at sufficiently high temperatures of about 180 C. Optimum choice of the light pattern plus heat dramatically decreases the concentration of photoexcitable electrons in the exposed region leading to a suppression of optical damage. Experiments with slightly iron-doped lithium niobate crystals have shown an increase of the threshold for optical damage of more than 1000 compared to those of untreated crystals. (orig.)

  17. Alkaline ionic liquids applied in supported ionic liquid catalyst for selective hydrogenation of citral to citronellal

    Directory of Open Access Journals (Sweden)

    Eero eSalminen

    2014-02-01

    Full Text Available The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat benzalkonium [ADBA] (alkyldimethylbenzylammonium was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalkonium chloride, is a mixture of alkyldimethylbenzylammonium chlorides of various alkyl chain lengths and is commonly used in the formulation of various antiseptic products. The prepared ionic liquids were utilized as Supported Ionic Liquid Catalysts (SILCAs. Typically, a SILCA contains metal nanoparticles, enzymes or metal complexes in an ionic liquid layer which is immobilized on a solid carrier material such as an active carbon cloth (ACC. The catalysts were applied in the selective hydrogenation of citral to citronellal which is an important perfumery chemical. Interestingly, 70 % molar yield towards citronellal was achieved over a catalyst containing the alkaline ionic liquid benzalkonium methoxide.

  18. Alkaline ionic liquids applied in supported ionic liquid catalyst for selective hydrogenation of citral to citronellal

    Science.gov (United States)

    Salminen, Eero; Virtanen, Pasi; Mikkola, Jyri-Pekka

    2014-01-01

    The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat) benzalkonium [ADBA] (alkyldimethylbenzylammonium) was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalkonium chloride, is a mixture of alkyldimethylbenzylammonium chlorides of various alkyl chain lengths and is commonly used in the formulation of various antiseptic products. The prepared ionic liquids were utilized as Supported Ionic Liquid Catalysts (SILCAs). Typically, a SILCA contains metal nanoparticles, enzymes, or metal complexes in an ionic liquid layer which is immobilized on a solid carrier material such as an active carbon cloth (ACC). The catalysts were applied in the selective hydrogenation of citral to citronellal which is an important perfumery chemical. Interestingly, 70% molar yield toward citronellal was achieved over a catalyst containing the alkaline ionic liquid benzalkonium methoxide. PMID:24790972

  19. Ionic conductivity of polymer gels deriving from alkali metal ionic liquids and negatively charged polyelectrolytes

    International Nuclear Information System (INIS)

    Ogihara, Wataru; Sun Jiazeng; Forsyth, Maria; MacFarlane, Douglas R.; Yoshizawa, Masahiro; Ohno, Hiroyuki

    2004-01-01

    We have prepared polymer gel electrolytes with alkali metal ionic liquids (AMILs) that inherently contain alkali metal ions. The AMIL consisted of sulfate anion, imidazolium cation, and alkali metal cation. AMILs were mixed directly with poly(3-sulfopropyl acrylate) lithium salt or poly(2-acrylamido-2-methylpropanesulfonic acid) lithium salt to form polymer gels. The ionic conductivity of these gels decreased with increasing polymer fraction, as in general ionic liquid/polymer mixed systems. At low polymer concentrations, these gels displayed excellent ionic conductivity of 10 -4 to 10 -3 S cm -1 at room temperature. Gelation was found to cause little change in the 7 Li diffusion coefficient of the ionic liquid, as measured by pulse-field-gradient NMR. These data strongly suggest that the lithium cation migrates in successive pathways provided by the ionic liquids

  20. Synthesis of hetero ionic compounds using dialkylcarbonate quaternization

    Energy Technology Data Exchange (ETDEWEB)

    Friesen, Cody A.; Wolfe, Derek; Johnson, Paul Bryan

    2018-04-03

    Methods of preparing hetero ionic complexes, and ionic liquids from bisulfate salts of heteroatomic compounds using dialkylcarbonates as a primary quaternizing reactant are disclosed. Also disclosed are methods of making electrochemical cells comprising the ionic liquids, and an electrochemical cell comprising an alkaline electrolyte and a hetero ionic complex additive.

  1. Ionic liquids, tuneable solvents for intensifying reactions and separations

    NARCIS (Netherlands)

    Meindersma, G.W.; Kuipers, N.J.M.; Haan, de A.B.

    2007-01-01

    An Ionic Liquid (IL), or a Room Temperature Ionic Liquid (RTIL), is commonly defined as a liquid entirely composed of ions, which is a fluid below 100 °C. Due to the fact that an ionic liquid is a salt, it has a negligible vapour pressure. Therefore, ionic liquids are not volatile at ambient process

  2. Interaction of copper with dinitrogen tetroxide in 1-butyl-3-methylimidazolium-based ionic liquids.

    Science.gov (United States)

    Morozov, I V; Deeva, E B; Glazunova, T Yu; Troyanov, S I; Guseinov, F I; Kustov, L M

    2017-03-27

    Ionic liquids that are stable toward oxidation and nitration and are based on the 1-n-butyl-3-methylimidazolium cation (BMIm + ) can be used as solvents and reaction media for copper dissolution in liquid dinitrogen tetraoxide N 2 O 4 . The ionic liquid not only favors the dissociation of N 2 O 4 into NO + and NO 3 - , but also takes part in the formation of different crystalline products. Thus, NO[BF 4 ], NO[Cu(NO 3 ) 3 ] and (BMIm) 2 [Cu 2 (CF 3 COO) 6 ] were prepared using (BMIm)A, A - = [BF 4 ] - , (CF 3 SO 2 ) 2 N - , CF 3 COO - , respectively. The formation of a certain product is determined by the nature of the anion A - and the relative solubility of the reaction products in the ionic liquid. Crystals of NO[BF 4 ] were also prepared directly from a mixture of N 2 O 4 and BMImBF 4 . According to XRD single-crystal structure analysis, the structure of NO[BF 4 ] consists of tetrahedral [BF 4 ] - anions and nitrosonium NO + cations; the formation of these ions prove the heterolytic dissociation of N 2 O 4 dissolved in the ionic liquid. The crystal structure of the earlier unknown binuclear copper trifluoroacetate (BMIm) 2 [Cu 2 (CF 3 COO) 6 ] were determined by X-ray diffraction. The peculiarity of this dimer compared to the majority of known dimeric copper(ii) carboxylates is the unusually long CuCu distance (3.15 Å), with Cu(ii) ions demonstrating an atypical coordination of a distorted trigonal bipyramid formed by five O atoms of five trifluoroacetate groups.

  3. Thioimidazolium Ionic Liquids as Tunable Alkylating Agents.

    Science.gov (United States)

    Guterman, Ryan; Miao, Han; Antonietti, Markus

    2018-01-19

    Alkylating ionic liquids based on the thioimidazolium structure combine the conventional properties of ionic liquids, including low melting point and nonvolatility, with the alkylating function. Alkyl transfer occurs exclusively from the S-alkyl position, thus allowing for easy derivatization of the structure without compromising specificity. We apply this feature to tune the electrophilicty of the cation to profoundly affect the reactivity of these alkylating ionic liquids, with a caffeine-derived compound possessing the highest reactivity. Anion choice was found to affect reaction rates, with iodide anions assisting in the alkylation reaction through a "shuttling" process. The ability to tune the properties of the alkylating agent using the toolbox of ionic liquid chemistry highlights the modular nature of these compounds as a platform for alkylating agent design and integration in to future systems.

  4. Thermodynamic Analysis of Ionic Compounds: Synthetic Applications.

    Science.gov (United States)

    Yoder, Claude H.

    1986-01-01

    Shows how thermodynamic cycles can be used to understand trends in heats of formation and aqueous solubilities and, most importantly, how they may be used to choose synthetic routes to new ionic compounds. (JN)

  5. Functionalized dicationic ionic liquids: Green and efficient ...

    Indian Academy of Sciences (India)

    have the advantages of liquid and solid phase together.11. Task-specific ionic liquids ... more attention as alternative reaction media in green chemistry than conventional ..... The reaction mixture was divided into two. Figure 3. Reusability of ...

  6. ELECTROCATALYSIS OF HEMOGLOBIN IN IONIC LIQUID ...

    African Journals Online (AJOL)

    Preferred Customer

    thermal stability, relatively high ionic conductivity, negligible vapor pressure and wide ... through the opposite end of the tube to establish an electrical contact and the ... support to assembly the Hb molecules and form a biocompatible porous ...

  7. Ionic Liquid Epoxy Composite Cryotanks, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of this work is to determine the optimal process for manufacturing lightweight linerless cryogenic storage tanks using ionic liquid epoxy composite...

  8. Selective gas absorption by ionic liquids

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Kegnæs, Søren; Due-Hansen, Johannes

    2010-01-01

    Reversible absorption performance for the flue gas components CO 2, NO and SO2 has been tested for several different ionic liquids (ILs) at different temperatures and flue gas compositions. Furthermore, different porous, high surface area carriers have been applied as supports for the ionic liquids...... to obtain Supported Ionic Liquid-Phase (SILP) absorber materials. The use of solid SILP absorbers with selected ILs were found to significantly improve the absorption capacity and sorption dynamics at low flue gas concentration, thus making the applicability of ILs viable in technical, continuous flow...... processes for flue gas cleaning. The results show that CO 2, NO and SO2 can be reversible and selective absorbed using different ILs and that Supported Ionic Liquid-Phase (SILP) absorbers are promising materials for industrial flue gas cleaning. Absorption/desorption dynamics can be tuned by temperatures...

  9. Polypyrrole for Artificial Muscles: Ionic Mechanisms

    DEFF Research Database (Denmark)

    Skaarup, Steen

    2006-01-01

    the matrix of a polymer electrode – thereby causing volume expansion which can be converted into work. Solvent molecules are able to penetrate the polymer too. A precise description of the nature of these ionic and solvent movements is therefore important for understanding and improving the performance....... This work examines the influence of solvent, ionic species and electrolyte concentration on the fundamental question about the ionic mechanism involved: Is the actuation process driven by anion motion, cation motion, or a mixture of the two? In addition: What is the extent of solvent motion? The discussion...... is centered on polypyrrole (PPy), which is the material most used and studied. The tetraethyl ammonium cation (TEA) is shown to be able to move in and out of PPy(DBS) polymer films, in contrast to expectations. There is a switching between ionic mechanisms during cycling in TEACl electrolyte....

  10. Modeling electrokinetics in ionic liquids: General

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chao [Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland WA USA; Bao, Jie [Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland WA USA; Pan, Wenxiao [Department of Mechanical Engineering, University of Wisconsin-Madison, Madison WI USA; Sun, Xin [Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland WA USA

    2017-04-07

    Using direct numerical simulations we provide a thorough study on the electrokinetics of ionic liquids. In particular, the modfied Poisson-Nernst-Planck (MPNP) equations are solved to capture the crowding and overscreening effects that are the characteristics of an ionic liquid. For modeling electrokinetic flows in an ionic liquid, the MPNP equations are coupled with the Navier-Stokes equations to study the coupling of ion transport, hydrodynamics, and electrostatic forces. Specifically, we consider the ion transport between two parallel plates, charging dynamics in a 2D straight-walled pore, electro-osmotic ow in a nano-channel, electroconvective instability on a plane ion-selective surface, and electroconvective ow on a curved ion-selective surface. We discuss how the crowding and overscreening effects and their interplay affect the electrokinetic behaviors of ionic liquids in these application problems.

  11. IMPROVED SYNTHESIS OF ROOM TEMPERATURE IONIC LIQUIDS

    Science.gov (United States)

    Room temperature ionic liquids (RTILs), molten salts comprised of N-alkylimidazolium cations and various anions, have received significant attention due to their commercial potential in a variety of chemical applications especially as substitutes for conventional volatile organic...

  12. Ionic liquid-nanoparticle hybrid electrolytes

    KAUST Repository

    Lu, Yingying; Moganty, Surya S.; Schaefer, Jennifer L.; Archer, Lynden A.

    2012-01-01

    We investigate physical and electrochemical properties of a family of organic-inorganic hybrid electrolytes based on the ionic liquid 1-methyl-3-propylimidazolium bis(trifluoromethanesulfone) imide covalently tethered to silica nanoparticles (SiO 2

  13. Ionic liquid-nanoparticle hybrid electrolytes

    KAUST Repository

    Lu, Yingying

    2012-01-01

    We investigate physical and electrochemical properties of a family of organic-inorganic hybrid electrolytes based on the ionic liquid 1-methyl-3-propylimidazolium bis(trifluoromethanesulfone) imide covalently tethered to silica nanoparticles (SiO 2-IL-TFSI). The ionic conductivity exhibits a pronounced maximum versus LiTFSI composition, and in mixtures containing 13.4 wt% LiTFSI, the room-temperature ionic conductivity is enhanced by over 3 orders of magnitude relative to either of the mixture components, without compromising lithium transference number. The SiO 2-IL-TFSI/LiTFSI hybrid electrolytes are thermally stable up to 400°C and exhibit tunable mechanical properties and attractive (4.25V) electrochemical stability in the presence of metallic lithium. We explain these observations in terms of ionic coupling between counterion species in the mobile and immobile (particle-tethered) phases of the electrolytes. © 2012 The Royal Society of Chemistry.

  14. Study of thioglycosylation in ionic liquids

    Directory of Open Access Journals (Sweden)

    Ragauskas Arthur

    2006-06-01

    Full Text Available Abstract A novel, green chemistry, glycosylation strategy was developed based upon the use of ionic liquids. Research studies demonstrated that thiomethyl glycosides could readily be activated with methyl trifluoromethane sulfonate, using 1-butyl-3-methylimidazolium tetrafluoroborate as a solvent. This green chemistry glycosylation strategy provided disaccharides with typical yields averaging 75%. The ionic liquid solvent could be readily reused for five sequential glycosylation reactions with no impact on product yield.

  15. Symmetric Imidazolium-Based Paramagnetic Ionic Liquids

    Science.gov (United States)

    2017-11-29

    Charts N/A Unclassified Unclassified Unclassified SAR 14 Kamran Ghiassi N/A 1 Symmetric Imidazolium-Based Paramagnetic Ionic Liquids Kevin T. Greeson...NUMBER (Include area code) 29 November 2017 Briefing Charts 01 November 2017 - 30 November 2017 Symmetric Imidazolium-Based Paramagnetic Ionic ... Liquids K. Greeson, K. Ghiassi, J. Alston, N. Redeker, J. Marcischak, L. Gilmore, A. Guenthner Air Force Research Laboratory (AFMC) AFRL/RQRP 9 Antares

  16. Ionic liquids in the synthesis of nanoobjects

    International Nuclear Information System (INIS)

    Tarasova, Natalia P; Smetannikov, Yurii V; Zanin, A A

    2010-01-01

    Data on the usage of the novel green solvents, ionic liquids, in the synthesis of nanoobjects and their stabilization are considered. The information is structured according to the resulting products of the synthetic processes: nanoparticles of noble metals, nanoparticles of non-metals, nanoparticles of metal oxides and chalcogenides, nanocomposites, and highly dispersed polymers. The conclusion is made that the ionic liquids might determine the structure and the properties of the nanoobjects, thus opening new fundamental and technological horizons in nanochemistry.

  17. Recent development of ionic liquid membranes

    OpenAIRE

    Wang, Junfeng; Luo, Jianquan; Feng, Shicao; Li, Haoran; Wan, Yinhua; Zhang, Xiangping

    2016-01-01

    The interest in ionic liquids (IL) is motivated by its unique properties, such as negligible vapor pressure, thermal stability, wide electrochemical stability window, and tunability of properties. ILs have been highlighted as solvents for liquidâliquid extraction and liquid membrane separation. To further expand its application in separation field, the ionic liquid membranes (ILMs) and its separation technology have been proposed and developed rapidly. This paper is to give a comprehensive ov...

  18. New electrolytes for aluminum production: Ionic liquids

    Science.gov (United States)

    Zhang, Mingming; Kamavarum, Venkat; Reddy, Ramana G.

    2003-11-01

    In this article, the reduction, refining/recycling, and electroplating of aluminum from room-temperature molten salts are reviewed. In addition, the characteristics of several non-conventional organic solvents, electrolytes, and molten salts are evaluated, and the applicability of these melts for production of aluminum is discussed with special attention to ionic liquids. Also reviewed are electrochemical processes and conditions for electrodeposition of aluminum using ionic liquids at near room temperatures.

  19. Ionic secondary emission SIMS principles and instrumentation

    International Nuclear Information System (INIS)

    Darque-Ceretti, E.; Migeon, H.N.; Aucouturier, M.

    1998-01-01

    The ionic analysis by secondary emission (SIMS) is one of material analysis based on the ions bombardment. That is micro-analysis method in taking into account that the dimensions of the analysed volume are under the micrometer. This paper details in a first part some ionic secondary emission principle to introduce a description of the instrumentation: microprobe, ions production, spectrometers. (A.L.B.)

  20. The Solubility Parameters of Ionic Liquids

    Science.gov (United States)

    Marciniak, Andrzej

    2010-01-01

    The Hildebrand’s solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vaporization of ionic liquids were estimated. PMID:20559495

  1. The Solubility Parameters of Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Andrzej Marciniak

    2010-04-01

    Full Text Available The Hildebrand’s solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vaporization of ionic liquids were estimated.

  2. Probing Lipid Bilayers under Ionic Imbalance.

    Science.gov (United States)

    Lin, Jiaqi; Alexander-Katz, Alfredo

    2016-12-06

    Biological membranes are normally under a resting transmembrane potential (TMP), which originates from the ionic imbalance between extracellular fluids and cytosols, and serves as electric power storage for cells. In cell electroporation, the ionic imbalance builds up a high TMP, resulting in the poration of cell membranes. However, the relationship between ionic imbalance and TMP is not clearly understood, and little is known about the effect of ionic imbalance on the structure and dynamics of biological membranes. In this study, we used coarse-grained molecular dynamics to characterize a dipalmitoylphosphatidylcholine bilayer system under ionic imbalances ranging from 0 to ∼0.06 e charges per lipid (e/Lip). We found that the TMP displayed three distinct regimes: 1) a linear regime between 0 and 0.045 e/Lip, where the TMP increased linearly with ionic imbalance; 2) a yielding regime between ∼0.045 and 0.060 e/Lip, where the TMP displayed a plateau; and 3) a poration regime above ∼0.060 e/Lip, where we observed pore formation within the sampling time (80 ns). We found no structural changes in the linear regime, apart from a nonlinear increase in the area per lipid, whereas in the yielding regime the bilayer exhibited substantial thinning, leading to an excess of water and Na + within the bilayer, as well as significant misalignment of the lipid tails. In the poration regime, lipid molecules diffused slightly faster. We also found that the fluid-to-gel phase transition temperature of the bilayer dropped below the normal value with increased ionic imbalances. Our results show that a high ionic imbalance can substantially alter the essential properties of the bilayer, making the bilayer more fluid like, or conversely, depolarization of a cell could in principle lead to membrane stiffening. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  3. Polarization versus Temperature in Pyridinium Ionic Liquids

    DEFF Research Database (Denmark)

    Chaban, V. V.; Prezhdo, O. V.

    2014-01-01

    Electronic polarization and charge transfer effects play a crucial role in thermodynamic, structural, and transport properties of room-temperature ionic liquids (RTILs). These nonadditive interactions constitute a useful tool for tuning physical chemical behavior of RTILs. Polarization and charge...... interactions changes negligibly between 300 and 900 K, while the average dipole moment increases due to thermal fluctuations of geometries. Our results contribute to the fundamental understanding of electronic effects in the condensed phase of ionic systems and foster progress in physical chemistry...

  4. Ionic liquid gel materials: applications in green and sustainable chemistry

    OpenAIRE

    Marr, Patricia C.; Marr, Andrew C.

    2016-01-01

    Ionic liquid gel materials offer a way to further utilise ionic liquids in technological applications. Combining the controlled and directed assembly of gels, with the diverse applications of ionic liquids, enables the design of a heady combination of functional tailored materials, leading to the development of task specific / functional ionic liquid gels. This review introduces gels and gel classification, focusing on ionic liquid gels and their potential roles in a more sustainable future. ...

  5. Task-specific ionic liquids for solubilizing metal compounds

    OpenAIRE

    Thijs, Ben

    2007-01-01

    The main goal of this PhD thesis was to design new task-specific ionic liquids with the ability to dissolve metal compounds. Despite the large quantity of papers published on ionic liquids, not much is known about the mechanisms of dissolving metals in ionic liquids or about metal-containing ionic liquids. Additionally, many of the commercially available ionic liquids exhibit a very limited solubilizing power for metal compounds, although this is for many applications like electrodeposition a...

  6. Fast Ignition and Sustained Combustion of Ionic Liquids

    Science.gov (United States)

    Joshi, Prakash B. (Inventor); Piper, Lawrence G. (Inventor); Oakes, David B. (Inventor); Sabourin, Justin L. (Inventor); Hicks, Adam J. (Inventor); Green, B. David (Inventor); Tsinberg, Anait (Inventor); Dokhan, Allan (Inventor)

    2016-01-01

    A catalyst free method of igniting an ionic liquid is provided. The method can include mixing a liquid hypergol with a HAN (Hydroxylammonium nitrate)-based ionic liquid to ignite the HAN-based ionic liquid in the absence of a catalyst. The HAN-based ionic liquid and the liquid hypergol can be injected into a combustion chamber. The HAN-based ionic liquid and the liquid hypergol can impinge upon a stagnation plate positioned at top portion of the combustion chamber.

  7. Controlling adsorption and passivation properties of bovine serum albumin on silica surfaces by ionic strength modulation and cross-linking.

    Science.gov (United States)

    Park, Jae Hyeon; Sut, Tun Naw; Jackman, Joshua A; Ferhan, Abdul Rahim; Yoon, Bo Kyeong; Cho, Nam-Joon

    2017-03-29

    Understanding the physicochemical factors that influence protein adsorption onto solid supports holds wide relevance for fundamental insights into protein structure and function as well as for applications such as surface passivation. Ionic strength is a key parameter that influences protein adsorption, although how its modulation might be utilized to prepare well-coated protein adlayers remains to be explored. Herein, we investigated how ionic strength can be utilized to control the adsorption and passivation properties of bovine serum albumin (BSA) on silica surfaces. As protein stability in solution can influence adsorption kinetics, the size distribution and secondary structure of proteins in solution were first characterized by dynamic light scattering (DLS), nanoparticle tracking analysis (NTA), and circular dichroism (CD) spectroscopy. A non-monotonic correlation between ionic strength and protein aggregation was observed and attributed to colloidal agglomeration, while the primarily α-helical character of the protein in solution was maintained in all cases. Quartz crystal microbalance-dissipation (QCM-D) experiments were then conducted in order to track protein adsorption onto silica surfaces as a function of ionic strength, and the measurement responses indicated that total protein uptake at saturation coverage is lower with increasing ionic strength. In turn, the QCM-D data and the corresponding Voigt-Voinova model analysis support that the surface area per bound protein molecule is greater with increasing ionic strength. While higher protein uptake under lower ionic strengths by itself did not result in greater surface passivation under subsequent physiologically relevant conditions, the treatment of adsorbed protein layers with a gluteraldehyde cross-linking agent stabilized the bound protein in this case and significantly improved surface passivation. Collectively, our findings demonstrate that ionic strength modulation influences BSA adsorption

  8. Magnetophotonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, M [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Fujikawa, R [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Baryshev, A [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Khanikaev, A [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Lim, P B [CREST, Japan Science and Technology Agency, Saitama 332-0012, Japan (Japan); Uchida, H [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Aktsipetrov, O [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Fedyanin, A [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Murzina, T [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Granovsky, A [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation)

    2006-04-21

    When the constitutive materials of photonic crystals (PCs) are magnetic, or even only a defect introduced in PCs is magnetic, the resultant PCs exhibit very unique optical and magneto-optical properties. The strong photon confinement in the vicinity of magnetic defects results in large enhancement in linear and nonlinear magneto-optical responses of the media. Novel functions, such as band Faraday effect, magnetic super-prism effect and non-reciprocal or magnetically controllable photonic band structure, are predicted to occur theoretically. All the unique features of the media arise from the existence of magnetization in media, and hence they are called magnetophotonic crystals providing the spin-dependent nature in PCs. (topical review)

  9. Magnetophotonic crystals

    International Nuclear Information System (INIS)

    Inoue, M; Fujikawa, R; Baryshev, A; Khanikaev, A; Lim, P B; Uchida, H; Aktsipetrov, O; Fedyanin, A; Murzina, T; Granovsky, A

    2006-01-01

    When the constitutive materials of photonic crystals (PCs) are magnetic, or even only a defect introduced in PCs is magnetic, the resultant PCs exhibit very unique optical and magneto-optical properties. The strong photon confinement in the vicinity of magnetic defects results in large enhancement in linear and nonlinear magneto-optical responses of the media. Novel functions, such as band Faraday effect, magnetic super-prism effect and non-reciprocal or magnetically controllable photonic band structure, are predicted to occur theoretically. All the unique features of the media arise from the existence of magnetization in media, and hence they are called magnetophotonic crystals providing the spin-dependent nature in PCs. (topical review)

  10. The structure of ionic liquids

    CERN Document Server

    Gontrani, Lorenzo

    2014-01-01

    This volume describes the most recent findings on the structure of ILs interpreted through cutting-edge experimental and theoretical methods. Research in the field of ionic liquids (ILs) keeps a fast and steady pace. Since these new-generation molten salts first appeared in the chemistry and physics landscape, a large number of new compounds has been synthesized. Most of them display unexpected behaviour and possess stunning properties. The coverage in this book ranges from the mesoscopic structure of ILs to their interaction with proteins. The reader will learn how diffraction techniques (small and large angle X-Ray and neutron scattering, powder methods), X-Ray absorption spectroscopies (EXAFS/XANES), optical methods (IR, RAMAN), NMR and calorimetric methods can help the study of ILs, both as neat liquids and in mixtures with other compounds. It will enable the reader to choose the best method to suit their experimental needs. A detailed survey of theoretical methods, both quantum-chemical and classical, ...

  11. Solid State Ionic Materials - Proceedings of the 4th Asian Conference on Solid State Ionics

    Science.gov (United States)

    Chowdari, B. V. R.; Yahaya, M.; Talib, I. A.; Salleh, M. M.

    1994-07-01

    The Table of Contents for the full book PDF is as follows: * Preface * I. INVITED PAPERS * Diffusion of Cations and Anions in Solid Electrolytes * Silver Ion Conductors in the Crystalline State * NMR Studies of Superionic Conductors * Hall Effect and Thermoelectric Power in High Tc Hg-Ba-Ca-Cu-O Ceramics * Solid Electrolyte Materials Prepared by Sol-Gel Chemistry * Preparation of Proton-Conducting Gel Films and their Application to Electrochromic Devices * Thin Film Fuel Cells * Zirconia based Solid Oxide Ion Conductors in Solid Oxide Fuel Cells * The Influence of Anion Substitution on Some Phosphate-based Ion Conducting Glasses * Lithium Intercalation in Carbon Electrodes and its Relevance in Rocking Chair Batteries * Chemical Sensors using Proton Conducting Ceramics * NMR/NQR Studies of Y-Ba-Cu-O Superconductors * Silver Molybdate Glasses and Battery Systems * New Highly Conducting Polymer Ionics and their Application in Electrochemical Devices * Study of Li Electrokinetics on Oligomeric Electrolytes using Microelectrodes * Calculation of Conductivity for Mixed-Phase Electrolytes PEO-MX-Immiscible Additive by Means of Effective Medium Theory * II. CONTRIBUTED PAPERS * Phase Relationship and Electrical Conductivity of Sr-V-O System with Vanadium Suboxide * Amorphous Li+ Ionic Conductors in Li2SO4-Li2O-P2O5 System * Fast Ion Transport in KCl-Al2O3 Composites * The Effect of the Second Phase Precipitation on the Ionic Conductivity of Zr0.85Mg0.15O1.85 * Conductivity Measurements and Phase Relationships in CaCl2-CaHCl Solid Electrolyte * Relationships Between Crystal Structure and Sodium Ion Conductivity in Na7Fe4(AsO4)6 and Na3Al2(AsO4)3 * Electrical Conductivity and Solubility Limit of Ti4+ Ion in Na1+x TiyZr2-ySixP3-xO12 System * Study on Sodium Fast Ion Conductors of Na1+3xAlxTi2-xSi2xP3-2xO12 System * Influences of Zirconia on the Properties of β''-Alumina Ceramics * Decay of Luminescence from Cr3+ Ions in β-Alumina * Lithium Ion Conductivity in the Li4XO4-Li2

  12. Kinetics and enthalpy of crystallization of uric acid dihydrate

    International Nuclear Information System (INIS)

    Sádovská, Galina; Honcová, Pavla; Sádovský, Zdeněk

    2013-01-01

    Highlights: • The kinetic constant and growth order of crystallization of uric acid dihydrate was calculated. • The equation describing first-order crystal growth was derived. • The enthalpy of crystallization of uric acid dihydrate was determined. - Abstract: The kinetics of crystallization of uric acid dihydrate in aqueous solution with a constant ionic strength 0.3 mol dm −3 NaCl and at thermodynamic and physiological temperature (25 and 37 °C) was studied using isoperibolic reaction twin calorimeter. The enthalpy of crystallization Δ cr H = −47.3 ± 0.9 and −46.2 ± 1.4 kJ mol −1 and kinetic constant k g = 2.0 × 10 −8 and 9.6 × 10 −8 m 4 s −1 mol −1 were determined at 25 and 37 °C, respectively

  13. Ionic liquids: differential scanning calorimetry as a new indirect method for determination of vaporization enthalpies.

    Science.gov (United States)

    Verevkin, Sergey P; Emel'yanenko, Vladimir N; Zaitsau, Dzmitry H; Ralys, Ricardas V; Schick, Christoph

    2012-04-12

    Differential scanning calorimetry (DSC) has been used to measure enthalpies of synthesis reactions of the 1-alkyl-3-methylimidazolium bromide [C(n)mim][Br] ionic liquids from 1-methylimidazole and n-alkyl bromides (with n = 4, 5, 6, 7, and 8). The optimal experimental conditions have been elaborated. Enthalpies of formation of these ionic liquids in the liquid state have been determined using the DSC results according to the Hess Law. The ideal-gas enthalpies of formation of [C(n)mim][Br] were calculated using the methods of quantum chemistry. They were used together with the DSC results to derive indirectly the enthalpies of vaporization of the ionic liquids under study. In order to validate the indirect determination, the experimental vaporization enthalpy of [C(4)mim][Br] was measured by using a quartz crystal microbalance (QCM). The combination of reaction enthalpy measurements by DSC with modern high-level first-principles calculations opens valuable indirect thermochemical options to obtain values of vaporization enthalpies of ionic liquids.

  14. Ionic liquid-modified metal sulfides/graphene oxide nanocomposites for photoelectric conversion

    International Nuclear Information System (INIS)

    Zhang, Yu; Zhang, Yù; Pei, Qi; Feng, Ting; Mao, Hui; Zhang, Wei; Wu, Shuyao; Liu, Daliang; Wang, Hongyu; Song, Xi-Ming

    2015-01-01

    Graphical abstract: - Highlights: • Metal sulfide (CdS, ZnS, Ag 2 S)/GO nanocomposites were prepared by electrostatic adherence. • Ionic liquid was used to link the metal sulfide and GO in the electrostatic adherence process. • The as-prepared samples showed enhanced photocurrent and highly efficient photocatalytic activity under visible light irradiation. - Abstract: Ionic liquid-modified metal sulfides/graphene oxide nanocomposites are prepared via a facile electrostatic adsorption. Ionic liquid (IL) is firstly used as surface modifier and structure-directing agent of metal sulfide (MS) crystallization process, obtaining ionic liquid modified-MS (IL-MS) nanoparticles with positive charges on surface. IL-MS/GO is obtained by electrostatic adherence between positively charged IL-MS and negatively charged graphene oxide (GO). The as-prepared sample shows enhanced photocurrent and highly efficient photocatalytic activity under visible light irradiation, indicating IL-MS/GO nanocomposites greatly promoted the separation of photogenerated electron–hole pairs

  15. Formation of co-crystals: Kinetic and thermodynamic aspects

    Science.gov (United States)

    Gagnière, E.; Mangin, D.; Puel, F.; Rivoire, A.; Monnier, O.; Garcia, E.; Klein, J. P.

    2009-04-01

    Co-crystallisation is a recent method of great interest for the pharmaceutical industry, since pharmaceutical co-crystals represent useful materials for drug products. In this study, an active pharmaceutical ingredient (carbamazepine (CBZ)) co-crystallized with a vitamin (nicotinamide (NCT)) was chosen as a model substance. This work was focused on the construction of a phase diagram for the system CBZ/NCT, split in six domains for kinetic reasons (the different solid phases which might appear during the crystallisation) and in four domains according to thermodynamic aspects (the stable final phase obtained). Although co-crystals are not ionic compounds, the supersaturation of co-crystals can be evaluated by considering the solubility product. Batch crystallisation operations were carried out in a stirred vessel equipped with an in situ video probe. This latter device was a powerful analysis tool to monitor the CBZ/NCT co-crystals and single CBZ crystals since these two crystalline phases grown in ethanol exhibited needle and platelet habits. As concerns kinetics, the different solid phases which might appear during the experiments were observed and competed against each others. In accordance with thermodynamics, the stable solid form was obtained at the end of the operation. Finally some preliminary results indicate that the nucleation of co-crystals may be favoured by the presence of CBZ crystals. Epitaxial relationships between CBZ/NCT co-crystals and CBZ crystals were suspected.

  16. Phase equilibrium and physical properties of biobased ionic liquid mixtures.

    Science.gov (United States)

    Toledo Hijo, Ariel A C; Maximo, Guilherme J; Cunha, Rosiane L; Fonseca, Felipe H S; Cardoso, Lisandro P; Pereira, Jorge F B; Costa, Mariana C; Batista, Eduardo A C; Meirelles, Antonio J A

    2018-02-28

    Protic ionic liquid crystals (PILCs) obtained from natural sources are promising compounds due to their peculiar properties and sustainable appeal. However, obtaining PILCs with higher thermal and mechanical stabilities for product and process design is in demand and studies on such approaches using this new IL generation are still scarce. In this context, this work discloses an alternative way for tuning the physicochemical properties of ILCs by mixing PILs. New binary mixtures of PILs derived from fatty acids and 2-hydroxy ethylamines have been synthesized here and investigated through the characterization of the solid-solid-[liquid crystal]-liquid thermodynamic equilibrium and their rheological and critical micellar concentration profiles. The mixtures presented a marked nonideal melting profile with the formation of solid solutions. This work revealed an improvement of the PILCs' properties based on a significant increase in the ILC temperature domain and the obtainment of more stable mesophases at high temperatures when compared to pure PILs. In addition, mixtures of PILs also showed significant changes in their non-Newtonian and viscosity profile up to 100 s -1 , as well as mechanical stability over a wide temperature range. The enhancement of the physicochemical properties of PILs here disclosed by such an approach leads to more new possibilities of their industrial application at high temperatures.

  17. Silica-grafted ionic liquids for revealing the respective charging behaviors of cations and anions in supercapacitors.

    Science.gov (United States)

    Dou, Qingyun; Liu, Lingyang; Yang, Bingjun; Lang, Junwei; Yan, Xingbin

    2017-12-19

    Supercapacitors based on activated carbon electrodes and ionic liquids as electrolytes are capable of storing charge through the electrosorption of ions on porous carbons and represent important energy storage devices with high power delivery/uptake. Various computational and instrumental methods have been developed to understand the ion storage behavior, however, techniques that can probe various cations and anions of ionic liquids separately remain lacking. Here, we report an approach to monitoring cations and anions independently by using silica nanoparticle-grafted ionic liquids, in which ions attaching to silica nanoparticle cannot access activated carbon pores upon charging, whereas free counter-ions can. Aided by this strategy, conventional electrochemical characterizations allow the direct measurement of the respective capacitance contributions and acting potential windows of different ions. Moreover, coupled with electrochemical quartz crystal microbalance, this method can provide unprecedented insight into the underlying electrochemistry.

  18. The use of ionic salt dyes as amorphous, thermally stable emitting layers in organic light-emitting diodes

    Science.gov (United States)

    Chondroudis, Konstantinos; Mitzi, David B.

    2000-01-01

    The conversion of two neutral dye molecules (D) to ionic salts (H2N-D-NH2ṡ2HX) and their utilization as emitting layers in organic light-emitting diodes (OLEDs) is described. The dye salts, AEQTṡ2HCl and APTṡ2HCl, can be deposited as amorphous films using conventional evaporation techniques. X-ray diffraction and scanning electron microscopy analysis, coupled with thermal annealing studies, demonstrate the resistance of the films to crystallization. This stability is attributed to strong ionic forces between the relatively rigid molecules. OLEDs incorporating such salts for emitting layers exhibit better thermal stability compared with devices made from the corresponding neutral dyes (H2N-D-NH2). These results suggest that ionic salts may more generally enable the formation of thermally stable, amorphous emitting, and charge transporting layers.

  19. Mechanical heterogeneity in ionic liquids

    Science.gov (United States)

    Veldhorst, Arno A.; Ribeiro, Mauro C. C.

    2018-05-01

    Molecular dynamics (MD) simulations of five ionic liquids based on 1-alkyl-3-methylimidazolium cations, [CnC1im]+, have been performed in order to calculate high-frequency elastic moduli and to evaluate heterogeneity of local elastic moduli. The MD simulations of [CnC1im][NO3], n = 2, 4, 6, and 8, assessed the effect of domain segregation when the alkyl chain length increases, and [C8C1im][PF6] assessed the effect of strength of anion-cation interaction. Dispersion curves of excitation energies of longitudinal and transverse acoustic, LA and TA, modes were obtained from time correlation functions of mass currents at different wavevectors. High-frequency sound velocity of LA modes depends on the alkyl chain length, but sound velocity for TA modes does not. High-frequency bulk and shear moduli, K∞ and G∞, depend on the alkyl chain length because of a density effect. Both K∞ and G∞ are strongly dependent on the anion. The calculation of local bulk and shear moduli was accomplished by performing bulk and shear deformations of the systems cooled to 0 K. The simulations showed a clear connection between structural and elastic modulus heterogeneities. The development of nano-heterogeneous structure with increasing length of the alkyl chain in [CnC1im][NO3] implies lower values for local bulk and shear moduli in the non-polar domains. The mean value and the standard deviations of distributions of local elastic moduli decrease when [NO3]- is replaced by the less coordinating [PF6]- anion.

  20. Ionic liquid processing of cellulose.

    Science.gov (United States)

    Wang, Hui; Gurau, Gabriela; Rogers, Robin D

    2012-02-21

    Utilization of natural polymers has attracted increasing attention because of the consumption and over-exploitation of non-renewable resources, such as coal and oil. The development of green processing of cellulose, the most abundant biorenewable material on Earth, is urgent from the viewpoints of both sustainability and environmental protection. The discovery of the dissolution of cellulose in ionic liquids (ILs, salts which melt below 100 °C) provides new opportunities for the processing of this biopolymer, however, many fundamental and practical questions need to be answered in order to determine if this will ultimately be a green or sustainable strategy. In this critical review, the open fundamental questions regarding the interactions of cellulose with both the IL cations and anions in the dissolution process are discussed. Investigations have shown that the interactions between the anion and cellulose play an important role in the solvation of cellulose, however, opinions on the role of the cation are conflicting. Some researchers have concluded that the cations are hydrogen bonding to this biopolymer, while others suggest they are not. Our review of the available data has led us to urge the use of more chemical units of solubility, such as 'g cellulose per mole of IL' or 'mol IL per mol hydroxyl in cellulose' to provide more consistency in data reporting and more insight into the dissolution mechanism. This review will also assess the greenness and sustainability of IL processing of biomass, where it would seem that the choices of cation and anion are critical not only to the science of the dissolution, but to the ultimate 'greenness' of any process (142 references).

  1. Ionic liquids behave as dilute electrolyte solutions

    Science.gov (United States)

    Gebbie, Matthew A.; Valtiner, Markus; Banquy, Xavier; Fox, Eric T.; Henderson, Wesley A.; Israelachvili, Jacob N.

    2013-01-01

    We combine direct surface force measurements with thermodynamic arguments to demonstrate that pure ionic liquids are expected to behave as dilute weak electrolyte solutions, with typical effective dissociated ion concentrations of less than 0.1% at room temperature. We performed equilibrium force–distance measurements across the common ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C4mim][NTf2]) using a surface forces apparatus with in situ electrochemical control and quantitatively modeled these measurements using the van der Waals and electrostatic double-layer forces of the Derjaguin–Landau–Verwey–Overbeek theory with an additive repulsive steric (entropic) ion–surface binding force. Our results indicate that ionic liquids screen charged surfaces through the formation of both bound (Stern) and diffuse electric double layers, where the diffuse double layer is comprised of effectively dissociated ionic liquid ions. Additionally, we used the energetics of thermally dissociating ions in a dielectric medium to quantitatively predict the equilibrium for the effective dissociation reaction of [C4mim][NTf2] ions, in excellent agreement with the measured Debye length. Our results clearly demonstrate that, outside of the bound double layer, most of the ions in [C4mim][NTf2] are not effectively dissociated and thus do not contribute to electrostatic screening. We also provide a general, molecular-scale framework for designing ionic liquids with significantly increased dissociated charge densities via judiciously balancing ion pair interactions with bulk dielectric properties. Our results clear up several inconsistencies that have hampered scientific progress in this important area and guide the rational design of unique, high–free-ion density ionic liquids and ionic liquid blends. PMID:23716690

  2. Green Imidazolium Ionics-From Truly Sustainable Reagents to Highly Functional Ionic Liquids.

    Science.gov (United States)

    Tröger-Müller, Steffen; Brandt, Jessica; Antonietti, Markus; Liedel, Clemens

    2017-09-04

    We report the synthesis of task-specific imidazolium ionic compounds and ionic liquids with key functionalities of organic molecules from electro-, polymer-, and coordination chemistry. Such products are highly functional and potentially suitable for technology applications even though they are formed without elaborate reactions and from cheap and potentially green reagents. We further demonstrate the versatility of the used synthetic approach by introducing different functional and green counterions to the formed ionic liquids directly during the synthesis or after metathesis reactions. The influence of different cation structures and different anions on the thermal and electrochemical properties of the resulting ionic liquids is discussed. Our goal is to make progress towards economically competitive and sustainable task-specific ionic liquids. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Crystallization of Zr2PdxCu1-x and Zr2NixCu1-x Metallic Glass

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Min [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    One interesting aspect of rretallic glasses is the numerous instances of the deviation of the phase selection from the amorphous state to thermodynamically stable phases during the crystallization process. Their devitrification pathways allow us to study the relationship between the original amorphous structure and their crystalline counter parts. Among the various factors of phase selections, size and electronic effects have been most extensively studied. Elucidating the phase selection process of a glassy alloy will be helpful to fill in the puzzle of the changes from disordered to ordered structures. In this thesis, Two model Zr2PdxCu1-x and Zr2NixCu1-x (x = 0, 0.25, 0.5, 0.75 and 1) glassy systems were investigated since: (1) All of the samples can be made into a homogenous metallic glass; (2) The atomic radii differ from Pd to Cu is by 11%, while Ni has nearly the identical atomic size compare to Cu. Moreover, Pd and Ni differ by only one valence electron from Cu. Thus, these systems are ideal to test the idea of the effects of electronic structure and size factors; (3) The small number of components in these pseudo binary systems readily lend themselves to theoretical modeling. Using high temperature X-ray diffraction (HTXRD) and thermal analysis, topological, size, electronic, bond and chemical distribution factors on crystallization selections in Zr2PdxCu1-x and Zr2NixCu1-x metallic glass have been explored. All Zr2PdxCu1-x compositions share the same Cu11b phase with different pathways of meta-stable, icosahedral quasicrystalline phase (i-phase), and C16 phase formations. The quasicrystal phase formation is topologically related to the increasing icosahedral short range order (SRO) with Pd content in Zr2PdxCu1-x system. Meta-stable C16 phase is competitive with

  4. Ionic liquid stationary phases for gas chromatography.

    Science.gov (United States)

    Poole, Colin F; Poole, Salwa K

    2011-04-01

    This article provides a summary of the development of ionic liquids as stationary phases for gas chromatography beginning with early work on packed columns that established details of the retention mechanism and established working methods to characterize selectivity differences compared with molecular stationary phases through the modern development of multi-centered cation and cross-linked ionic liquids for high-temperature applications in capillary gas chromatography. Since there are many reviews on ionic liquids dealing with all aspects of their chemical and physical properties, the emphasis in this article is placed on the role of gas chromatography played in the design of ionic liquids of low melting point, high thermal stability, high viscosity, and variable selectivity for separations. Ionic liquids provide unprecedented opportunities for extending the selectivity range and temperature-operating range of columns for gas chromatography, an area of separation science that has otherwise been almost stagnant for over a decade. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Solid state ionics: a Japan perspective

    Science.gov (United States)

    Yamamoto, Osamu

    2017-12-01

    The 70-year history of scientific endeavor of solid state ionics research in Japan is reviewed to show the contribution of Japanese scientists to the basic science of solid state ionics and its applications. The term 'solid state ionics' was defined by Takehiko Takahashi of Nagoya University, Japan: it refers to ions in solids, especially solids that exhibit high ionic conductivity at a fairly low temperature below their melting points. During the last few decades of exploration, many ion conducting solids have been discovered in Japan such as the copper-ion conductor Rb4Cu16I7Cl13, proton conductor SrCe1-xYxO3, oxide-ion conductor La0.9Sr0.9Ga0.9Mg0.1O3, and lithium-ion conductor Li10GeP2S12. Rb4Cu16I7Cl13 has a conductivity of 0.33 S cm-1 at 25 °C, which is the highest of all room temperature ion conductive solid electrolytes reported to date, and Li10GeP2S12 has a conductivity of 0.012 S cm-1 at 25 °C, which is the highest among lithium-ion conductors reported to date. Research on high-temperature proton conducting ceramics began in Japan. The history, the discovery of novel ionic conductors and the story behind them are summarized along with basic science and technology.

  6. Counterion-induced swelling of ionic microgels

    Science.gov (United States)

    Denton, Alan R.; Tang, Qiyun

    2016-10-01

    Ionic microgel particles, when dispersed in a solvent, swell to equilibrium sizes that are governed by a balance between electrostatic and elastic forces. Tuning of particle size by varying external stimuli, such as pH, salt concentration, and temperature, has relevance for drug delivery, microfluidics, and filtration. To model swelling of ionic microgels, we derive a statistical mechanical theorem, which proves exact within the cell model, for the electrostatic contribution to the osmotic pressure inside a permeable colloidal macroion. Applying the theorem, we demonstrate how the distribution of counterions within an ionic microgel determines the internal osmotic pressure. By combining the electrostatic pressure, which we compute via both Poisson-Boltzmann theory and molecular dynamics simulation, with the elastic pressure, modeled via the Flory-Rehner theory of swollen polymer networks, we show how deswelling of ionic microgels with increasing concentration of particles can result from a redistribution of counterions that reduces electrostatic pressure. A linearized approximation for the electrostatic pressure, which proves remarkably accurate, provides physical insight and greatly eases numerical calculations for practical applications. Comparing with experiments, we explain why soft particles in deionized suspensions deswell upon increasing concentration and why this effect may be suppressed at higher ionic strength. The failure of the uniform ideal-gas approximation to adequately account for counterion-induced deswelling below close packing of microgels is attributed to neglect of spatial variation of the counterion density profile and the electrostatic pressure of incompletely neutralized macroions.

  7. Photonic time crystals.

    Science.gov (United States)

    Zeng, Lunwu; Xu, Jin; Wang, Chengen; Zhang, Jianhua; Zhao, Yuting; Zeng, Jing; Song, Runxia

    2017-12-07

    When space (time) translation symmetry is spontaneously broken, the space crystal (time crystal) forms; when permittivity and permeability periodically vary with space (time), the photonic crystal (photonic time crystal) forms. We proposed the concept of photonic time crystal and rewritten the Maxwell's equations. Utilizing Finite Difference Time Domain (FDTD) method, we simulated electromagnetic wave propagation in photonic time crystal and photonic space-time crystal, the simulation results show that more intensive scatter fields can obtained in photonic time crystal and photonic space-time crystal.

  8. Ab-Initio analysis of TlBr: limiting the ionic current without degrading the electronic one

    Science.gov (United States)

    Rocha Leao, Cedric; Lordi, Vincenzo

    2011-03-01

    Although TlBr in principle presents all the theoretical requirements for making high resolution room temperature radiation detectors, practical applications of TlBr have proven to be nonviable due to the polarization that is observed in the crystal after relatively short periods of operation. This polarization, that is believed to be caused by accumulation of oppositely charged ionic species at the ends of the crystal, results in an electric field that opposes that of the applied bias, counter-acting its effect. In this work, we use state of the art quantum modeling to benchmark the theoretical limits for the performance of TlBr as a radiation detector, showing that the best experimental reports demonstrate near-ideal electronic characteristics. We then propose a model to inhibit the detrimental ionic current in the material without impacting the excellent properties of the electronic current. Prepared by LLNL under Contract DE-AC52-07NA27344.

  9. Crystal structures of MBi{sub 2}Br{sub 7} (M = Rb, Cs) - filled variants of AX{sub 7} sphere packing

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Jen-Hui; Wolff, Alexander [Fachrichtung Chemie und Lebensmittelchemie, Technische Universitaet Dresden, 01062 Dresden (Germany); Ruck, Michael [Fachrichtung Chemie und Lebensmittelchemie, Technische Universitaet Dresden, 01062 Dresden (Germany); Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany)

    2016-03-15

    The reinvestigation of the pseudo-binary systems MBr-BiBr{sub 3} (M = Rb, Cs) revealed two new phases with composition MBi{sub 2}Br{sub 7}. Both compounds are hygroscopic and show brilliant yellow color. The crystal structures were solved from X-ray single crystal diffraction data. The isostructural compounds adopt a new structure type in the triclinic space group P anti 1. The lattice parameters are a = 755.68(3) pm, b = 952.56(3) pm, c = 1044.00(4) pm, α = 76.400(2) , β = 84.590(2) , γ = 76.652(2) for RbBi{sub 2}Br{sub 7} and a = 758.71(5) pm, b = 958.23(7) pm, c = 1060.24(7) pm, α = 76.194(3) , β = 83.844(4) , γ = 76.338(3) for CsBi{sub 2}Br{sub 7}. The crystal structures consist of M{sup +} cations in anticuboctahedral coordination by bromide ions and bromidobismuthate(III) layers {sup 2}{sub ∞}[Bi{sub 2}Br{sub 7}]{sup -}. The 2D layers comprise pairs of BiBr{sub 6} octahedra sharing a common edge. The Bi{sub 2}Br{sub 10} double octahedra are further connected by common vertices. The bismuth(III) atoms increase their mutual distance in the double octahedra by off-centering so that the BiBr{sub 6} octahedra are distorted. The CsBi{sub 2}Br{sub 7} type can be interpreted as a common hexagonal close sphere packing of M and Br atoms, in which 1/4 of the octahedral voids are filled by Bi atoms. The structure type was systematically analyzed and compared with alternative types of common packings. The existence of a compound with the suggested composition CsBiBr{sub 4} could not be verified experimentally. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Thermophysical properties of hydroxyl ammonium ionic liquids

    International Nuclear Information System (INIS)

    Kurnia, K.A.; Wilfred, C.D.; Murugesan, T.

    2009-01-01

    The thermophysical properties of hydroxyl ammonium ionic liquids: density ρ, T = (293.15 to 363.15) K; dynamic viscosity η, T = (298.2 to 348.2) K; and refractive indices n D , T = (293.15 to 333.15) K have been measured. The coefficients of thermal expansion α, values were calculated from the experimental density results using an empirical correlation for T = (293.15 to 363.15) K. The variation of volume expansion of ionic liquids studied was found to be independent of temperature within the range covered in the present work. The thermal decomposition temperature 'T d ' for all the six hydroxyl ammonium ionic liquids is also investigated using thermogravimetric analyzer (TGA)

  11. Desulfurization of oxidized diesel using ionic liquids

    Science.gov (United States)

    Wilfred, Cecilia D.; Salleh, M. Zulhaziman M.; Mutalib, M. I. Abdul

    2014-10-01

    The extraction of oxidized sulfur compounds from diesel were carried out using ten types of ionic liquids consisting of different cation and anion i.e. 1-ethyl-3-methylimidazolium tetrafluoroborate, 1-butyl-3-methylimidazoium thiocyanate, 1-butyl-3-methylimidazoium dicyanamide, 1-butyl-3-methylimidazolium trifluoromethanesulfonate, 1-butyl-3-methylimidazoliumhexafluorophosphate, 1-hexyl-3-methylimidazolium trifluoromethanesulfonate, trioctylmethylammonium chloride, 1-propionitrile-3-butylimidazolium thiocyanate, 1-propionitrile-3-butylimidazolium dicyanamide and 1-butyl-6-methylquinolinium dicyanamide. The oxidation of diesel was successfully done using phosphotungstic acid as the catalyst, hydrogen peroxide (H2O2) as the oxidant and trioctylmethylammonium chloride as the phase transfer agent. The oxidation of diesel changes the sulfur compounds into sulfone which increases its polarity and enhances the ionic liquid's extraction performance. Result showed that ionic liquid [C4mquin][N(CN)2] performed the highest sulfur removal (91% at 1:5 diesel:IL ratio) compared to the others.

  12. Synthesis and characterization of new ionic liquids

    International Nuclear Information System (INIS)

    Oliveira, L.M.C. de; Mattedi, S.; Boaventura, J.S.; Iglesias, M.; Universidad de Santiago de Compostela

    2010-01-01

    In recent years, ionic liquids have been highlighted for its potential in various industrial applications. Among them, the salts of Broensted has a promising profile for the low toxicity, low cost and simple synthesis. This paper presents the synthesis and characterization of new salts of Bronsted with branched (lactate) or large chain anions (oleate) for future use as additives promoters of proton conductivity in fuel cells of ethanol. Experimental data were measured for density, sound velocity and conductivity of pure ionic liquids and mixtures. The density decreases linearly with increasing temperature, and sound velocity shows a similar trend, but not linear. The conductivity increases according to the Arrhenius model with activation energy less than 10 J/mol. Tests NMR, FTIR and TGA confirm ionic structure and thermal stability up to 165 deg C. (author)

  13. BWR radiation buildup control with ionic zinc

    International Nuclear Information System (INIS)

    Marble, W.J.; Wood, C.J.; Leighty, C.E.; Green, T.A.

    1986-01-01

    In 1983 a hypothesis was disclosed which suggested that the presence of ionic zinc in the reactor water of the BWR could reduce radiation buildup. This hypothesis was developed from correlations of plant data, and subsequently, from laboratory experiments which demonstrated clearly that ionic zinc inhibits the corrosion of stainless steel. The benefits of zinc addition have been measured at the Vallecitos Nuclear Center under and EPRI/GE project. Experimentation and analyses have been performed to evaluate the impact of intentional zinc addition on the IGSCC characteristics of primary system materials and on the performance of the nuclear fuel. It has been concluded that no negative effects are expected. The author conclude that the intentional addition of ionic zinc to the BWR reactor water at a concentration of approximately 10 ppb will provide major benefits in controlling the Co-60 buildup on primary system stainless steel surfaces. The intentional addition of zinc is now a qualified technique for use in BWRs

  14. Selective Ionic Transport Pathways in Phosphorene.

    Science.gov (United States)

    Nie, Anmin; Cheng, Yingchun; Ning, Shoucong; Foroozan, Tara; Yasaei, Poya; Li, Wen; Song, Boao; Yuan, Yifei; Chen, Lin; Salehi-Khojin, Amin; Mashayek, Farzad; Shahbazian-Yassar, Reza

    2016-04-13

    Despite many theoretical predictions indicating exceptionally low energy barriers of ionic transport in phosphorene, the ionic transport pathways in this two-dimensional (2D) material has not been experimentally demonstrated. Here, using in situ aberration-corrected transmission electron microscopy (TEM) and density functional theory, we studied sodium ion transport in phosphorene. Our high-resolution TEM imaging complemented by electron energy loss spectroscopy demonstrates a precise description of anisotropic sodium ions migration along the [100] direction in phosphorene. This work also provides new insight into the effect of surface and the edge sites on the transport properties of phosphorene. According to our observation, the sodium ion transport is preferred in zigzag edge rather than the armchair edge. The use of this highly selective ionic transport property may endow phosphorene with new functionalities for novel chemical device applications.

  15. Correlations between phase behaviors and ionic conductivities of (ionic liquid + alcohol) systems

    International Nuclear Information System (INIS)

    Park, Nam Ku; Bae, Young Chan

    2010-01-01

    To understand the basic properties of ionic liquids (ILs), we examined the phase behavior and ionic conductivity characteristics using various compositions of different ionic liquids (1-ethyl-3-methylimidazolium hexafluorophosphate [emim] [PF6] and 1-benzyl-3-methylimidazolium hexafluorophosphate [bzmim] [PF6]) in several different alcohols (ethanol, propanol, 1-butanol, 2-butanol, and hexanol). We conducted a systematic study of the impact of different factors on the phase behavior of imidazolium-based ionic liquids in alcohols. Using a new experimental method with a liquid electrolyte system, we observed that the ionic conductivity of the ionic liquid/alcohol was sensitive to the surrounding temperature. We employed Chang et al.'s thermodynamic model [Chang et al. (1997, 1998) ] based on the lattice model. The obtained co-ordinated unit parameter from this model was used to describe the phase behavior and ionic conductivities of the given system. Good agreement with experimental data of various alcohol and ILs systems was obtained in the range of interest.

  16. Improved ionic conductivity of lithium-zinc-tellurite glass-ceramic electrolytes

    Science.gov (United States)

    Widanarto, W.; Ramdhan, A. M.; Ghoshal, S. K.; Effendi, M.; Cahyanto, W. T.; Warsito

    An enhancement in the secondary battery safety demands the optimum synthesis of glass-ceramics electrolytes with modified ionic conductivity. To achieve improved ionic conductivity and safer operation of the battery, we synthesized Li2O included zinc-tellurite glass-ceramics based electrolytes of chemical composition (85-x)TeO2·xLi2O·15ZnO, where x = 0, 5, 10, 15 mol%. Samples were prepared using the melt quenching method at 800 °C followed by thermal annealing at 320 °C for 3 h and characterized. The effects of varying temperature, alternating current (AC) frequency and Li2O concentration on the structure and ionic conductivity of such glass-ceramics were determined. The SEM images of the annealed glass-ceramic electrolytes displayed rough surface with a uniform distribution of nucleated crystal flakes with sizes less than 1 μm. X-ray diffraction analysis confirmed the well crystalline nature of achieved electrolytes. Incorporation of Li2O in the electrolytes was found to generate some new crystalline phases including hexagonal Li6(TeO6), monoclinic Zn2Te3O8 and monoclinic Li2Te2O5. The estimated crystallite size of the electrolyte was ranged from ≈40 to 80 nm. AC impedance measurement revealed that the variation in the temperatures, Li2O contents, and high AC frequencies have a significant influence on the ionic conductivity of the electrolytes. Furthermore, electrolyte doped with 15 mol% of Li2O exhibited the optimum performance with an ionic conductivity ≈2.4 × 10-7 S cm-1 at the frequency of 54 Hz and in the temperature range of 323-473 K. This enhancement in the conductivity was attributed to the sizable alteration in the ions vibration and ruptures of covalent bonds in the electrolytes network structures.

  17. Thermoelectric Generators Based on Ionic Liquids

    Science.gov (United States)

    Laux, Edith; Uhl, Stefanie; Jeandupeux, Laure; López, Pilar Pérez; Sanglard, Pauline; Vanoli, Ennio; Marti, Roger; Keppner, Herbert

    2018-06-01

    Looking at energy harvesting using body or waste heat for portable electronic or on-board devices, Ionic liquids are interesting candidates as thermoactive materials in thermoelectric generators (TEGs) because of their outstanding properties. Two different kinds of ionic liquid, with alkylammonium and choline as cations, were studied, whereby different anions and redox couples were combined. This study focussed on the intention to find non-hazardous and environmentally friendly ionic liquids for TEGs to be selected among the thousands that can potentially be used. Seebeck coefficients (SEs) as high as - 15 mV/K were measured, in a particular case for an electrode temperature difference of 20 K. The bottleneck of our TEG device is still the abundance of negative SE liquids matching the internal resistance with the existing positive SE-liquids at series connections. In this paper, we show further progress in finding increased negative SE liquids. For current extraction from the TEG, the ionic liquid must be blended with a redox couple, allowing carrier exchange in a cyclic process under a voltage which is incuced by the asymmetry of the generator in terms of hot and cold electrodes. In our study, two types of redox pairs were tested. It was observed that a high SE of an ionic liquid/redox blend is not a sufficient condition for high power output. It appears that more complex effects between the ionic liquid and the electrode determine the magnitude of the final current/power output. The physico-chemical understanding of such a TEG cell is not yet available.

  18. Effect of ionic strength on the kinetics of ionic and micellar reactions in aqueous solution

    International Nuclear Information System (INIS)

    Dung, M.H.; Kozak, J.J.

    1982-01-01

    The effect of electrostatic forces on the rate of reaction between ions in aqueous solutions of intermediate ionic strength is studied in this paper. We consider the kinetics of reactions involving simple ionic species (1--1 and 2--2 electrolyte systems) as well as kinetic processes mediated by the presence of micellar ions (or other charged organizates). In the regime of ionic strength considered, dielectric saturation of the solvent in the vicinity of the reacting ions must be taken into account and this is done by introducing several models to describe the recovery of the solvent from saturation to its continuum dielectric behavior. To explore the effects of ion size, charge number, and ionic strength on the overall rate constant for the process considered, we couple the traditional theory of ionic reactions in aqueous solution with calculations of the electrostatic potential obtained via solution of the nonlinear Poisson--Boltzmann equation. The great flexibility of the nonlinear Poisson--Boltzmann theory allows us to explore quantitatively the influence of each of these effects, and our simulations show that the short-range properties of the electrostatic potential affect primarily kinetically controlled processes (to varying degrees, depending on the ionic system considered) whereas the down-range properties of the potential play a (somewhat) greater role in influencing diffusion-controlled processes. A detailed examination is made of ionic strength effects over a broad range of ionic concentrations. In the regime of low ionic strength, the limiting slope and intercept of the curve describing the dependence of log k/sub D/ on I/sup 1/2//(1+I/sup 1/2/) may differ considerably from the usual Debye--Hueckel limiting relations, depending on the particular model chosen to describe local saturation effects

  19. 3+ and [Sb13Se16Br2] 5+ - Double and quadruple spiro cubanes from ionic liquids

    KAUST Repository

    Ahmed, Ejaz; Breternitz, Joachim; Groh, Matthias Friedrich; Isaeva, Anna A.; Ruck, Michael J.

    2014-01-01

    The reaction of antimony and selenium in the bromine-rich Lewis acidic ionic liquid [BMIm]Br·4.7AlBr3 (BMIm: 1-butyl-3- methylimidazolium) in the presence of a small amount of NbCl5 at 160 °C yielded dark-red crystals of [Sb7Se8Br 2][AlX4]3. For X

  20. Computationally Efficient Prediction of Ionic Liquid Properties

    DEFF Research Database (Denmark)

    Chaban, V. V.; Prezhdo, O. V.

    2014-01-01

    Due to fundamental differences, room-temperature ionic liquids (RTIL) are significantly more viscous than conventional molecular liquids and require long simulation times. At the same time, RTILs remain in the liquid state over a much broader temperature range than the ordinary liquids. We exploit...... to ambient temperatures. We numerically prove the validity of the proposed concept for density and ionic diffusion of four different RTILs. This simple method enhances the computational efficiency of the existing simulation approaches as applied to RTILs by more than an order of magnitude....

  1. Steven's orbital reduction factor in ionic clusters

    Science.gov (United States)

    Gajek, Z.; Mulak, J.

    1985-11-01

    General expressions for reduction coefficients of matrix elements of angular momentum operator in ionic clusters or molecular systems have been derived. The reduction in this approach results from overlap and covalency effects and plays an important role in the reconciling of magnetic and spectroscopic experimental data. The formulated expressions make possible a phenomenological description of the effect with two independent parameters for typical equidistant clusters. Some detailed calculations also suggest the possibility of a one-parameter description. The results of these calculations for some ionic uranium compounds are presented as an example.

  2. Applications of ionic liquids in polymer science and technology

    CERN Document Server

    2015-01-01

    This book summarizes the latest knowledge in the science and technology of ionic liquids and polymers in different areas. Ionic liquids (IL) are actively being investigated in polymer science and technology for a number of different applications. In the first part of the book the authors present the particular properties of ionic liquids as speciality solvents. The state-of-the art in the use of ionic liquids in polymer synthesis and modification reactions including polymer recycling is outlined. The second part focuses on the use of ionic liquids as speciality additives such as plasticizers or antistatic agents.  The third part examines the use of ionic liquids in the design of functional polymers (usually called polymeric ionic liquids (PIL) or poly(ionic liquids)). Many important applications in diverse scientific and industrial areas rely on these polymers, like polymer electrolytes in electrochemical devices, building blocks in materials science, nanocomposites, gas membranes, innovative anion sensitive...

  3. Physical Chemistry of Reaction Dynamics in Ionic Liquid

    Energy Technology Data Exchange (ETDEWEB)

    Maroncelli, Mark [Pennsylvania State Univ., University Park, PA (United States)

    2016-10-02

    Work completed over the past year mainly involves finishing studies related to solvation dynamics in ionic liquids, amplifying and extending our initial PFG-NMR work on solute diffusion, and learning how to probe rotational dynamics in ionic liquids.

  4. Photonic Crystal Fibers

    National Research Council Canada - National Science Library

    Kristiansen, Rene E

    2005-01-01

    This report results from a contract tasking Crystal Fibre A/S as follows: Crystal Fibre will conduct research and development of large mode area, dual clad multi-core Yb-doped photonic crystal fiber...

  5. Ionic systems in materials research : new materials and processes based on ionic polymerizations and/or ionic liquids

    NARCIS (Netherlands)

    Guerrero-Sanchez, C.A.

    2007-01-01

    Systems based on ionic interactions are usually related to reversible processes and/or transitory chemical states and, nowadays, they are believed to be key factors for the understanding and for the development of processes in several branches of chemistry and materials research. During the last

  6. Instrinsic defect energies of lithium hydride and lithium deuteride crystals

    International Nuclear Information System (INIS)

    Pandey, R.; Stoneham, A.M.

    1985-01-01

    A theoretical study has been made of the defect structure of lithium hydride and lithium deuteride. A potential model is obtained describing the statics and dynamics of these crystals. Intrinsic defect energies are calculated using the Harwell HADES program which is based on a generalised Mott-Littleton method. The results are in good agreement with the experimental data, and suggest that the vacancy and interstitial migration mechanisms of anions and cations are all comparable in their contribution to ionic conduction. (author)

  7. Synthetic Organic Electrochemistry in Ionic Liquids: The Viscosity Question

    Directory of Open Access Journals (Sweden)

    Scott T. Handy

    2011-07-01

    Full Text Available Ionic liquids are obvious candidates for use in electrochemical applications due to their ionic character. Nevertheless, relatively little has been done to explore their application in electrosynthesis. We have studied the Shono oxidation of arylamines and carbamates using ionic liquids as recyclable solvents and have noted that the viscosity of the medium is a major problem, although with the addition of sufficient co-solvent, good results and excellent recovery and recycling of the ionic liquid can be achieved.

  8. Application of Ionic Liquids in Amperometric Gas Sensors.

    Science.gov (United States)

    Gębicki, Jacek; Kloskowski, Adam; Chrzanowski, Wojciech; Stepnowski, Piotr; Namiesnik, Jacek

    2016-01-01

    This article presents an analysis of available literature data on metrological parameters of the amperometric gas sensors containing ionic liquids as an electrolyte. Four mechanism types of signal generation in amperometric sensors with ionic liquid are described. Moreover, this article describes the influence of selected physico-chemical properties of the ionic liquids on the metrological parameters of these sensors. Some metrological parameters are also compared for amperometric sensors with GDE and SPE electrodes and with ionic liquids for selected analytes.

  9. Ionic Liquids as Extraction Media for Metal Ions

    Science.gov (United States)

    Hirayama, Naoki

    In solvent extraction separation of metal ions, recently, many researchers have investigated possible use of hydrophobic ionic liquids as extraction media instead of organic solvents. Ionic liquids are salts of liquid state around room temperature and can act not only as solvents but also as ion-exchangers. Therefore, the extraction mechanism of metal ions into ionic liquids is complicated. This review presents current overview and perspective on evaluation of nature of hydrophobic ionic liquids as extraction media for metal ions.

  10. Effect of Ionic Strength on Settling of Activated Sludge

    OpenAIRE

    M Ahmadi Moghadam, M Soheili, MM Esfahani

    2005-01-01

    Structural properties of activated sludge flocs were found to be sensitive to small changes in ionic strength. This study investigates the effect of ionic strength on settling of activated sludge. Samples were taken from activated sludge process of Ghazvin Sasan soft drink wastewater treatment plant, then treated with different ionic strengths of KCl and CaCl2 solution, after that the turbidity of supernatant was measured. The results indicated that low ionic strength resulted in a steeper sl...

  11. PEG-bis phosphonic acid based ionic supramolecular structures

    DEFF Research Database (Denmark)

    Gonzalez, Lidia; Skov, Anne Ladegaard; Hvilsted, Søren

    2014-01-01

    . The resulting ionic assemblies are very comprehensively characterized by ATR-FTIR, proton, and carbon-13 NMR spectroscopy that unequivocally demonstrate the ionic network formation through ammonium phophonates. The resulting salt and ionic networks are additionally analyzed by differential scanning calorimetry...... and thermogravimetric analysis. The conclusion is that mixing the virgin components at room temperature spontaneously form either a salt or ionic supramolecular networks. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim....

  12. Synthesis and crystal structure of a new N-(2,6-dichlorobenzoyl)-N',N''-bis(pyrrolidinyl)-phosphoric triamide as a carrier and competitive bulk liquid membrane transport of six metal cations

    Czech Academy of Sciences Publication Activity Database

    Khoshnood, R.S.; Pourayoubi, M.; Kasraee, F.; Toghraee, M.; Dušek, Michal; Bereciartua, P.J.

    2014-01-01

    Roč. 88, č. 12 (2014), s. 2146-2156 ISSN 0036-0244 Institutional support: RVO:68378271 Keywords : organic membrane * ionic transport * crystal structure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.562, year: 2014

  13. CuS nanoplates from ionic liquid precursors—Application in organic photovoltaic cells

    Science.gov (United States)

    Kim, Yohan; Heyne, Benjamin; Abouserie, Ahed; Pries, Christopher; Ippen, Christian; Günter, Christina; Taubert, Andreas; Wedel, Armin

    2018-05-01

    Hexagonal p-type semiconductor CuS nanoplates were synthesized via a hot injection method from bis(trimethylsilyl)sulfide and the ionic liquid precursor bis(N-dodecylpyridinium) tetrachloridocuprate(ii). The particles have a broad size distribution with diameters between 30 and 680 nm and well-developed crystal habits. The nanoplates were successfully incorporated into organic photovoltaic (OPV) cells as hole conduction materials. The power conversion efficiency of OPV cells fabricated with the nanoplates is 16% higher than that of a control device fabricated without the nanoplates.

  14. The A Priori Design and Selection of Ionic Liquids as Solvents for Active Pharmaceutical Ingredients

    DEFF Research Database (Denmark)

    Kunov-Kruse, Andreas Jonas; Weber, Cameron C.; Rogers, Robin D.

    2017-01-01

    In this paper we derive a straightforward computational approach to predict the optimal ionic liquid (IL) solvent for a given compound, based on COSMO-RS calculations. These calculations were performed on 18 different active pharmaceutical ingredients (APIs) using a matrix of 210 hypothetical ILs...... on the N-alkylguanidinium cation were prepared and characterized. The solubility of the APIs in each of these classes was found to be qualitatively consistent with the predictions of the COSMO-RS model. The suitability of these novel guanidinium salts as crystallization solvents was demonstrated by the use...

  15. Light emission from organic single crystals operated by electrolyte doping

    Science.gov (United States)

    Matsuki, Keiichiro; Sakanoue, Tomo; Yomogida, Yohei; Hotta, Shu; Takenobu, Taishi

    2018-03-01

    Light-emitting devices based on electrolytes, such as light-emitting electrochemical cells (LECs) and electric double-layer transistors (EDLTs), are solution-processable devices with a very simple structure. Therefore, it is necessary to apply this device structure into highly fluorescent organic materials for future printed applications. However, owing to compatibility problems between electrolytes and organic crystals, electrolyte-based single-crystal light-emitting devices have not yet been demonstrated. Here, we report on light-emitting devices based on organic single crystals and electrolytes. As the fluorescent materials, α,ω-bis(biphenylyl)terthiophene (BP3T) and 5,6,11,12-tetraphenylnaphthacene (rubrene) single crystals were selected. Using ionic liquids as electrolytes, we observed clear light emission from BP3T LECs and rubrene EDLTs.

  16. Ionic liquid containing hydroxamate and N-alkyl sulfamate ions

    Science.gov (United States)

    Friesen, Cody A.; Wolfe, Derek; Johnson, Paul Bryan

    2016-03-15

    Embodiments of the invention are related to ionic liquids and more specifically to ionic liquids used in electrochemical metal-air cells in which the ionic liquid includes a cation and an anion selected from hydroxamate and/or N-alkyl sulfamate anions.

  17. Supported ionic liquid-phase (SILP) catalysis

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Wasserscheid, P.

    2005-01-01

    The concept of supported ionic liquid-phase (SILP) catalysis has been demonstrated for gas- and liquid-phase continuous fixed-bed reactions using rhodium phosphine catalyzed hydroformylation of propene and 1-octene as examples. The nature of the support had important influence on both the catalytic...

  18. High H⁻ ionic conductivity in barium hydride.

    Science.gov (United States)

    Verbraeken, Maarten C; Cheung, Chaksum; Suard, Emmanuelle; Irvine, John T S

    2015-01-01

    With hydrogen being seen as a key renewable energy vector, the search for materials exhibiting fast hydrogen transport becomes ever more important. Not only do hydrogen storage materials require high mobility of hydrogen in the solid state, but the efficiency of electrochemical devices is also largely determined by fast ionic transport. Although the heavy alkaline-earth hydrides are of limited interest for their hydrogen storage potential, owing to low gravimetric densities, their ionic nature may prove useful in new electrochemical applications, especially as an ionically conducting electrolyte material. Here we show that barium hydride shows fast pure ionic transport of hydride ions (H(-)) in the high-temperature, high-symmetry phase. Although some conductivity studies have been reported on related materials previously, the nature of the charge carriers has not been determined. BaH2 gives rise to hydride ion conductivity of 0.2 S cm(-1) at 630 °C. This is an order of magnitude larger than that of state-of-the-art proton-conducting perovskites or oxide ion conductors at this temperature. These results suggest that the alkaline-earth hydrides form an important new family of materials, with potential use in a number of applications, such as separation membranes, electrochemical reactors and so on.

  19. Ionic liquid based multifunctional double network gel

    Science.gov (United States)

    Ahmed, Kumkum; Higashihara, Tomoya; Arafune, Hiroyuki; Kamijo, Toshio; Morinaga, Takashi; Sato, Takaya; Furukawa, Hidemitsu

    2015-04-01

    Gels are a promising class of soft and wet materials with diverse application in tissue engineering and bio-medical purpose. In order to accelerate the development of gels, it is required to synthesize multi-functional gels of high mechanical strength, ultra low surface friction and suitable elastic modulus with a variety of methods and new materials. Among many types of gel ionic gel made from ionic liquids (ILs) could be used for diverse applications in electrochemical devices and in the field of tribology. IL, a promising materials for lubrication, is a salt with a melting point lower than 100 °C. As a lubricant, ILs are characterized by an extremely low vapor pressure, high thermal stability and high ion conductivity. In this work a novel approach of making double network DN ionic gel using IL has been made utilizing photo polymerization process. A hydrophobic monomer Methyl methacrylate (MMA) has been used as a first network and a hydrophobic IL monomer, N,N-diethyl-N-(2-mthacryloylethyl)-N-methylammonium bistrifluoromethylsulfonyl)imide (DEMM-TFSI) has been used as a second network using photo initiator benzophenon and crosslinker triethylene glycol dimethacrylate (TEGDMA). The resulting DN ionic gel shows transparency, flexibility, high thermal stability, good mechanical toughness and low friction coefficient value which can be a potential candidate as a gel slider in different mechanical devices and can open a new area in the field of gel tribology.

  20. SANS analysis of aqueous ionic perfluoropolyether micelles

    CERN Document Server

    Gambi, C M C; Chittofrati, A; Pieri, R; Baglioni, P; Teixeira, J

    2002-01-01

    Preliminary SANS results of ionic chlorine terminated perfluoropolyether micelles in water are given. The experimental spectra have been analyzed by a two-shell ellipsoidal model for the micellar form factor and a screened Coulombic plus hard-sphere repulsion potential for the structure factor. (orig.)

  1. Tilts and Ionic Shifts in Rhombohedral Perovskites

    NARCIS (Netherlands)

    Noheda, Beatriz; Duan, Ning; Cereceda, Noé; Gonzalo, Julio A.

    1998-01-01

    We make a comparative analysis of rhombohedral perovskites (ABO3) with/without oxygen rotations and ionic shifts, within the framework of a generalised effective field approach. We analyse available data on LaAlO3 and LiTaO3 and new data on Zr-rich PZT, examples of three different ways of structural

  2. Mechanistic aspects of ionic reactions in flames

    DEFF Research Database (Denmark)

    Egsgaard, H.; Carlsen, L.

    1993-01-01

    Some fundamentals of the ion chemistry of flames are summarized. Mechanistic aspects of ionic reactions in flames have been studied using a VG PlasmaQuad, the ICP-system being substituted by a simple quartz burner. Simple hydrocarbon flames as well as sulfur-containing flames have been investigated...

  3. Desalination of aqueous media using ionic liquids

    NARCIS (Netherlands)

    2014-01-01

    The present invention relates to a method for extracting metal and/or metalloid ions from an aqueous medium, comprising the steps of: a) mixing the aqueous medium with an ionic liquid comprising an aliphatic carboxylate anion having at least one unsaturated carbon-carbon bond, or and/or with a

  4. Analysis of ionic conductance of carbon nanotubes

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Bazant, M.Z.

    2016-01-01

    We use space-charge (SC) theory (also called the capillary pore model) to describe the ionic conductance, G, of charged carbon nanotubes (CNTs). Based on the reversible adsorption of hydroxyl ions to CNT pore walls, we use a Langmuir isotherm for surface ionization and make calculations as a

  5. Vaporisation of a dicationic ionic liquid.

    Science.gov (United States)

    Lovelock, Kevin R J; Deyko, Alexey; Corfield, Jo-Anne; Gooden, Peter N; Licence, Peter; Jones, Robert G

    2009-02-02

    Highest heat of vaporization yet: The dicationic ionic liquid [C(3)(C(1)Im)(2)][Tf(2)N](2) evaporates as a neutral ion triplet. These neutral ion triplets can then be ionised to form singly and doubly charged ions. The mass spectrum exhibits the dication attached to one remaining anion, and the naked dication itself (see picture).

  6. VOC and HAP recovery using ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Michael R. Milota : Kaichang Li

    2007-05-29

    During the manufacture of wood composites, paper, and to a lesser extent, lumber, large amounts of volatile organic compounds (VOCs) such as terpenes, formaldehyde, and methanol are emitted to air. Some of these compounds are hazardous air pollutants (HAPs). The air pollutants produced in the forest products industry are difficult to manage because the concentrations are very low. Presently, regenerative thermal oxidizers (RTOs and RCOs) are commonly used for the destruction of VOCs and HAPs. RTOs consume large amounts of natural gas to heat air and moisture. The combustion of natural gas generates increased CO2 and NOx, which have negative implications for global warming and air quality. The aforementioned problems are addressed by an absorption system containing a room-temperature ionic liquid (RTIL) as an absorbent. RTILs are salts, but are in liquid states at room temperature. RTILs, an emerging technology, are receiving much attention as replacements for organic solvents in industrial processes with significant cost and environmental benefits. Some of these processes include organic synthesis, extraction, and metal deposition. RTILs would be excellent absorbents for exhausts from wood products facilities because of their unique properties: no measurable vapor pressure, high solubility of wide range of organic compounds, thermal stability to 200°C (almost 400°F), and immisciblity with water. Room temperature ionic liquids were tested as possible absorbents. Four were imidizolium-based and were eight phosphonium-based. The imidizolium-based ionic liquids proved to be unstable at the conditions tested and in the presence of water. The phosphonium-based ionic liquids were stable. Most were good absorbents; however, cleaning the contaminates from the ionic liquids was problematic. This was overcome with a higher temperature (120°C) than originally proposed and a very low pressure (1 kPa. Absorption trials were conducted with tetradecy

  7. Ionic conductivity of ternary electrolyte containing sodium salt and ionic liquid

    International Nuclear Information System (INIS)

    Egashira, Minato; Asai, Takahito; Yoshimoto, Nobuko; Morita, Masayuki

    2011-01-01

    Highlights: ► Ternary electrolyte containing NaBF 4 , polyether and ionic liquid has been prepared. ► The conductivity of the electrolytes has been evaluated toward content of ionic liquid. ► The conductivity shows maximum 1.2 mS cm −1 and is varied in relation to solution structure. - Abstract: For the development of novel non-aqueous sodium ion conductor with safety of sodium secondary cell, non-flammable ionic liquid is attractive as electrolyte component. A preliminary study has been carried out for the purpose of constructing sodium ion conducting electrolyte based on ionic liquid. The solubility of sodium salt such as NaBF 4 in ionic liquid is poor, thus the ternary electrolyte has been prepared where NaBF 4 with poly(ethylene glycol) dimethyl ether (PEGDME) as coordination former is dissolved with ionic liquid diethyl methoxyethyl ammonium tetrafluoroborate (DEMEBF 4 ). The maximum conductivity among the prepared solutions, ca. 1.2 mS cm −1 at 25 °C, was obtained when the molar ratio (ethylene oxide unit in PEGDME):NaBF 4 :DEMEBF 4 was 8:1:2. The relationship between the conductivity of the ternary electrolyte and its solution structure has been discussed.

  8. The shape-memory effect in ionic elastomers: fixation through ionic interactions.

    Science.gov (United States)

    González-Jiménez, Antonio; Malmierca, Marta A; Bernal-Ortega, Pilar; Posadas, Pilar; Pérez-Aparicio, Roberto; Marcos-Fernández, Ángel; Mather, Patrick T; Valentín, Juan L

    2017-04-19

    Shape-memory elastomers based on a commercial rubber cross-linked by both ionic and covalent bonds have been developed. The elastomeric matrix was a carboxylated nitrile rubber (XNBR) vulcanized with magnesium oxide (MgO) providing ionic interactions that form hierarchical structures. The so-named ionic transition is used as the unique thermal transition responsible for the shape-memory effect (SME) in these elastomers. These ionic interactions fix the temporary shape due to their behavior as dynamic cross-links with temperature changes. Covalent cross-links were incorporated with the addition of different proportions of dicumyl peroxide (DCP) to the ionic elastomer to establish and recover the permanent shape. In this article, the SME was modulated by modifying the degree of covalent cross-linking, while keeping the ionic contribution constant. In addition, different programming parameters, such as deformation temperature, heating/cooling rate, loading/unloading rate and percentage of tensile strain, were evaluated for their effects on shape-memory behavior.

  9. Comparative Investigation of the Ionicity of Aprotic and Protic Ionic Liquids in Molecular Solvents by using Conductometry and NMR Spectroscopy.

    Science.gov (United States)

    Thawarkar, Sachin; Khupse, Nageshwar D; Kumar, Anil

    2016-04-04

    Electrical conductivity (σ), viscosity (η), and self-diffusion coefficient (D) measurements of binary mixtures of aprotic and protic imidazolium-based ionic liquids with water, dimethyl sulfoxide, and ethylene glycol were measured from 293.15 to 323.15 K. The temperature dependence study reveals typical Arrhenius behavior. The ionicities of aprotic ionic liquids were observed to be higher than those of protic ionic liquids in these solvents. The aprotic ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate, [bmIm][BF4 ], displays 100 % ionicity in both water and ethylene glycol. The protic ionic liquids in both water and ethylene glycol are classed as good ionic candidates, whereas in DMSO they are classed as having a poor ionic nature. The solvation dynamics of the ionic species of the ionic liquids are illustrated on the basis of the (1) H NMR chemical shifts of the ionic liquids. The self-diffusion coefficients D of the cation and anion of [HmIm][CH3 COO] in D2 O and in [D6 ]DMSO are determined by using (1) H nuclei with pulsed field gradient spin-echo NMR spectroscopy. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Ionic thermocurrents and ionic conductivity of solid solutions of SrF2 and YbF3

    NARCIS (Netherlands)

    Meuldijk, J.; Hartog, den H.W.

    1983-01-01

    We report dielectric [ionic thermocurrent (!TC)] experiments and ionic conductivity of cubic solid solutions of the type Sr1-xYbxF2+x. These combined experiments provide us with new information concerning the ionic conductivity mechanisms which play an important role in solid solutions Sr1-xRxF2+x

  11. Effects of ionic liquid to water ratio as a composite medium for the synthesis of LiFePO4 for battery

    Science.gov (United States)

    Tith, Rany; Dutta, Jaydeep; Jung, Kichang; Martinez-Morales, Alfredo A.

    2017-05-01

    LiFePO4 is a highly researched cathode material that serves as an alternative material for traditional commercial lithiumion batteries such as LiCoO2. Currently, there are a number of different methods to synthesize LiFePO4 including: hydrothermal, solid state, spray pyrolysis, and coprecipitation. Our proposed method has the potential to provide an ecologically friendly and economically competitive way to synthesize LiFePO4 by utilizing ionic liquid and water, as a composite synthesis medium. The addition of water to ionic liquid can be beneficial as it can act as a mineralizer to bring insoluble precursors to form LiFePO4 seed crystals. Furthermore, this method provides the possibility of recycling the ionic liquid for repeated synthesis processes. In this work, we study the effects of ionic liquid to water ratio on the crystallinity and morphology of the synthesized material. Our group was able to conclude a reaction medium utilizing a ratio of equal parts of 1-ethyl-3-methyl imidazolium trifluoromethane sulfonate (EMIM Otf) and water, or a slightly favored ionic liquid ratio, increases the efficacy of the synthesis route. Crystallinity and purity was determined by X-ray diffraction (XRD), scanning electron microscopy (SEM) was used to determine morphology and crystal sizes, and energy dispersion spectroscopy (EDX) was used for elemental analysis.

  12. Phase Behavior of Mixtures of Ionic Liquids and Organic Solvents

    DEFF Research Database (Denmark)

    Abildskov, Jens; Ellegaard, Martin Dela; O’Connell, J.P.

    2010-01-01

    A corresponding-states form of the generalized van der Waals equation, previously developed for mixtures of an ionic liquid and a supercritical solute, is here extended to mixtures including an ionic liquid and a solvent (water or organic). Group contributions to characteristic parameters...... are implemented, leading to an entirely predictive method for densities of mixed compressed ionic liquids. Quantitative agreement with experimental data is obtained over wide ranges of conditions. Previously, the method has been applied to solubilities of sparingly soluble gases in ionic liquids and in organic...... solvents. Here we show results for heavier and more-than-sparingly solutes such as carbon dioxide and propane in ionic liquids....

  13. Supported ionic liquids: versatile reaction and separation media

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco

    2006-01-01

    The latest developments in supported ionic liquid phase (SILP) systems for catalysis and separation technology are surveyed. The SILP concept combines the advantages of homogeneous catalysis with heterogeneous process technology, and a variety of reactions have been studied where supported ionic ...... liquid catalysts proved to be more active and selective than common systems. In separation applications the use of supported ionic liquids can facilitate selective transport of substrates across membranes.......The latest developments in supported ionic liquid phase (SILP) systems for catalysis and separation technology are surveyed. The SILP concept combines the advantages of homogeneous catalysis with heterogeneous process technology, and a variety of reactions have been studied where supported ionic...

  14. Electron ion interactions in crystal channels: Collisions in ultra-dense electron media

    International Nuclear Information System (INIS)

    Datz, S.; Dittner, P.F.; Gomez del Campo, J.; Krause, H.F.; Rosseel, T.M.; Vane, C.R.

    1990-01-01

    Dielectronic excitation of H-like S, Ca and Ti is shown to occur in the dense electron gas of a crystal channel. Cross sections for collisional ionization of the short lived excited states can then be determined. Ionic excitation can also be achieved by resonant coherent excitation in which case specific m states can be excited for further study. 12 refs., 8 figs

  15. Study of effect of quenching and deformation on KCl: Gd crystals by ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. The study of ionic conductivity vs reciprocal temperature of pure KCl and KCl crystal doped with. 0⋅1, 0⋅3 and 0⋅5 mole% gadolinium has been carried out in as grown, quenched from elevated temperatures. (100, 350 and 500°C) and annealed at various timings i.e. 2–3 h and deformed by different percentages.

  16. Crystalline polymorphism induced by charge regulation in ionic membranes.

    Science.gov (United States)

    Leung, Cheuk-Yui; Palmer, Liam C; Kewalramani, Sumit; Qiao, Baofu; Stupp, Samuel I; Olvera de la Cruz, Monica; Bedzyk, Michael J

    2013-10-08

    The crystallization of molecules with polar and hydrophobic groups, such as ionic amphiphiles and proteins, is of paramount importance in biology and biotechnology. By coassembling dilysine (+2) and carboxylate (-1) amphiphiles of various tail lengths into bilayer membranes at different pH values, we show that the 2D crystallization process in amphiphile membranes can be controlled by modifying the competition of long-range and short-range interactions among the polar and the hydrophobic groups. The pH and the hydrophobic tail length modify the intermolecular packing and the symmetry of their crystalline phase. For hydrophobic tail lengths of 14 carbons (C14), we observe the coassembly into crystalline bilayers with hexagonal molecular ordering via in situ small- and wide-angle X-ray scattering. As the tail length increases, the hexagonal lattice spacing decreases due to an increase in van der Waals interactions, as demonstrated by atomistic molecular dynamics simulations. For C16 and C18 we observe a reentrant crystalline phase transition sequence, hexagonal-rectangular-C-rectangular-P-rectangular-C-hexagonal, as the solution pH is increased from 3 to 10.5. The stability of the rectangular phases, which maximize tail packing, increases with increasing tail length. As a result, for very long tails (C22), the possibility of observing packing symmetries other than rectangular-C phases diminishes. Our work demonstrates that it is possible to systematically exchange chemical and mechanical energy by changing the solution pH value within a range of physiological conditions at room temperature in bilayers of molecules with ionizable groups.

  17. Structure, ionic Conductivity and mobile Carrier Density in Fast Ionic Conducting Chalcogenide Glasses

    International Nuclear Information System (INIS)

    Wenlong Yao

    2006-01-01

    This thesis consists of six sections. The first section gives the basic research background on the ionic conduction mechanism in glass, polarization in the glass, and the method of determining the mobile carrier density in glass. The proposed work is also included in this section. The second section is a paper that characterizes the structure of MI + M 2 S + (0.1 Ga 2 S 3 + 0.9 GeS 2 ) (M = Li, Na, K and Cs) glasses using Raman and IR spectroscopy. Since the ionic radius plays an important role in determining the ionic conductivity in glasses, the glass forming range for the addition of different alkalis into the basic glass forming system 0.1 Ga 2 S 3 + 0.9 GeS 2 was studied. The study found that the change of the alkali radius for the same nominal composition causes significant structure change to the glasses. The third section is a paper that investigates the ionic conductivity of MI + M 2 S + (0.1Ga 2 S 3 + 0.9 GeS 2 ) (M = Li, Na, K and Cs) glasses system. Corresponding to the compositional changes in these fast ionic conducting glasses, the ionic conductivity shows changes due to the induced structural changes. The ionic radius effect on the ionic conductivity in these glasses was investigated. The fourth section is a paper that examines the mobile carrier density based upon the measurements of space charge polarization. For the first time, the charge carrier number density in fast ionic conducting chalcogenide glasses was determined. The experimental impedance data were fitted using equivalent circuits and the obtained parameters were used to determine the mobile carrier density. The influence of mobile carrier density and mobility on the ionic conductivity was separated. The fifth section is a paper that studies the structures of low-alkali-content Na 2 S + B 2 S 3 (x (le) 0.2) glasses by neutron and synchrotron x-ray diffraction. Similar results were obtained both in neutron and synchrotron x-ray diffraction experiments. The results provide direct

  18. Interactions in ion pairs of protic ionic liquids: Comparison with aprotic ionic liquids

    International Nuclear Information System (INIS)

    Tsuzuki, Seiji; Shinoda, Wataru; Miran, Md. Shah; Kinoshita, Hiroshi; Yasuda, Tomohiro; Watanabe, Masayoshi

    2013-01-01

    The stabilization energies for the formation (E form ) of 11 ion pairs of protic and aprotic ionic liquids were studied by MP2/6-311G ** level ab initio calculations to elucidate the difference between the interactions of ions in protic ionic liquids and those in aprotic ionic liquids. The interactions in the ion pairs of protic ionic liquids (diethylmethylammonium [dema] and dimethylpropylammonium [dmpa] based ionic liquids) are stronger than those of aprotic ionic liquids (ethyltrimethylammonium [etma] based ionic liquids). The E form for the [dema][CF 3 SO 3 ] and [dmpa][CF 3 SO 3 ] complexes (−95.6 and −96.4 kcal/mol, respectively) are significantly larger (more negative) than that for the [etma][CF 3 SO 3 ] complex (−81.0 kcal/mol). The same trend was observed for the calculations of ion pairs of the three cations with the Cl − , BF 4 − , TFSA − anions. The anion has contact with the N–H bond of the dema + or dmpa + cations in the most stable geometries of the dema + and dmpa + complexes. The optimized geometries, in which the anions locate on the counter side of the cations, are 11.0–18.0 kcal/mol less stable, which shows that the interactions in the ions pairs of protic ionic liquids have strong directionality. The E form for the less stable geometries for the dema + and dmpa + complexes are close to those for the most stable etma + complexes. The electrostatic interaction, which is the major source of the attraction in the ion pairs, is responsible for the directionality of the interactions and determining the magnitude of the interaction energy. Molecular dynamic simulations of the [dema][TFSA] and [dmpa][TFSA] ionic liquids show that the N–H bonds of the cations have contact with the negatively charged (oxygen and nitrogen) atoms of TFSA − anion, while the strong directionality of the interactions was not suggested from the simulation of the [etma][CF 3 SO 3 ] ionic liquid

  19. Structure, ionic conductivity and mobile carrier density in fast ionic conducting chalcogenide glasses

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Wenlong [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    This thesis consists of six sections. The first section gives the basic research background on the ionic conduction mechanism in glass, polarization in the glass, and the method of determining the mobile carrier density in glass. The proposed work is also included in this section. The second section is a paper that characterizes the structure of MI + M2S + (0.1 Ga2S3 + 0.9 GeS2) (M = Li, Na, K and Cs) glasses using Raman and IR spectroscopy. Since the ionic radius plays an important role in determining the ionic conductivity in glasses, the glass forming range for the addition of different alkalis into the basic glass forming system 0.1 Ga2S3 + 0.9 GeS2 was studied. The study found that the change of the alkali radius for the same nominal composition causes significant structure change to the glasses. The third section is a paper that investigates the ionic conductivity of MI + M2S + (0.1Ga2S3 + 0.9 GeS2) (M = Li, Na, K and Cs) glasses system. Corresponding to the compositional changes in these fast ionic conducting glasses, the ionic conductivity shows changes due to the induced structural changes. The ionic radius effect on the ionic conductivity in these glasses was investigated. The fourth section is a paper that examines the mobile carrier density based upon the measurements of space charge polarization. For the first time, the charge carrier number density in fast ionic conducting chalcogenide glasses was determined. The experimental impedance data were fitted using equivalent circuits and the obtained parameters were used to determine the mobile carrier density. The influence of mobile carrier density and mobility on the ionic conductivity was separated. The fifth section is a paper that studies the structures of low-alkali-content Na2S + B2S3 (x ≤ 0.2) glasses by neutron and synchrotron x-ray diffraction

  20. Active chemisorption sites in functionalized ionic liquids for carbon capture.

    Science.gov (United States)

    Cui, Guokai; Wang, Jianji; Zhang, Suojiang

    2016-07-25

    Development of novel technologies for the efficient and reversible capture of CO2 is highly desired. In the last decade, CO2 capture using ionic liquids has attracted intensive attention from both academia and industry, and has been recognized as a very promising technology. Recently, a new approach has been developed for highly efficient capture of CO2 by site-containing ionic liquids through chemical interaction. This perspective review focuses on the recent advances in the chemical absorption of CO2 using site-containing ionic liquids, such as amino-based ionic liquids, azolate ionic liquids, phenolate ionic liquids, dual-functionalized ionic liquids, pyridine-containing ionic liquids and so on. Other site-containing liquid absorbents such as amine-based solutions, switchable solvents, and functionalized ionic liquid-amine blends are also investigated. Strategies have been discussed for how to activate the existent reactive sites and develop novel reactive sites by physical and chemical methods to enhance CO2 absorption capacity and reduce absorption enthalpy. The carbon capture mechanisms of these site-containing liquid absorbents are also presented. Particular attention has been paid to the latest progress in CO2 capture in multiple-site interactions by amino-free anion-functionalized ionic liquids. In the last section, future directions and prospects for carbon capture by site-containing ionic liquids are outlined.

  1. Hydrogen production from glucose in ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Assenbaum, D.W.; Taccardi, N.; Berger, M.E.M.; Boesmann, A.; Enzenberger, F.; Woelfel, R.; Wasserscheid, P. [Erlangen-Nuernberg Univ. (Germany). Lehrstuhl fuer chemische Reaktionstechnik

    2010-07-01

    technologies suffer from the fact that the overall reaction rates are often restricted by mass and heat transport problems. Lastly, there are severe limitations concerning the feedstock selection as for some important substrates, such as e.g. glucose, the process can only be operated in very diluted systems to avoid rapid tar formation [22,23,24]. In this contribution we describe for the first time a catalytic reaction system producing hydrogen from glucose in astonishingly high selectivities using a single reaction step under very mild conditions. The catalytic reaction system is characterized by its homogeneous nature and comprises a Ru-complex catalyst dissolved and stabilized in an ionic liquid medium. Ionic liquids are salts of melting points below 100 C [25]. These liquid materials have attracted much interest in the last decade as solvents for catalytic reactions [26] and separation technologies (extraction, distillation) [27,28,29,30,31,32]. Besides, these liquids have found industrial applications as process fluids for mechanic [33] and electrochemical applications [34]. Finally, from the pioneering work of Rogers and co-workers, it is known that ionic liquids are able to dissolve significant amounts of water-insoluble biopolymers (such as e.g. cellulose and chitin)[35] and even complex biopolymer mixtures, such as e.g. wood, have been completely dissolved in some ionic liquids [36]. In our specific application, the role of the ionic liquid is threefold: a) the ionic liquid dissolves the carbohydrate starting material thus expanding the range of applicable carbohydrate to water insoluble polymers; b) the ionic liquid provides a medium to dissolve and stabilize the catalyst; c) the ionic liquid dissolves hydrogen at a very low level, so inhibiting any possible collateral hydrogen-consuming process (detailed investigation of the hydrogen solubility in ionic liquids have been reported by e.g. Brennecke and coworkers [37]). (orig.)

  2. [Advances of poly (ionic liquid) materials in separation science].

    Science.gov (United States)

    Liu, Cuicui; Guo, Ting; Su, Rina; Gu, Yuchen; Deng, Qiliang

    2015-11-01

    Ionic liquids, as novel ionization reagents, possess beneficial characteristics including good solubility, conductivity, thermal stability, biocompatibility, low volatility and non-flammability. Ionic liquids are attracting a mass of attention of analytical chemists. Poly (ionic liquid) materials have common performances of ionic liquids and polymers, and have been successfully applied in separation science area. In this paper, we discuss the interaction mechanisms between the poly(ionic liquid) materials and analytes including hydrophobic/hydrophilic interactions, hydrogen bond, ion exchange, π-π stacking and electrostatic interactions, and summarize the application advances of the poly(ionic liquid) materials in solid phase extraction, chromatographic separation and capillary electrophoresis. At last, we describe the future prospect of poly(ionic liquid) materials.

  3. Comparison of soft tissue effects of conventional ionic, low osmolar ionic and nonionic iodine containing contrast material in experimental animals

    International Nuclear Information System (INIS)

    McAlister, W.H.; Kissane, J.M.

    1990-01-01

    Conventional, low osmolar, and non-ionic iodine containing contrast media and saline controls were placed in the paws, muscles, and subcutaneous tissues of Sprague-Dawley rat thighs. The paw injections were observed and photographed, while the thighs were examined histologically. Results showed that although the low osmolar and non-ionic agents did produce inflammatory reactions and focal necrosis in the soft tissues, they were much better tolerated than were the conventional ionic agents. A non-ionic or low osmolar ionic contrast agent should be strongly considered when a possibility for extravasation exists. (orig.)

  4. Catalytic Ionic-Liquid Membranes: The Convergence of Ionic-Liquid Catalysis and Ionic-Liquid Membrane Separation Technologies.

    Czech Academy of Sciences Publication Activity Database

    Izák, Pavel; Bobbink, F.D.; Hulla, M.; Klepic, M.; Friess, K.; Hovorka, Š.; Dyson, P.J.

    2018-01-01

    Roč. 83, č. 1 (2018), s. 7-18 ISSN 2192-6506 R&D Projects: GA ČR(CZ) GA17-00089S; GA ČR GA17-05421S Institutional support: RVO:67985858 Keywords : heterogeneous catalysis * ionic liquids * membranes Subject RIV: CI - Industrial Chemistry, Chemical Engineering OBOR OECD: Chemical process engineering Impact factor: 2.797, year: 2016

  5. Formation of crystalline telluridomercurates from ionic liquids near room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Donsbach, Carsten; Dehnen, Stefanie [Fachbereich Chemie und Wissenschaftliches Zentrum fuer Materialwissenschaften, Philipps-Universitaet Marburg, Hans-Meerwein-Strasse 4, 35043, Marburg (Germany)

    2017-01-15

    The ternary telluridomercurate Na{sub 2}[HgTe{sub 2}] (1) was formed by fusion of Na{sub 2}Te and HgTe at 600 C and further treated in the ionic liquid (C{sub 4}C{sub 1}Im)[BF{sub 4}] (C{sub 4}C{sub 1}Im = 1-butyl-3-methylimidazolium) at moderately elevated temperatures (60 C), leading to replacement of the Na{sup +} cations with (C{sub 4}C{sub 1}Im){sup +} and re-arrangement of the inorganic substructure. As a result, we obtained the telluridomercurate (C{sub 4}C{sub 1}Im){sub 2}[HgTe{sub 2}] (2) and the tellurido/ditelluridomercurate (C{sub 4}C{sub 1}Im){sub 2}[Hg{sub 2}Te{sub 4}] (3) besides polytellurides and HgTe as by-products. The heavy atom compositions of the compounds were confirmed by micro X-ray fluorescence spectroscopy (μ-XFS), and their structures were determined by single-crystal diffraction. The cation-exchanged salts were further investigated by UV/Vis spectroscopy, indicating narrow band-gap optical transitions at 2.80 eV (2) and 1.63 eV (3), in agreement with their visible yellow or reddish-black color, respectively. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Pressure cryocooling protein crystals

    Science.gov (United States)

    Kim, Chae Un [Ithaca, NY; Gruner, Sol M [Ithaca, NY

    2011-10-04

    Preparation of cryocooled protein crystal is provided by use of helium pressurizing and cryocooling to obtain cryocooled protein crystal allowing collection of high resolution data and by heavier noble gas (krypton or xenon) binding followed by helium pressurizing and cryocooling to obtain cryocooled protein crystal for collection of high resolution data and SAD phasing simultaneously. The helium pressurizing is carried out on crystal coated to prevent dehydration or on crystal grown in aqueous solution in a capillary.

  7. Radiation damage in the alkali halide crystals

    International Nuclear Information System (INIS)

    Diller, K.M.

    1975-10-01

    A general review is given of the experimental data on radiation damage in the alkali halide crystals. A report is presented of an experimental investigation of irradiation produced interstitial dislocation loops in NaCl. These loops are found to exhibit the usual growth and coarsening behaviour during thermal annealing which operates by a glide and self-climb mechanism. It is shown that the recombination of defects in these crystals is a two stage process, and that the loss of interstitials stabilized at the loops is caused by extrinsic vacancies. The theoretical techniques used in simulating point defects in ionic crystals are described. Shell model potentials are derived for all the alkali halide crystals by fitting to bulk crystal data. The fitting is supplemented by calculations of the repulsive second neighbour interactions using methods based on the simple electron gas model. The properties of intrinsic and substitutional impurity defects are calculated. The HADES computer program is used in all the defect calculations. Finally the report returns to the problems of irradiation produced interstitial defects. The properties of H centres are discussed; their structure, formation energies, trapping at impurities and dimerization. The structure, formation energies and mobility of the intermediate and final molecular defects are then discussed. The thermodynamics of interstitial loop formation is considered for all the alklai halide crystals. The nucleation of interstitial loops in NaCl and NaBr is discussed, and the recombination of interstitial and vacancy defects. The models are found to account for all the main features of the experimental data. (author)

  8. Nontoxic Ionic Liquid Fuels for Exploration Applications

    Science.gov (United States)

    Coil, Millicent

    2015-01-01

    The toxicity of propellants used in conventional propulsion systems increases not only safety risks to personnel but also costs, due to special handling required during the entire lifetime of the propellants. Orbital Technologies Corporation (ORBITEC) has developed and tested novel nontoxic ionic liquid fuels for propulsion applications. In Phase I of the project, the company demonstrated the feasibility of several ionic liquid formulations that equaled the performance of conventional rocket propellant monomethylhydrazine (MMH) and also provided low volatility and low toxicity. In Phase II, ORBITEC refined the formulations, conducted material property tests, and investigated combustion behavior in droplet and microreactor experiments. The company also explored the effect of injector design on performance and demonstrated the fuels in a small-scale thruster. The ultimate goal is to replace propellants such as MMH with fuels that are simultaneously high-performance and nontoxic. The fuels will have uses in NASA's propulsion applications and also in a range of military and commercial functions.

  9. A Review of Ionic Liquid Lubricants

    OpenAIRE

    Anthony E. Somers; Patrick C. Howlett; Douglas R. MacFarlane; Maria Forsyth

    2013-01-01

    Due to ever increasing demands on lubricants, such as increased service intervals, reduced volumes and reduced emissions, there is a need to develop new lubricants and improved wear additives. Ionic liquids (ILs) are room temperature molten salts that have recently been shown to offer many advantages in this area. The application of ILs as lubricants in a diverse range of systems has found that these materials can show remarkable protection against wear and significantly reduce friction in th...

  10. Supported ionic liquids fundamentals and applications

    CERN Document Server

    Fehrmann, Rasmus; Haumann, Marco

    2013-01-01

    This unique book gives a timely overview about the fundamentals and applications of supported ionic liquids in modern organic synthesis. It introduces the concept and synthesis of SILP materials and presents important applications in the field of catalysis (e.g. hydroformylation, hydrogenation, coupling reactions, fine chemical synthesis) as well as energy technology and gas separation. Written by pioneers in the field, this book is an invaluable reference book for organic chemists in academia or industry.

  11. Phytoremediation of Ionic and Methyl Mercury Pollution

    Energy Technology Data Exchange (ETDEWEB)

    Meagher, Richard B.

    2005-06-01

    Phytoremediation is defined as the use of plants to extract, resist, detoxify, and/or sequester toxic environmental pollutants. The long-term goal of the proposed research is to develop and test highly productive, field-adapted plant species that have been engineered for the phytoremediation of mercury. A variety of different genes, which should enable plants to clean mercury polluted sites are being tested as tools for mercury phytoremediation, first in model laboratory plants and then in potential field species. Several of these genes have already been shown to enhance mercury phytoremediation. Mercury pollution is a serious, world-wide problem affecting the health of human and wildlife populations. Environmentally, the most serious mercury threat is the production of methylmercury (CH3Hg+) by native bacteria at mercury contaminated wetland sites. Methylmercury is inherently more toxic than metallic (Hg(0)) or ionic (Hg(II)) mercury, and because methylmercury is prolifically biomagnified up the food chain, it poses the most immediate danger to animal populations. We have successfully engineered two model plants, Arabidopsis and tobacco, to use the bacterial merB gene to convert methylmercury to less toxic ionic mercury and to use the bacterial merA gene to further detoxify ionic mercury to the least toxic form of mercury, metallic mercury. Plants expressing both MerA and MerB proteins detoxify methylmercury in two steps to the metallic form. These plants germinate, grow, and set seed at normal growth rates on levels of methylmercury or ionic mercury that are lethal to normal plants. Our newest efforts involve engineering plants with several additional bacterial and plant genes that allow for higher levels of mercury resistance and mercury hyperaccumulation. The potential for these plants to hyperaccumulate mercury was further advanced by developing constitutive, aboveground, and root-specific gene expression systems. Our current strategy is to engineer plants to

  12. Phytoremediation of Ionic and Methyl Mercury Pollution

    Energy Technology Data Exchange (ETDEWEB)

    Meagher, Richard B.

    2004-12-01

    Phytoremediation is defined as the use of plants to extract, resist, detoxify, and/or sequester toxic environmental pollutants. The long-term goal of the proposed research is to develop and test highly productive, field-adapted plant species that have been engineered for the phytoremediation of mercury. A variety of different genes, which should enable plants to clean mercury polluted sites are being tested as tools for mercury phytoremediation, first in model laboratory plants and then in potential field species. Several of these genes have already been shown to enhance mercury phytoremediation. Mercury pollution is a serious, world-wide problem affecting the health of human and wildlife populations. Environmentally, the most serious mercury threat is the production of methylmercury (CH3Hg+) by native bacteria at mercury contaminated wetland sites. Methylmercury is inherently more toxic than metallic (Hg(0)) or ionic (Hg(II)) mercury, and because methylmercury is prolifically biomagnified up the food chain, it poses the most immediate danger to animal populations. We have successfully engineered two model plants, Arabidopsis and tobacco, to use the bacterial merB gene to convert methylmercury to less toxic ionic mercury and to use the bacterial merA gene to further detoxify ionic mercury to the least toxic form of mercury, metallic mercury. Plants expressing both MerA and MerB proteins detoxify methylmercury in two steps to the metallic form. These plants germinate, grow, and set seed at normal growth rates on levels of methylmercury or ionic mercury that are lethal to normal plants. Our newest efforts involve engineering plants with several additional bacterial and plant genes that allow for higher levels of mercury resistance and mercury hyperaccumulation. The potential for these plants to hyperaccumulate mercury was further advanced by developing constitutive, aboveground, and root-specific gene expression systems.

  13. Improved ionic conductivity of lithium-zinc-tellurite glass-ceramic electrolytes

    Directory of Open Access Journals (Sweden)

    W. Widanarto

    Full Text Available An enhancement in the secondary battery safety demands the optimum synthesis of glass-ceramics electrolytes with modified ionic conductivity. To achieve improved ionic conductivity and safer operation of the battery, we synthesized Li2O included zinc-tellurite glass-ceramics based electrolytes of chemical composition (85-xTeO2·xLi2O·15ZnO, where x = 0, 5, 10, 15 mol%. Samples were prepared using the melt quenching method at 800 °C followed by thermal annealing at 320 °C for 3 h and characterized. The effects of varying temperature, alternating current (AC frequency and Li2O concentration on the structure and ionic conductivity of such glass-ceramics were determined. The SEM images of the annealed glass-ceramic electrolytes displayed rough surface with a uniform distribution of nucleated crystal flakes with sizes less than 1 μm. X-ray diffraction analysis confirmed the well crystalline nature of achieved electrolytes. Incorporation of Li2O in the electrolytes was found to generate some new crystalline phases including hexagonal Li6(TeO6, monoclinic Zn2Te3O8 and monoclinic Li2Te2O5. The estimated crystallite size of the electrolyte was ranged from ≈40 to 80 nm. AC impedance measurement revealed that the variation in the temperatures, Li2O contents, and high AC frequencies have a significant influence on the ionic conductivity of the electrolytes. Furthermore, electrolyte doped with 15 mol% of Li2O exhibited the optimum performance with an ionic conductivity ≈2.4 × 10−7 S cm−1 at the frequency of 54 Hz and in the temperature range of 323–473 K. This enhancement in the conductivity was attributed to the sizable alteration in the ions vibration and ruptures of covalent bonds in the electrolytes network structures. Keywords: Zinc-tellurite, Glass-ceramics, X-ray diffraction, Ionic conductivity, Lithium oxide

  14. Is Geometric Frustration-Induced Disorder a Recipe for High Ionic Conductivity?

    Science.gov (United States)

    Düvel, Andre; Heitjans, Paul; Fedorov, Pavel; Scholz, Gudrun; Cibin, Giannantonio; Chadwick, Alan V; Pickup, David M; Ramos, Silvia; Sayle, Lewis W L; Sayle, Emma K L; Sayle, Thi X T; Sayle, Dean C

    2017-04-26

    , collective transport in glassy materials is well documented [for example, J. Chem. Phys. 2013 , 138 , 12A538 ]. Possible crystallographic nomenclatures, to be used to describe long-range order in disordered systems, may include, for example, the shape, length, and branching of the "snake" arrays. Such characterizations may ultimately provide insight and differences between long-range order in disordered, amorphous, or liquid states and processes such as ionic conductivity, melting, and crystallization.

  15. Ionic Liquid-Tethered Nanoparticle Suspensions: A Novel Class of Ionogels

    KAUST Repository

    Moganty, Surya S.

    2012-04-10

    We report a novel class of silica ionogels created by dispersing silica nanoparticles densely grafted with the ionic liquid (IL) 1-trimethoxysilyl propyl-3-methyl-imidazolium bis- (trifluoromethylsulfonyl) imide (SpmImTSFI) in a 1-butyl-3- methyl-pyrrolidinium bis(trifluoromethylsulfonyl) imide (BmpyrTFSI) IL host. We find that over the entire range of nanoparticle volume fractions studied the systems exist as stable suspensions of SiO 2-SpmImTFSI in the BmpyrTFSI host. Remarkably, we also find that addition of even minute quantities of SiO 2-SpmImTFSI to the BmpyrTFSI IL suppresses crystallization of the host. The resulting disordered hybrid fluids exhibit liquid-like transport properties over a vastly extended temperature range; they open the way for facile synthesis of ILs with extended operating temperature windows. These observations are explained in terms of ionic coupling of the nanoparticle-tethered and free TFSI anions, which is thought to suppress crystallization of BmpyrTFSI. © 2012 American Chemical Society.

  16. Thermoluminescence response of a mixed ternary alkali halide crystals exposed to gamma rays

    International Nuclear Information System (INIS)

    Rodriguez M, R.; Perez S, R.; Vazquez P, G.; Riveros, H.; Gonzalez M, P.

    2014-08-01

    Ionic crystals, mainly alkali halide crystals have been the subject of intense research for a better understanding of the luminescence properties of defects induced by ionizing radiation. The defects in crystals can be produced in appreciable concentration due to elastic stresses, radiation, and addition of impurities. These defects exhibit remarkable thermoluminescence properties. This work is concerned with the Tl properties of a ternary alkali halide crystal after being irradiated with gamma and beta rays. It has been found that the Tl glow peak of the crystal follows a rule of average associated to the Tl Temperatures of the components of the mixture, similarly to the response of europium doped binary mixed crystals KCl x KBr 1-x and KBr x RbBr 1-x . (Author)

  17. Thermoluminescence response of a mixed ternary alkali halide crystals exposed to gamma rays

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez M, R.; Perez S, R. [Universidad de Sonora, Departamento de Investigacion en Fisica, Apdo. Postal 5-088, 83190 Hermosillo, Sonora (Mexico); Vazquez P, G.; Riveros, H. [UNAM, Instituto de Fisica, Apdo. Postal 20-364, 01000 Mexico D. F. (Mexico); Gonzalez M, P., E-mail: mijangos@cifus.uson.mx [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

    2014-08-15

    Ionic crystals, mainly alkali halide crystals have been the subject of intense research for a better understanding of the luminescence properties of defects induced by ionizing radiation. The defects in crystals can be produced in appreciable concentration due to elastic stresses, radiation, and addition of impurities. These defects exhibit remarkable thermoluminescence properties. This work is concerned with the Tl properties of a ternary alkali halide crystal after being irradiated with gamma and beta rays. It has been found that the Tl glow peak of the crystal follows a rule of average associated to the Tl Temperatures of the components of the mixture, similarly to the response of europium doped binary mixed crystals KCl{sub x}KBr{sub 1-x} and KBr{sub x}RbBr{sub 1-x}. (Author)

  18. Canopy Dynamics in Nanoscale Ionic Materials

    KAUST Repository

    Jespersen, Michael L.

    2010-07-27

    Nanoscale ionic materials (NIMS) are organic - inorganic hybrids in which a core nanostructure is functionalized with a covalently attached corona and an ionically tethered organic canopy. NIMS are engineered to be liquids under ambient conditions in the absence of solvent and are of interest for a variety of applications. We have used nuclear magnetic resonance (NMR) relaxation and pulse-field gradient (PFG) diffusion experiments to measure the canopy dynamics of NIMS prepared from 18-nm silica cores modified by an alkylsilane monolayer possessing terminal sulfonic acid functionality, paired with an amine-terminated ethylene oxide/propylene oxide block copolymer canopy. Carbon NMR studies show that the block copolymer canopy is mobile both in the bulk and in the NIMS and that the fast (ns) dynamics are insensitive to the presence of the silica nanoparticles. Canopy diffusion in the NIMS is slowed relative to the neat canopy, but not to the degree predicted from the diffusion of hard-sphere particles. Canopy diffusion is not restricted to the surface of the nanoparticles and shows unexpected behavior upon addition of excess canopy. Taken together, these data indicate that the liquid-like behavior in NIMS is due to rapid exchange of the block copolymer canopy between the ionically modified nanoparticles. © 2010 American Chemical Society.

  19. Canopy Dynamics in Nanoscale Ionic Materials

    KAUST Repository

    Jespersen, Michael L.; Mirau, Peter A.; Meerwall, Ernst von; Vaia, Richard A.; Rodriguez, Robert; Giannelis, Emmanuel P.

    2010-01-01

    Nanoscale ionic materials (NIMS) are organic - inorganic hybrids in which a core nanostructure is functionalized with a covalently attached corona and an ionically tethered organic canopy. NIMS are engineered to be liquids under ambient conditions in the absence of solvent and are of interest for a variety of applications. We have used nuclear magnetic resonance (NMR) relaxation and pulse-field gradient (PFG) diffusion experiments to measure the canopy dynamics of NIMS prepared from 18-nm silica cores modified by an alkylsilane monolayer possessing terminal sulfonic acid functionality, paired with an amine-terminated ethylene oxide/propylene oxide block copolymer canopy. Carbon NMR studies show that the block copolymer canopy is mobile both in the bulk and in the NIMS and that the fast (ns) dynamics are insensitive to the presence of the silica nanoparticles. Canopy diffusion in the NIMS is slowed relative to the neat canopy, but not to the degree predicted from the diffusion of hard-sphere particles. Canopy diffusion is not restricted to the surface of the nanoparticles and shows unexpected behavior upon addition of excess canopy. Taken together, these data indicate that the liquid-like behavior in NIMS is due to rapid exchange of the block copolymer canopy between the ionically modified nanoparticles. © 2010 American Chemical Society.

  20. Understanding SO2 Capture by Ionic Liquids.

    Science.gov (United States)

    Mondal, Anirban; Balasubramanian, Sundaram

    2016-05-19

    Ionic liquids have generated interest for efficient SO2 absorption due to their low vapor pressure and versatility. In this work, a systematic investigation of the structure, thermodynamics, and dynamics of SO2 absorption by ionic liquids has been carried out through quantum chemical calculations and molecular dynamics (MD) simulations. MP2 level calculations of several ion pairs complexed with SO2 reveal its preferential interaction with the anion. Results of condensed phase MD simulations of SO2-IL mixtures manifested the essential role of both cations and anions in the solvation of SO2, where the solute is surrounded by the "cage" formed by the cations (primarily its alkyl tail) through dispersion interactions. These structural effects of gas absorption are substantiated by calculated Gibbs free energy of solvation; the dissolution is demonstrated to be enthalpy driven. The entropic loss of SO2 absorption in ionic liquids with a larger anion such as [NTf2](-) has been quantified and has been attributed to the conformational restriction of the anion imposed by its interaction with SO2. SO2 loading IL decreases its shear viscosity and enhances the electrical conductivity. This systematic study provides a molecular level understanding which can aid the design of task-specific ILs as electrolytes for efficient SO2 absorption.

  1. Protein sensing by nanofluidic crystal and its signal enhancement

    Science.gov (United States)

    Sang, Jianming; Du, Hongtan; Wang, Wei; Chu, Ming; Wang, Yuedan; Li, Haichao; Alice Zhang, Haixia; Wu, Wengang; Li, Zhihong

    2013-01-01

    Nanofluidics has a unique property that ionic conductance across a nanometer-sized confined space is strongly affected by the space surface charge density, which can be utilized to construct electrical read-out biosensor. Based on this principle, this work demonstrated a novel protein sensor along with a sandwich signal enhancement approach. Nanoparticles with designed aptamer onside are assembled in a suspended micropore to form a 3-dimensional network of nanometer-sized interstices, named as nanofluidic crystal hereafter, as the basic sensing unit. Proteins captured by aptamers will change the surface charge density of nanoparticles and thereby can be detected by monitoring the ionic conductance across this nanofluidic crystal. Another aptamer can further enlarge the variations of the surface charge density by forming a sandwich structure (capturing aptamer/protein/signal enhancement aptamer) and the read-out conductance as well. The preliminary experimental results indicated that human α-thrombin was successfully detected by the corresponding aptamer modified nanofluidic crystal with the limit of detection of 5 nM (0.18 μg/ml) and the read-out signal was enhanced up to 3 folds by using another thrombin aptamer. Being easy to graft probe, facile and low-cost to prepare the nano-device, and having an electrical read-out, the present nanofluidic crystal scheme is a promising and universal strategy for protein sensing. PMID:24404017

  2. CRYSTALLIZATION IN MULTICOMPONENT GLASSES

    Energy Technology Data Exchange (ETDEWEB)

    KRUGER AA; HRMA PR

    2009-10-08

    In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

  3. Crystallization In Multicomponent Glasses

    International Nuclear Information System (INIS)

    Kruger, A.A.; Hrma, P.R.

    2009-01-01

    In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

  4. Clinical trial of non-ionic contrast media -comparison of efficacy and safety between non-ionic iopromide (Ultravist) and ionic contrast media-

    International Nuclear Information System (INIS)

    Lee, Ghi Jai; Kim, Seung Hyup; Park, Jae Hyung; Chang, Kee Hyun; Han, Man Chung; Kim, Chu Wan

    1988-01-01

    Non-ionic contrast media, iopromide (Ultravist) was compared with ioxitalamate (Telebrix) and/or ioxaglate (Hexabrix) for efficacy and safety in 203 patients undergoing cardiac angiography, neurovascular angiography, peripheral and visceral angiography and intravenous pyelography. In all patients, adverse symptoms and signs including heat sense, pain, nausea, vomiting, etc. were checked during and after the injection. In addition, EKG and LV pressure were monitored during the cardiac angiography. And also CBC, UA, BUN and creatinine were checked before and 24 hours after the cardiac angiography. Serious adverse effect did not occur in any case. Minor effects, such as nausea and abdominal pain, were less frequently caused by non-ionic contrast media than by ionic contrast media, especially in cardiac angiography and intravenous pyelography. There was no significant difference between ionic and non-ionic contrast media in regard to electrophysiologic parameters such as EKG and LV pressure. In case of intravenous pyelography, nonionic contrast media seemed to be superior to ionic contrast media in image quality. It is suggested that, in spite of higher cost, non-ionic contrast media be needed for the safety and image quality, particularly in those patients at high risk of adverse effects by ionic contrast media

  5. Structure-activity relationship of the ionic cocrystal: 5-amino-2-naphthalene sulfonate·ammonium ions for pharmaceutical applications

    Science.gov (United States)

    Sangeetha, M.; Mathammal, R.

    2018-02-01

    The ionic cocrystals of 5-amino-2-naphthalene sulfonate · ammonium ions (ANSA-ṡNH4+) were grown under slow evaporation method and examined in detail for pharmaceutical applications. The crystal structure and intermolecular interactions were studied from the single X-ray diffraction analysis and the Hirshfeld surfaces. The 2D fingerprint plots displayed the inter-contacts possible in the ionic crystal. Computational DFT method was established to determine the structural, physical and chemical properties. The molecular geometries obtained from the X-ray studies were compared with the optimized geometrical parameters calculated using DFT/6-31 + G(d,p) method. The band gap energy calculated from the UV-Visible spectral analysis and the HOMO-LUMO energy gap are compared. The theoretical UV-Visible calculations helped in determining the type of electronic transition taking place in the title molecule. The maximum absorption bands and transitions involved in the molecule represented the drug reaction possible. Non-linear optical properties were characterized from SHG efficiency measurements experimentally and the NLO parameters are also calculated from the optimized structure. The reactive sites within the molecule are detailed from the MEP surface maps. The molecular docking studies evident the structure-activity of the ionic cocrystal for anti-cancer drug property.

  6. Phytoremediation of Ionic and Methyl Mercury Pollution

    Energy Technology Data Exchange (ETDEWEB)

    Meagher, Richard B.

    2005-06-01

    Phytoremediation is defined as the use of plants to extract, resist, detoxify, and/or sequester toxic environmental pollutants. The long-term goal of the proposed research is to develop and test highly productive, field-adapted plant species that have been engineered for the phytoremediation of mercury. A variety of different genes, which should enable plants to clean mercury polluted sites are being tested as tools for mercury phytoremediation, first in model laboratory plants and then in potential field species. Several of these genes have already been shown to enhance mercury phytoremediation. Mercury pollution is a serious, world-wide problem affecting the health of human and wildlife populations. Environmentally, the most serious mercury threat is the production of methylmercury (CH3Hg+) by native bacteria at mercury contaminated wetland sites. Methylmercury is inherently more toxic than metallic (Hg(0)) or ionic (Hg(II)) mercury, and because methylmercury is prolifically biomagnified up the food chain, it poses the most immediate danger to animal populations. We have successfully engineered two model plants, Arabidopsis and tobacco, to use the bacterial merB gene to convert methylmercury to less toxic ionic mercury and to use the bacterial merA gene to further detoxify ionic mercury to the least toxic form of mercury, metallic mercury. Plants expressing both MerA and MerB proteins detoxify methylmercury in two steps to the metallic form. These plants germinate, grow, and set seed at normal growth rates on levels of methylmercury or ionic mercury that are lethal to normal plants. Our newest efforts involve engineering plants with several additional bacterial and plant genes that allow for higher levels of mercury resistance and mercury hyperaccumulation. The potential for these plants to hyperaccumulate mercury was further advanced by developing constitutive, aboveground, and root-specific gene expression systems. Our current strategy is to engineer plants to

  7. Crystal growth and mechanical hardness of In{sub 2}Se{sub 2.7}Sb{sub 0.3} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Patel, Piyush, E-mail: piyush-patel130@yahoo.com; Vyas, S. M., E-mail: s-m-vyas-gu@hotmail.com; Patel, Vimal; Pavagadhi, Himanshu [Department of Physics, School of Science, Gujarat University, Ahmedabad, Gujarat, India-380009 (India); Solanki, Mitesh [panditdindayal Petroleum University, Gandhinagar. Gujarat (India); Jani, Maunik P. [BITS Edu Campus, Varnama, Vadodara, Gujarat (India)

    2015-08-28

    The III-VI compound semiconductors is important for the fabrication of ionizing radiation detectors, solid-state electrodes, and photosensitive heterostructures, solar cell and ionic batteries. In this paper, In{sub 2}Se{sub 2.7} Sb{sub 0.3} single crystals were grown by the Bridgman method with temperature gradient of 60 °C/cm and the growth velocity 0.5cm/hr. The as-grown crystals were examined under the optical microscope for surface study, a various growth features observed on top free surface of the single crystal which is predominant of layers growth mechanism. The lattice parameters of as-grown crystal was determined by the XRD analysis. A Vickers’ projection microscope were used for the study of microhardness on the as-cleaved, cold-worked and annealed samples of the crystals, the results were discussed, and reported in detail.

  8. 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.

  9. Ionic liquids for addressing unmet needs in healthcare

    Science.gov (United States)

    Agatemor, Christian; Ibsen, Kelly N.; Tanner, Eden E. L.

    2018-01-01

    Abstract Advances in the field of ionic liquids have opened new applications beyond their traditional use as solvents into other fields especially healthcare. The broad chemical space, rich with structurally diverse ions, and coupled with the flexibility to form complementary ion pairs enables task‐specific optimization at the molecular level to design ionic liquids for envisioned functions. Consequently, ionic liquids now are tailored as innovative solutions to address many problems in medicine. To date, ionic liquids have been designed to promote dissolution of poorly soluble drugs and disrupt physiological barriers to transport drugs to targeted sites. Also, their antimicrobial activity has been demonstrated and could be exploited to prevent and treat infectious diseases. Metal‐containing ionic liquids have also been designed and offer unique features due to incorporation of metals. Here, we review application‐driven investigations of ionic liquids in medicine with respect to current status and future potential. PMID:29376130

  10. Significant Improvement of Catalytic Efficiencies in Ionic Liquids

    International Nuclear Information System (INIS)

    Song, Choong Eui; Yoon, Mi Young; Choi, Doo Seong

    2005-01-01

    The use of ionic liquids as reaction media can confer many advantages upon catalytic reactions over reactions in organic solvents. In ionic liquids, catalysts having polar or ionic character can easily be immobilized without additional structural modification and thus the ionic solutions containing the catalyst can easily be separated from the reagents and reaction products, and then, be reused. More interestingly, switching from an organic solvent to an ionic liquid often results in a significant improvement in catalytic performance (e.g., rate acceleration, (enantio)selectivity improvement and an increase in catalyst stability). In this review, some recent interesting results which can nicely demonstrate these positive 'ionic liquid effect' on catalysis are discussed

  11. Indium Gallium Zinc Oxide: Phase Formation and Crystallization Kinetics during Millisecond Laser Spike Annealing

    Science.gov (United States)

    Lynch, David Michael

    similar to ZnO thin films. A classical nucleation and growth model is proposed and compared to alternative models proposed in literature. Extending this study of CAAC IGZO, the formation and growth of crystalline IGZO over a wide composition range and processing conditions were explored. IGZO itself is one composition of a class of homologous structures in the pseudo-binary InGaO3(ZnO)m system. For integer m, the equilibrium structure is known and well-characterized; however, for non-integer m, disorder must exist and the kinetics of the structural development remain almost completely unknown. A high-throughput (combinatorial) approach utilizing co-sputter deposition, millisecond timescale thermal gradient laser annealing, and spatially-resolved characterization using microbeam wide-angle X-ray scattering was used to probe the structural evolution as a function of temperature, time, and composition. As-deposited films were amorphous in the InGaO3- rich composition range, becoming crystalline (wurtzite) with increasing ZnO content. Under millisecond heating, films evolved toward the equilibrium layered structure consisting of nearly pure In2O3 layers with (Ga, Zn)Ox interlayers. Composition deviations (non-integer m) are discussed within a model of cationic disorder in both the In2O3 layers and the (Ga, Zn)O x layers. Crystal-tocrystal transformations in the high-ZnO region are discussed within the context of a new growth model for these homologous structures. This deeper understanding of the nature of crystalline IGZO will help to enable the successful implementation of CAAC IGZO for high-performance display applications.

  12. Cathodoluminescence of GaN diped with Zn in the process of epitaxial growth and by the method of ionic implantation

    International Nuclear Information System (INIS)

    Khasanov, I.Sh.; Gippius, A.A.; Kuznetsov, A.V.; Petrov, M.N.; Sletov, M.M.

    1984-01-01

    The cathodoluminescence (CL) method was used to investigate the epitaxial GaN layers doped with Zn both in the process of growth and by the method of ionic implantation for the purpose of clarifying the effect of doping technique on impurity luminescence. It was shown that (2-3)x10 18 cm -3 concentration is optimal with respect to intensity of impurity ''blue'' luminescence for gallium nitride doped with Zn. The intensity of GaN ''blue'' luminescence during Zn ionic implantation is several times lower as compared with doping in the process of growth. This is related to incomplete optical activation of impurity atoms in the process of postimplantation thermal annealing. Increase of zinc concentration above optimal during ionic implantation intensifies crystal lattice disordering, which is supported by intensification of 1.7 eV cathodoluminescence band in spectra conditioned by defects

  13. Potentiostat for Characterizing Microstructures at Ionic Liquid/Electrode Interfaces

    Science.gov (United States)

    2015-10-10

    reviewed journals (N/A for none) C. Zibart, D. Parr, B. Egan, H. Morris, A. Tivanski, L. M. Haverhals, “Investigation of Structure at Gold- Ionic Liquid ...into our electrochemistry program. In short, the instrument has been of great service to characterize ionic liquid -based (IL-based) electrolyte...Aug-2014 14-Nov-2014 Approved for Public Release; Distribution Unlimited Final Report: Potentiostat for Characterizing Microstructures at Ionic Liquid

  14. Ionic Liquids in Polymer Design: From Energy to Health

    Science.gov (United States)

    2016-10-19

    of Papers published in non peer- reviewed journals: Final Report: Ionic Liquids in Polymer Design: From Energy to Health Report Title ACS Symposium...SECURITY CLASSIFICATION OF: ACS Symposium: Ionic Liquids in Polymer Design: From Energy to Health at Fall 2015 ACS Meeting in Boston, MA The...combination of ionic liquids and polymers has emerged as an active field of exploration in polymer science, where new materials have be realized for

  15. Ion Transport in Nanostructured Block Copolymer/Ionic Liquid Membranes

    OpenAIRE

    Hoarfrost, Megan Lane

    2012-01-01

    Incorporating an ionic liquid into one block copolymer microphase provides a platform for combining the outstanding electrochemical properties of ionic liquids with a number of favorable attributes provided by block copolymers. In particular, block copolymers thermodynamically self-assemble into well-ordered nanostructures, which can be engineered to provide a durable mechanical scaffold and template the ionic liquid into continuous ion-conducting nanochannels. Understanding how the additio...

  16. Aerobic, catalytic oxidation of alcohols in ionic liquids

    Directory of Open Access Journals (Sweden)

    Souza Roberto F. de

    2006-01-01

    Full Text Available An efficient and simple catalytic system based on RuCl3 dissolved in ionic liquids has been developed for the oxidation of alcohols into aldehydes and ketones under mild conditions. A new fluorinated ionic liquid, 1-n-butyl-3-methylimidazolium pentadecafluorooctanoate, was synthesized and demonstrated better performance that the other ionic liquids employed. Moreover this catalytic system utilizes molecular oxygen as an oxidizing agent, producing water as the only by-product.

  17. Photonic crystal pioneer

    Science.gov (United States)

    Anscombe, Nadya

    2011-08-01

    Over the past ten years, Crystal Fiber, now part of NKT Photonics, has been busy commercializing photonic crystal fibre. Nadya Anscombe finds out about the evolution of the technology and its applications.

  18. Crystallization Pathways in Biomineralization

    Science.gov (United States)

    Weiner, Steve; Addadi, Lia

    2011-08-01

    A crystallization pathway describes the movement of ions from their source to the final product. Cells are intimately involved in biological crystallization pathways. In many pathways the cells utilize a unique strategy: They temporarily concentrate ions in intracellular membrane-bound vesicles in the form of a highly disordered solid phase. This phase is then transported to the final mineralization site, where it is destabilized and crystallizes. We present four case studies, each of which demonstrates specific aspects of biological crystallization pathways: seawater uptake by foraminifera, calcite spicule formation by sea urchin larvae, goethite formation in the teeth of limpets, and guanine crystal formation in fish skin and spider cuticles. Three representative crystallization pathways are described, and aspects of the different stages of crystallization are discussed. An in-depth understanding of these complex processes can lead to new ideas for synthetic crystallization processes of interest to materials science.

  19. Photonic Crystal Nanocavity Arrays

    National Research Council Canada - National Science Library

    Altug, Hatice; Vuckovic, Jelena

    2006-01-01

    We recently proposed two-dimensional coupled photonic crystal nanocavity arrays as a route to achieve a slow-group velocity of light in all crystal directions, thereby enabling numerous applications...

  20. Growth of dopamine crystals

    Energy Technology Data Exchange (ETDEWEB)

    Patil, Vidya, E-mail: vidya.patil@ruparel.edu; Patki, Mugdha, E-mail: mugdha.patki@ruparel.edu [D. G. Ruparel College, Senapati Bapat Marg, Mahim, Mumbai – 400 016 (India)

    2016-05-06

    Many nonlinear optical (NLO) crystals have been identified as potential candidates in optical and electro-optical devices. Use of NLO organic crystals is expected in photonic applications. Hence organic nonlinear optical materials have been intensely investigated due to their potentially high nonlinearities, and rapid response in electro-optic effect compared to inorganic NLO materials. There are many methods to grow organic crystals such as vapor growth method, melt growth method and solution growth method. Out of these methods, solution growth method is useful in providing constraint free crystal. Single crystals of Dopamine have been grown by evaporating the solvents from aqueous solution. Crystals obtained were of the size of orders of mm. The crystal structure of dopamine was determined using XRD technique. Images of crystals were obtained using FEG SEM Quanta Series under high vacuum and low KV.

  1. Apparatus for mounting crystal

    Science.gov (United States)

    Longeway, Paul A.

    1985-01-01

    A thickness monitor useful in deposition or etching reactor systems comprising a crystal-controlled oscillator in which the crystal is deposited or etched to change the frequency of the oscillator. The crystal rests within a thermally conductive metallic housing and arranged to be temperature controlled. Electrode contacts are made to the surface primarily by gravity force such that the crystal is substantially free of stress otherwise induced by high temperature.

  2. ALICE photon spectrometer crystals

    CERN Multimedia

    Maximilien Brice

    2006-01-01

    Members of the mechanical assembly team insert the last few crystals into the first module of ALICE's photon spectrometer. These crystals are made from lead-tungstate, a crystal as clear as glass but with nearly four times the density. When a high-energy particle passes through one of these crystals it will scintillate, emitting a flash of light allowing the energy of photons, electrons and positrons to be measured.

  3. Use of ionic liquids as coordination ligands for organometallic catalysts

    Science.gov (United States)

    Li, Zaiwei [Moreno Valley, CA; Tang, Yongchun [Walnut, CA; Cheng,; Jihong, [Arcadia, CA

    2009-11-10

    Aspects of the present invention relate to compositions and methods for the use of ionic liquids with dissolved metal compounds as catalysts for a variety of chemical reactions. Ionic liquids are salts that generally are liquids at room temperature, and are capable of dissolving a many types of compounds that are relatively insoluble in aqueous or organic solvent systems. Specifically, ionic liquids may dissolve metal compounds to produce homogeneous and heterogeneous organometallic catalysts. One industrially-important chemical reaction that may be catalyzed by metal-containing ionic liquid catalysts is the conversion of methane to methanol.

  4. Lipid extraction from microalgae using a single ionic liquid

    Science.gov (United States)

    Salvo, Roberto Di; Reich, Alton; Dykes, Jr., H. Waite H.; Teixeira, Rodrigo

    2013-05-28

    A one-step process for the lysis of microalgae cell walls and separation of the cellular lipids for use in biofuel production by utilizing a hydrophilic ionic liquid, 1-butyl-3-methylimidazolium. The hydrophilic ionic liquid both lyses the microalgae cell walls and forms two immiscible layers, one of which consists of the lipid contents of the lysed cells. After mixture of the hydrophilic ionic liquid with a suspension of microalgae cells, gravity causes a hydrophobic lipid phase to move to a top phase where it is removed from the mixture and purified. The hydrophilic ionic liquid is recycled to lyse new microalgae suspensions.

  5. Ionic Liquids in HPLC and CE: A Hope for Future.

    Science.gov (United States)

    Ali, Imran; Suhail, Mohd; Sanagi, Mohd Marsin; Aboul-Enein, Hassan Y

    2017-07-04

    The ionic liquids (ILs) are salts with melting points below 100°C. These are called as ionic fluids, ionic melts, liquid electrolytes, fused salts, liquid salts, ionic glasses, designer solvents, green solvents and solvents of the future. These have a wide range of applications, including medical, pharmaceutical and chemical sciences. Nowadays, their use is increasing greatly in separation science, especially in chromatography and capillary electrophoresis due to their remarkable properties. The present article describes the importance of ILs in high-performance liquid chromatography and capillary electrophoresis. Efforts were also made to highlight the future expectations of ILs.

  6. Recent developments in biocatalysis in multiphasic ionic liquid reaction systems.

    Science.gov (United States)

    Meyer, Lars-Erik; von Langermann, Jan; Kragl, Udo

    2018-06-01

    Ionic liquids are well known and frequently used 'designer solvents' for biocatalytic reactions. This review highlights recent achievements in the field of multiphasic ionic liquid-based reaction concepts. It covers classical biphasic systems including supported ionic liquid phases, thermo-regulated multi-component solvent systems (TMS) and polymerized ionic liquids. These powerful concepts combine unique reaction conditions with a high potential for future applications on a laboratory and industrial scale. The presence of a multiphasic system simplifies downstream processing due to the distribution of the catalyst and reactants in different phases.

  7. Are Ionic Liquids Good Boundary Lubricants? A Molecular Perspective

    Directory of Open Access Journals (Sweden)

    Romain Lhermerout

    2018-01-01

    Full Text Available The application of ionic liquids as lubricants has attracted substantial interest over the past decade and this has produced a rich literature. The aim of this review is to summarize the main findings about frictional behavior of ionic liquids in the boundary lubrication regime. We first recall why the unusual properties of ionic liquids make them very promising lubricants, and the molecular mechanisms at the origin of their lubricating behavior. We then point out the main challenges to be overcome in order to optimise ionic liquid lubricant performance for common applications. We finally discuss their use in the context of electroactive lubrication.

  8. Ionic liquids used in extraction and separation of metal ions

    International Nuclear Information System (INIS)

    Shen Xinghai; Xu Chao; Liu Xinqi; Chu Taiwei

    2006-01-01

    Ionic liquids as green solvents now have become a research hotspot in the field of separation of metal ions by solvent extraction. Experimental results of extraction of various metal ions with ionic liquids as solvents, including that of alkali metals, alkaline earths, transition metals rare earths and actinides are introduced. The extraction of uranium, plutonium and fission products that are involved in spent nuclear fuel reprocessing is also reviewed. The possible extraction mechanisms are discussed. Finally, the prospect of replacement of volatile and/or toxic organic solvents with environmentally benign ionic liquids for solvent extraction and the potency of applications of ionic liquids in solvent extraction are also commented. (authors)

  9. Ionic liquid and nanoparticle hybrid systems: Emerging applications.

    Science.gov (United States)

    He, Zhiqi; Alexandridis, Paschalis

    2017-06-01

    Having novel electronic and optical properties that emanate from their nano-scale dimensions, nanoparticles are central to numerous applications. Ionic liquids can confer to nanoparticle chemical protection and physicochemical property enhancement through intermolecular interactions and can consequently improve the stability and reusability of nanoparticle for various operations. With an aim to combine the novel properties of nanoparticles and ionic liquids, different structures have been generated, based on a balance of several intermolecular interactions. Such ionic liquid and nanoparticle hybrids are showing great potential in diverse applications. In this review, we first introduce various types of ionic liquid and nanoparticle hybrids, including nanoparticle colloidal dispersions in ionic liquids, ionic liquid-grafted nanoparticles, and nanoparticle-stabilized ionic liquid-based emulsions. Such hybrid materials exhibit interesting synergisms. We then highlight representative applications of ionic liquid and nanoparticle hybrids in the catalysis, electrochemistry and separations fields. Such hybrids can attain better stability and higher efficiency under a broad range of conditions. Novel and enhanced performance can be achieved in these applications by combining desired properties of ionic liquids and of nanoparticles within an appropriate hybrid nanostructure. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Ionic liquid electrolytes for dye-sensitized solar cells.

    Science.gov (United States)

    Gorlov, Mikhail; Kloo, Lars

    2008-05-28

    The potential of room-temperature molten salts (ionic liquids) as solvents for electrolytes for dye-sensitized solar cells has been investigated during the last decade. The non-volatility, good solvent properties and high electrochemical stability of ionic liquids make them attractive solvents in contrast to volatile organic solvents. Despite this, the relatively high viscosity of ionic liquids leads to mass-transport limitations. Here we review recent developments in the application of different ionic liquids as solvents or components of liquid and quasi-solid electrolytes for dye-sensitized solar cells.

  11. Predictions of Physicochemical Properties of Ionic Liquids with DFT

    Directory of Open Access Journals (Sweden)

    Karl Karu

    2016-07-01

    Full Text Available Nowadays, density functional theory (DFT-based high-throughput computational approach is becoming more efficient and, thus, attractive for finding advanced materials for electrochemical applications. In this work, we illustrate how theoretical models, computational methods, and informatics techniques can be put together to form a simple DFT-based throughput computational workflow for predicting physicochemical properties of room-temperature ionic liquids. The developed workflow has been used for screening a set of 48 ionic pairs and for analyzing the gathered data. The predicted relative electrochemical stabilities, ionic charges and dynamic properties of the investigated ionic liquids are discussed in the light of their potential practical applications.

  12. Method for enhancing the thermal stability of ionic compounds

    DEFF Research Database (Denmark)

    2013-01-01

    This invention relates to a method for enhancing the thermal stability of ionic compounds including ionic liquids, by immobilization on porous solid support materials having a pore diameter of between about 20-200 AA, wherein the solid support does not have a pore size of 90 AA.......This invention relates to a method for enhancing the thermal stability of ionic compounds including ionic liquids, by immobilization on porous solid support materials having a pore diameter of between about 20-200 AA, wherein the solid support does not have a pore size of 90 AA....

  13. Improved Ionic Liquids as Space Lubricants, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Ionic liquids are candidate lubricant materials. However for application in low temperature space mechanisms their lubrication performance needs to be enhanced. UES...

  14. Computational study on potassium picrate crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ju, Xue-Hai; Lu, Ya-Lin; Ma, Xiu-Fang; Xiao, He-Ming [Department of Chemistry, Nanjing University of Science and Technology, Nanjing, 210094 (China)

    2006-08-15

    DFT calculation at the B3LYP level was performed on crystalline potassium picrate. The frontier bands are slightly fluctuant. The energy gap between the highest occupied crystal orbital (HOCO) and the lowest unoccupied crystal orbital (LUCO) is 0.121 a.u. (3.29 eV). The carbon atoms that are connected with the nitro groups make up the narrow lower energy bands, with small contributions from nitro oxygen and phenol oxygen. The higher energy bands consist of orbitals from the nitro groups and carbon atom. The potassium bears almost 1 a.u. positive charge. The potassium forms ionic bonding with the phenol oxygen and the nitro oxygen at the same time. The crystal lattice energy is predicted to be -574.40 kJ/mol at the B3LYP level determined with the effective core pseudopotential HAYWSC-31G basis set for potassium and 6-31G** basis set for other atoms. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  15. Crystal Growth Technology

    Science.gov (United States)

    Scheel, Hans J.; Fukuda, Tsuguo

    2004-06-01

    This volume deals with the technologies of crystal fabrication, of crystal machining, and of epilayer production and is the first book on industrial and scientific aspects of crystal and layer production. The major industrial crystals are treated: Si, GaAs, GaP, InP, CdTe, sapphire, oxide and halide scintillator crystals, crystals for optical, piezoelectric and microwave applications and more. Contains 29 contributions from leading crystal technologists covering the following topics: General aspects of crystal growth technology Silicon Compound semiconductors Oxides and halides Crystal machining Epitaxy and layer deposition Scientific and technological problems of production and machining of industrial crystals are discussed by top experts, most of them from the major growth industries and crystal growth centers. In addition, it will be useful for the users of crystals, for teachers and graduate students in materials sciences, in electronic and other functional materials, chemical and metallurgical engineering, micro-and optoelectronics including nanotechnology, mechanical engineering and precision-machining, microtechnology, and in solid-state sciences.

  16. Food crystallization and eggs.

    Science.gov (United States)

    Egg products can be utilized to control crystallization in a diverse realm of food products. Albumen and egg yolk can aid in the control of sugar crystal formation in candies. Egg yolk can enhance the textural properties and aid in the control of large ice crystal formation in frozen desserts. In...

  17. Ionic dependence of sulphur mustard cytotoxicity

    International Nuclear Information System (INIS)

    Sawyer, Thomas W.; Nelson, Peggy; Bjarnason, Stephen; Vair, Cory; Shei Yimin; Tenn, Catherine; Lecavalier, Pierre; Burczyk, Andrew

    2010-01-01

    The effect of ionic environment on sulphur mustard (bis 2-chloroethyl sulphide; HD) toxicity was examined in CHO-K1 cells. Cultures were treated with HD in different ionic environments at constant osmolar conditions (320 mOsM, pH 7.4). The cultures were refed with fresh culture medium 1 h after HD exposure, and viability was assessed. Little toxicity was apparent when HD exposures were carried out in ion-free sucrose buffer compared to LC 50 values of ∼ 100-150 μM when the cultures were treated with HD in culture medium. Addition of NaCl to the buffer increased HD toxicity in a salt concentration-dependent manner to values similar to those obtained in culture medium. HD toxicity was dependent on both cationic and anionic species with anionic environment playing a much larger role in determining toxicity. Substitution of NaI for NaCl in the treatment buffers increased HD toxicity by over 1000%. The activity of the sodium hydrogen exchanger (NHE) in recovering from cytosolic acidification in salt-free and in different chloride salts did not correlate with the HD-induced toxicity in these buffers. However, the inhibition by HD of intracellular pH regulation correlated with its toxicity in NaCl, NaI and sucrose buffers. Analytical chemical studies and the toxicity of the iodine mustard derivative ruled out the role of chemical reactions yielding differentially toxic species as being responsible for the differences in HD toxicity observed. This work demonstrates that the early events that HD sets into motion to cause toxicity are dependent on ionic environment, possibly due to intracellular pH deregulation.

  18. Notre Dame Geothermal Ionic Liquids Research: Ionic Liquids for Utilization of Geothermal Energy

    Energy Technology Data Exchange (ETDEWEB)

    Brennecke, Joan F. [Univ. of Notre Dame, IN (United States)

    2017-03-07

    The goal of this project was to develop ionic liquids for two geothermal energy related applications. The first goal was to design ionic liquids as high temperature heat transfer fluids. We identified appropriate compounds based on both experiments and molecular simulations. We synthesized the new ILs, and measured their thermal stability, measured storage density, viscosity, and thermal conductivity. We found that the most promising compounds for this application are aminopyridinium bis(trifluoromethylsulfonyl)imide based ILs. We also performed some measurements of thermal stability of IL mixtures and used molecular simulations to better understand the thermal conductivity of nanofluids (i.e., mixtures of ILs and nanoparticles). We found that the mixtures do not follow ideal mixture theories and that the addition of nanoparticles to ILs may well have a beneficial influence on the thermal and transport properties of IL-based heat transfer fluids. The second goal was to use ionic liquids in geothermally driven absorption refrigeration systems. We performed copious thermodynamic measurements and modeling of ionic liquid/water systems, including modeling of the absorption refrigeration systems and the resulting coefficients of performance. We explored some IL/organic solvent mixtures as candidates for this application, both with experimentation and molecular simulations. We found that the COPs of all of the IL/water systems were higher than the conventional system – LiBr/H2O. Thus, IL/water systems appear very attractive for absorption refrigeration applications.

  19. Simulations of phase transitions in ionic systems

    International Nuclear Information System (INIS)

    Panagiotopoulos, A Z

    2005-01-01

    A review of recent simulation work in the area of phase transitions in ionic systems is presented. The vapour-liquid transition for the restricted primitive model has been studied extensively in the past decade. The critical temperature is now known to excellent accuracy and the critical density to moderate accuracy. There is also strong simulation-based evidence that the model is in the Ising universality class. Discretized lattice versions of the model are reviewed. Other systems covered are size- and charge-asymmetric electrolytes, colloid-salt mixtures, realistic salt models and charged chains. Areas of future research needs are briefly discussed

  20. Isotope separation by ionic cyclotron resonance

    International Nuclear Information System (INIS)

    Compant La Fontaine, A.; Gil, C.; Louvet, P.

    1986-10-01

    The principle of the process of isotopic separation by ionic cyclotron resonance is explained succinctly. The theoretical calculation of the isotopic effect is given as functions of the electric and magnetic fields in the frame of single particle approximation and of plasma collective theory. Then, the main parts of the demonstration device which is in operation at the CEA, are described here: the supraconducting magnetic field, the used diagnostics, the principle of the source and the collecting apparatus. Some experimental results are given for chromium. The application of the process to ponderal separation of metal isotopes, as chromium, nickel and molybdenum is discussed in view of production of medical, structural and irradiation isotopes

  1. Pycnonuclear reaction rates for binary ionic mixtures

    Science.gov (United States)

    Ichimaru, S.; Ogata, S.; Van Horn, H. M.

    1992-01-01

    Through a combination of compositional scaling arguments and examinations of Monte Carlo simulation results for the interparticle separations in binary-ionic mixture (BIM) solids, we have derived parameterized expressions for the BIM pycnonuclear rates as generalizations of those in one-component solids obtained previously by Salpeter and Van Horn and by Ogata et al. We have thereby discovered a catalyzing effect of the heavier elements, which enhances the rates of reactions among the lighter elements when the charge ratio exceeds a critical value of approximately 2.3.

  2. Design of Separation Processes with Ionic Liquids

    DEFF Research Database (Denmark)

    Peng-noo, Worawit; Kulajanpeng, Kusuma; Gani, Rafiqul

    2015-01-01

    A systematic methodology for screening and designing of Ionic Liquid (IL)-based separation processes is proposed and demonstrated using several case studies of both aqueous and non-aqueous systems, for instance, ethanol + water, ethanol + hexane, benzene + hexane, and toluene + methylcyclohexane....... The best four ILs of each mixture are [mmim][dmp], [emim][bti], [emim][etso4] and [hmim][tcb], respectively. All of them were used as entrainers in the extractive distillation. A process simulation of each system was carried out and showed a lower both energy requirement and solvent usage as compared...

  3. Study of an ionic smoke sensor

    International Nuclear Information System (INIS)

    Mokhtari, Z; Holé, S; Lewiner, J

    2013-01-01

    Ionization smoke sensors are among the best smoke sensors; however, the little radioactive source they include is no longer desirable since it makes recycling more complicated. In this paper, we discuss an electrostatic system in which a corona discharge is used to generate the ions needed for smoke detection. We show how the velocity of ions is reduced in our system for a better interaction between smoke and drifting ions. The influence of smoke, temperature and moisture is studied. It is shown that the proposed sensor has good sensitivity compared with conventional ionic and optical smoke sensors. (paper)

  4. Study of an ionic smoke sensor

    Science.gov (United States)

    Mokhtari, Z.; Holé, S.; Lewiner, J.

    2013-05-01

    Ionization smoke sensors are among the best smoke sensors; however, the little radioactive source they include is no longer desirable since it makes recycling more complicated. In this paper, we discuss an electrostatic system in which a corona discharge is used to generate the ions needed for smoke detection. We show how the velocity of ions is reduced in our system for a better interaction between smoke and drifting ions. The influence of smoke, temperature and moisture is studied. It is shown that the proposed sensor has good sensitivity compared with conventional ionic and optical smoke sensors.

  5. Nonextensive statistical mechanics of ionic solutions

    International Nuclear Information System (INIS)

    Varela, L.M.; Carrete, J.; Munoz-Sola, R.; Rodriguez, J.R.; Gallego, J.

    2007-01-01

    Classical mean-field Poisson-Boltzmann theory of ionic solutions is revisited in the theoretical framework of nonextensive Tsallis statistics. The nonextensive equivalent of Poisson-Boltzmann equation is formulated revisiting the statistical mechanics of liquids and the Debye-Hueckel framework is shown to be valid for highly diluted solutions even under circumstances where nonextensive thermostatistics must be applied. The lowest order corrections associated to nonadditive effects are identified for both symmetric and asymmetric electrolytes and the behavior of the average electrostatic potential in a homogeneous system is analytically and numerically analyzed for various values of the complexity measurement nonextensive parameter q

  6. Solution structure of detergent micelles at conditions relevant to membrane protein crystallization.

    Energy Technology Data Exchange (ETDEWEB)

    Littrell, K.; Thiyagarajan, P.; Tiede, D.; Urban, V.

    1999-07-02

    In this study small angle neutron scattering was used to characterize the formation of micelles in aqueous solutions of the detergents DMG and SPC as a function of detergent concentration and ionic strength of the solvent. The effects on the micelle structure of the additives glycerol and PEG, alone as well as in combination typical for actual membrane protein crystallization, were also explored. This research suggests that the micelles are cigar-like in form at the concentrations studied. The size of the micelles was observed to increase with increasing ionic strength but decrease with the addition of glycerol or PEG.

  7. Direct observation of a non-isothermal crystallization process in precursor Li10GeP2S12 glass electrolyte

    Science.gov (United States)

    Tsukasaki, Hirofumi; Mori, Shigeo; Shiotani, Shinya; Yamamura, Hideyuki; Iba, Hideki

    2017-11-01

    Crystallization of a precursor Li10GeP2S12 (LGPS) glass electrolyte by heat treatment significantly improves its ionic conductivity. The LGPS crystalline phase obtained by heat treatment above 450 °C shows an ionic conductivity on the order of 10-2 S/cm. To clarify the correlation between the crystallization behavior of precursor LGPS glasses and ionic conductivity, we developed an observation technique to visualize precipitated nanocrystallites and a new method to evaluate the crystallization degree via transmission electron microscopy (TEM). In-situ TEM observation revealed that LGPS nanocrystallites precipitated above 450 °C and their size remained fundamentally intact during heating. That is, the crystallization behavior could be characterized by only the formation of LGPS nanocrystallites in an amorphous matrix. In addition, the crystallization degree was quantitatively evaluated from electron diffraction patterns. The crystallization degree remarkably increased at around 450 °C and reached more than 60% above 450 °C. Based on these results, a high ionic conductivity of approximately 1.0 × 10-2 S/cm was confirmed to be directly associated with the appearance of the LGPS crystalline phase.

  8. Excimer Formation Dynamics of Dipyrenyldecane in Structurally Different Ionic Liquids.

    Science.gov (United States)

    Yadav, Anita; Pandey, Siddharth

    2017-12-07

    Ionic liquids, being composed of ions alone, may offer alternative pathways for molecular aggregation. These pathways could be controlled by the chemical structure of the cation and the anion of the ionic liquids. Intramolecular excimer formation dynamics of a bifluorophoric probe, 1,3-bis(1-pyrenyl)decane [1Py(10)1Py], where the fluorophoric pyrene moieties are separated by a long decyl chain, is investigated in seven different ionic liquids in 10-90 °C temperature range. The long alkyl separator allows for ample interaction with the solubilizing milieu prior to the formation of the excimer. The ionic liquids are composed of two sets, one having four ionic liquids of 1-butyl-3-methylimidazolium cation ([bmim + ]) with different anions and the other having four ionic liquids of bis(trifluoromethylsulfonyl)imide anion ([Tf 2 N - ]) with different cations. The excimer-to-monomer emission intensity ratio (I E /I M ) is found to increase with increasing temperature in sigmoidal fashion. Chemical structure of the ionic liquid controls the excimer formation efficiency, as I E /I M values within ionic liquids with the same viscosities are found to be significantly different. The excited-state intensity decay kinetics of 1Py(10)1Py in ionic liquids do not adhere to a simplistic Birk's scheme, where only one excimer conformer forms after excitation. The apparent rate constants of excimer formation (k a ) in highly viscous ionic liquids are an order of magnitude lower than those reported in organic solvents. In general, the higher the viscosity of the ionic liquid, the more sensitive is the k a to the temperature with higher activation energy, E a . The trend in E a is found to be similar to that for activation energy of the viscous flow (E a,η ). Stokes-Einstein relationship is not followed in [bmim + ] ionic liquids; however, with the exception of [choline][Tf 2 N], it is found to be followed in [Tf 2 N - ] ionic liquids suggesting the cyclization dynamics of 1Py(10)1Py

  9. Protein Crystal Growth

    Science.gov (United States)

    2003-01-01

    In order to rapidly and efficiently grow crystals, tools were needed to automatically identify and analyze the growing process of protein crystals. To meet this need, Diversified Scientific, Inc. (DSI), with the support of a Small Business Innovation Research (SBIR) contract from NASA s Marshall Space Flight Center, developed CrystalScore(trademark), the first automated image acquisition, analysis, and archiving system designed specifically for the macromolecular crystal growing community. It offers automated hardware control, image and data archiving, image processing, a searchable database, and surface plotting of experimental data. CrystalScore is currently being used by numerous pharmaceutical companies and academic and nonprofit research centers. DSI, located in Birmingham, Alabama, was awarded the patent Method for acquiring, storing, and analyzing crystal images on March 4, 2003. Another DSI product made possible by Marshall SBIR funding is VaporPro(trademark), a unique, comprehensive system that allows for the automated control of vapor diffusion for crystallization experiments.

  10. Photonic crystal light source

    Science.gov (United States)

    Fleming, James G [Albuquerque, NM; Lin, Shawn-Yu [Albuquerque, NM; Bur, James A [Corrales, NM

    2004-07-27

    A light source is provided by a photonic crystal having an enhanced photonic density-of-states over a band of frequencies and wherein at least one of the dielectric materials of the photonic crystal has a complex dielectric constant, thereby producing enhanced light emission at the band of frequencies when the photonic crystal is heated. The dielectric material can be a metal, such as tungsten. The spectral properties of the light source can be easily tuned by modification of the photonic crystal structure and materials. The photonic crystal light source can be heated electrically or other heating means. The light source can further include additional photonic crystals that exhibit enhanced light emission at a different band of frequencies to provide for color mixing. The photonic crystal light source may have applications in optical telecommunications, information displays, energy conversion, sensors, and other optical applications.

  11. Development of Nanostructured Water Treatment Membranes Based on Thermotropic Liquid Crystals: Molecular Design of Sub-Nanoporous Materials.

    Science.gov (United States)

    Sakamoto, Takeshi; Ogawa, Takafumi; Nada, Hiroki; Nakatsuji, Koji; Mitani, Masato; Soberats, Bartolome; Kawata, Ken; Yoshio, Masafumi; Tomioka, Hiroki; Sasaki, Takao; Kimura, Masahiro; Henmi, Masahiro; Kato, Takashi

    2018-01-01

    Supply of safe fresh water is currently one of the most important global issues. Membranes technologies are essential to treat water efficiently with low costs and energy consumption. Here, the development of self-organized nanostructured water treatment membranes based on ionic liquid crystals composed of ammonium, imidazolium, and pyridinium moieties is reported. Membranes with preserved 1D or 3D self-organized sub-nanopores are obtained by photopolymerization of ionic columnar or bicontinuous cubic liquid crystals. These membranes show salt rejection ability, ion selectivity, and excellent water permeability. The relationships between the structures and the transport properties of water molecules and ionic solutes in the sub-nanopores in the membranes are examined by molecular dynamics simulations. The results suggest that the volume of vacant space in the nanochannel greatly affects the water and ion permeability.

  12. Ionic Liquid-Modified Thermosets and Their Nanocomposites: Dispersion, Exfoliation, Degradation, and Cure

    Science.gov (United States)

    Throckmorton, James A.

    properties and provide insight into the theory of the chemical and physical exfoliation of graphite crystals and the resulting polymer matrix dispersion. Cyanate Ester Cure: Dicyanamide-containing ionic liquids decrease the cure temperature of bi- and tri-functional CEs. During the cure reaction, the dicyanamide anion completely reacts and is incorporated into the triazine network. The cure effect was found in many dicyanamide-containing ionic liquids with diverse cations. This invention creates a novel, ionic thermoset polymer. The dicyanamide initiator provides an alternative to metal and hydroxyl catalysts (which have been shown to accelerate degradation and possess human and environmental toxicity). Additionally, the ionic character of the new polymer, rare among thermosets, lends itself to future research and novel applications. RTIL initiation also paves the way to new CE technologies, including RTIL-CE nanocomposites, prepared by graphite exfoliation and nanocomposite dispersion techniques developed herin.

  13. High Ionic Conductivity of Composite Solid Polymer Electrolyte via In Situ Synthesis of Monodispersed SiO2 Nanospheres in Poly(ethylene oxide).

    Science.gov (United States)

    Lin, Dingchang; Liu, Wei; Liu, Yayuan; Lee, Hye Ryoung; Hsu, Po-Chun; Liu, Kai; Cui, Yi

    2016-01-13

    High ionic conductivity solid polymer electrolyte (SPE) has long been desired for the next generation high energy and safe rechargeable lithium batteries. Among all of the SPEs, composite polymer electrolyte (CPE) with ceramic fillers has garnered great interest due to the enhancement of ionic conductivity. However, the high degree of polymer crystallinity, agglomeration of ceramic fillers, and weak polymer-ceramic interaction limit the further improvement of ionic conductivity. Different from the existing methods of blending preformed ceramic particles with polymers, here we introduce an in situ synthesis of ceramic filler particles in polymer electrolyte. Much stronger chemical/mechanical interactions between monodispersed 12 nm diameter SiO2 nanospheres and poly(ethylene oxide) (PEO) chains were produced by in situ hydrolysis, which significantly suppresses the crystallization of PEO and thus facilitates polymer segmental motion for ionic conduction. In addition, an improved degree of LiClO4 dissociation can also be achieved. All of these lead to good ionic conductivity (1.2 × 10(-3) S cm(-1) at 60 °C, 4.4 × 10(-5) S cm(-1) at 30 °C). At the same time, largely extended electrochemical stability window up to 5.5 V can be observed. We further demonstrated all-solid-state lithium batteries showing excellent rate capability as well as good cycling performance.

  14. Cation symmetry effect on the volatility of ionic liquids.

    Science.gov (United States)

    Rocha, Marisa A A; Coutinho, João A P; Santos, Luís M N B F

    2012-09-06

    This work reports the first data for the vapor pressures at several temperatures of the ionic liquids, [C(N/2)C(N/2)im][NTf(2)] (N = 4, 6, 8, 10, 12) measured using a Knudsen effusion apparatus combined with a quartz crystal microbalance. The morphology and the thermodynamic parameters of vaporization derived from the vapor pressures, are compared with those for the 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide series, [C(N-1)C(1)im][NTf(2)] (N = 3 - 9, 11, and 13). It was found that the volatility of [C(N/2)C(N/2)im][NTf(2)] series is significantly higher than the asymmetric cation ILs with the same total number of carbons in the alkyl side chains, [C(N-1)C(1)im][NTf(2)]. The observed higher volatility is related with the lower enthalpy of vaporization. The symmetric cation, [C(N/2)C(N/2)im][NTf(2)], presents lower entropies of vaporization compared with the asymmetric [C(N-1)C(1)im][NTf(2)], indicating an increase of the absolute liquid entropy in the symmetric cation ILs, being a reflection of a change of the ion dynamics in the IL liquid phase. Moreover both the enthalpy and entropy of vaporization of the [C(N/2)C(N/2)im][NTf(2)] ILs, present a clear odd-even effect with higher enthalpies/entropies of vaporization for the odd number of carbons in each alkyl chain ([C(3)C(3)im][NTf(2)] and [C(5)C(5)im][NTf(2)]).

  15. Ionic diffusion in superionic-conductor melts

    International Nuclear Information System (INIS)

    Tankeshwar, K.; Tosi, M.P.

    1991-03-01

    The self-diffusion coefficients D + and D - of the two ionic species in molten AgI, CuCl, CuBr and CuI are evaluated and contrasted with those calculated for molten NaCl. The evaluation adopts a simple model for liquid state dynamics, earlier proposed by Zwanzig to justify the Stokes-Einstein formula for monatomic fluids, and by suitable approximations relates the self-diffusion coefficients to pair potentials and to the pair structure of the melt. The results offer an interpretation for molecular dynamics data showing that, whereas for a ''normal'' system such as NaCl the ratio D + /D - in the melt is of the order unity, a sizable difference between D + and D - persists in salts melting from a fast-cation conducting solid. This difference is explicitly related to liquid structure through differences in the structural backscattering of cations by cations and of halogens by halogens. The calculated magnitudes of D + /D - are quite satisfactory, while the absolute magnitudes of D + and D - are in good agreement with the data only for those salts (AgI, CuBr and NaCl) in which the masses of the two ionic species are not greatly different. (author). 21 refs, 2 tabs

  16. Aerogels from Chitosan Solutions in Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Gonzalo Santos-López

    2017-12-01

    Full Text Available Chitosan aerogels conjugates the characteristics of nanostructured porous materials, i.e., extended specific surface area and nano scale porosity, with the remarkable functional properties of chitosan. Aerogels were obtained from solutions of chitosan in ionic liquids (ILs, 1-butyl-3-methylimidazolium acetate (BMIMAc, and 1-ethyl-3-methyl-imidazolium acetate (EMIMAc, in order to observe the effect of the solvent in the structural characteristics of this type of materials. The process of elaboration of aerogels comprised the formation of physical gels through anti-solvent vapor diffusion, liquid phase exchange, and supercritical CO2 drying. The aerogels maintained the chemical identity of chitosan according to Fourier transform infrared spectrophotometer (FT-IR spectroscopy, indicating the presence of their characteristic functional groups. The internal structure of the obtained aerogels appears as porous aggregated networks in microscopy images. The obtained materials have specific surface areas over 350 m2/g and can be considered mesoporous. According to swelling experiments, the chitosan aerogels could absorb between three and six times their weight of water. However, the swelling and diffusion coefficient decreased at higher temperatures. The structural characteristics of chitosan aerogels that are obtained from ionic liquids are distinctive and could be related to solvation dynamic at the initial state.

  17. Furfural production using ionic liquids: A review.

    Science.gov (United States)

    Peleteiro, Susana; Rivas, Sandra; Alonso, José Luis; Santos, Valentín; Parajó, Juan Carlos

    2016-02-01

    Furfural, a platform chemical with a bright future, is commercially obtained by acidic processing of xylan-containing biomass in aqueous media. Ionic liquids (ILs) can be employed in processed for furfural manufacture as additives, as catalysts and/or as reaction media. Depending on the IL utilized, externally added catalysts (usually, Lewis acids, Brönsted acids and/or solid acid catalysts) can be necessary to achieve high reaction yields. Oppositely, acidic ionic liquids (AILs) can perform as both solvents and catalysts, enabling the direct conversion of suitable substrates (pentoses, pentosans or xylan-containing biomass) into furfural. Operating in IL-containing media, the furfural yields can be improved when the product is continuously removed along the reaction (for example, by stripping or extraction), to avoid unwanted side-reactions leading to furfural consumption. These topics are reviewed, as well as the major challenges involved in the large scale utilization of ILs for furfural production. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Magnetic ionic liquids: synthesis and characterization

    International Nuclear Information System (INIS)

    Medeiros, Anderson M.M.S.; Parize, Alexandre L.; Oliveira, Vanda M.; Neto, Brenno A.D.; Rubim, Joel C.

    2010-01-01

    The synthesis of magnetic ionic liquids (MILs) based on the stable dispersions of magnetic nanoparticles (MNPs) of γ-Fe 2 O 3 , Fe 3 O 4 , and CoFe 2 O 4 in the ionic liquid 1-n-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (BMI.NTf 2 ) is reported. The MNPs were obtained by the coprecipitation method. The surface of the α-Fe 2 O 3 , Fe 3 O 4 , and CoFe 2 O 4 MNPs with mean sizes (XRD) of 9.3, 12.3, and 11.0 nm, respectively were functionalized by 1-n-butyl-3-(3'-trimethoxypropylsilane)- imidazolium chloride. The non functionalized and functionalized MNPs were further characterized by Raman, FTIR-ATR, and FTNIR spectroscopy and by TGA. The stability of the MILs was assigned to the formation of at least one monolayer of the surface modifier agent that mimics the structure of the BMI.NTf 2 IL. (author)

  19. Cellulose multilayer Membranes manufacture with Ionic liquid

    KAUST Repository

    Livazovic, Sara

    2015-05-09

    Membrane processes are considered energy-efficient for water desalination and treatment. However most membranes are based on polymers prepared from fossil petrochemical sources. The development of multilayer membranes for nanofiltration and ultrafiltration, with thin selective layers of naturally available cellulose has been hampered by the availability of non-aggressive solvents. We propose the manufacture of cellulose membranes based on two approaches: (i) silylation, coating from solutions in tetrahydrofuran, followed by solvent evaporation and cellulose regeneration by acid treatment; (ii) casting from solution in 1-ethyl-3-methylimidazolum acetate ([C2mim]OAc), an ionic liquid, followed by phase inversion in water. By these methods porous supports could be easily coated with semi-crystalline cellulose. The membranes were hydrophilic with contact angles as low as 22.0°, molecular weight cut-off as low as 3000 g mol-1 with corresponding water permeance of 13.8 Lm−2 h−1 bar−1. Self-standing cellulose membranes were also manufactured without porous substrate, using only ionic liquid as green solvent. This membrane was insoluble in water, tetrahydrofuran, hexane, N,N-dimethylformamide, 1-methyl-2-pyrrolidinone and N,N-dimethylacetamide.

  20. Strain induced ionic conductivity enhancement in epitaxial Ce0.9Gd0.1O22d

    DEFF Research Database (Denmark)

    Kant, K. Mohan; Esposito, Vincenzo; Pryds, Nini

    2012-01-01

    -plane ionic conductivity in CGO epitaxial thin films. The ionic conductivity is found to increase with decrease in buffer layer thickness. The tailored ionic conductivity enhancement is explained in terms of close relationships among epitaxy, strain, and ionic conductivity....

  1. Formamidinium iodide: crystal structure and phase transitions

    Directory of Open Access Journals (Sweden)

    Andrey A. Petrov

    2017-04-01

    Full Text Available At a temperature of 100 K, CH5N2+·I− (I, crystallizes in the monoclinic space group P21/c. The formamidinium cation adopts a planar symmetrical structure [the r.m.s. deviation is 0.002 Å, and the C—N bond lengths are 1.301 (7 and 1.309 (8 Å]. The iodide anion does not lie within the cation plane, but deviates from it by 0.643 (10 Å. The cation and anion of I form a tight ionic pair by a strong N—H...I hydrogen bond. In the crystal of I, the tight ionic pairs form hydrogen-bonded zigzag-like chains propagating toward [20-1] via strong N—H...I hydrogen bonds. The hydrogen-bonded chains are further packed in stacks along [100]. The thermal behaviour of I was studied by different physicochemical methods (thermogravimetry, differential scanning calorimetry and powder diffraction. Differential scanning calorimetry revealed three narrow endothermic peaks at 346, 387 and 525 K, and one broad endothermic peak at ∼605 K. The first and second peaks are related to solid–solid phase transitions, while the third and fourth peaks are attributed to the melting and decomposition of I. The enthalpies of the phase transitions at 346 and 387 K are estimated as 2.60 and 2.75 kJ mol−1, respectively. The X-ray powder diffraction data collected at different temperatures indicate the existence of I as the monoclinic (100–346 K, orthorhombic (346–387 K and cubic (387–525 K polymorphic modifications.

  2. Ionic Liquid-Based Ultrasonic/Microwave-Assisted Extraction of ...

    African Journals Online (AJOL)

    Conclusion: Compared with traditional methods, IL-UMAE method uses Ionic liquid-solvent which greatly shortens the extraction time. IL-UMAE as a simple, effective and environmentally friendly approach shows a broad prospect for active ingredient extraction. Keywords: Dioscorea zingiberensis Steroidal saponins, Ionic ...

  3. Synergistic extraction of europium(III) in ammonium ionic liquid

    International Nuclear Information System (INIS)

    Rout, Alok; Venkatesan, K.A.; Antony, M.P.

    2016-01-01

    Room temperature ionic liquids have been receiving increased attention for possible applications in the area of nuclear fuel reprocessing and waste management due to their fascinating properties such as good ionicity, high solvation capability, properties tunable etc. Most of the studies in the literature on the extraction of metal ions with molecular extractants dissolved in ionic liquid diluents are making use of the hydrophobic ionic liquids containing imidazolium cations such as the 1-alkyl-3-methylimidazolium ion. From an environmental point of view, such ionic liquids are not suitable as the primary mode of the metal extraction is by cation exchange mechanism wherein ionic liquid cation is lost to the aqueous phase leading to aqueous contamination and issue of recyclability of organic phase. However, there are some hydrophobic ionic liquids such as trioctylmethylammonium chloride ((N 1888 )(Cl)), and trihexyl(tetradecyl)phoshonium chloride (Cyphos IL 101) that exhibit no cation exchange in the aqueous phase during extraction. In this context, the extraction behavior of europium(III) using a neutral extractant, octyl, phenyl-N.N-diisobutylmethylcarbamoylphophinoxide (CMPO) and/or an acidic extractant bis(ethylhexyl)phosphoric acid (D2EHPA) dissolved in the ammonium ionic liquid diluent, trioctylmethylammonium bis(trifluoromethanesulfonyl)imide, (N 1888 )(NTf 2 ). The extraction behavior of CMPO (or D2EHPA)/(N 1888 )((Tf 2 ) system was investigated as a function of different extraction parameters such as feed acidity, extractant concentration, equilibration time etc.

  4. Antimicrobial polyurethane coatings based on ionic liquid quaternary ammonium compounds

    NARCIS (Netherlands)

    Yagci, M.B.; Bolca, S.; Heuts, J.P.A.; Ming, W.; With, de G.

    2011-01-01

    The antimicrobial effect of ionic liquids (ILs) as comonomers in polyurethane surface coatings was investigated. Ionic liquid-containing coatings were prepared from a hydroxyl end-capped liquid oligoester and a triisocyanate crosslinker. Three different commercially available hydroxyl end-capped

  5. Alternative route to metal halide free ionic liquids

    International Nuclear Information System (INIS)

    Takao, Koichiro; Ikeda, Yasuhisa

    2008-01-01

    An alternative synthetic route to metal halide free ionic liquids using trialkyloxonium salt is proposed. Utility of this synthetic route has been demonstrated by preparing 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid through the reaction between 1-methylimidazole and triethyloxonium tetra-fluoroborate in anhydrous ether. (author)

  6. Ionic Liquids and Green Chemistry: A Lab Experiment

    Science.gov (United States)

    Stark, Annegret; Ott, Denise; Kralisch, Dana; Kreisel, Guenter; Ondruschka, Bernd

    2010-01-01

    Although ionic liquids have been investigated as solvents for many applications and are starting to be used in industrial processes, only a few lab experiments are available to introduce students to these materials. Ionic liquids have been discussed in the context of green chemistry, but few investigations have actually assessed the degree of…

  7. Thermochemistry of ionic liquid heat-transfer fluids

    International Nuclear Information System (INIS)

    Van Valkenburg, Michael E.; Vaughn, Robert L.; Williams, Margaret; Wilkes, John S.

    2005-01-01

    Large-scale solar energy collectors intended for electric power generation require a heat-transfer fluid with a set of properties not fully met by currently available commercial materials. Ionic liquids have thermophysical and chemical properties that may be suitable for heat transfer and short heat term storage in power plants using parabolic trough solar collectors. Ionic liquids are salts that are liquid at or near room temperature. Thermal properties important for heat transfer applications are melting point, boiling point, liquidus range, heat capacity, heat of fusion, vapor pressure, and thermal conductivity. Other properties needed to evaluate the usefulness of ionic liquids are density, viscosity and chemical compatibility with certain metals. Three ionic liquids were chosen for study based on their range of solvent properties. The solvent properties correlate with solubility of water in the ionic liquids. The thermal and chemical properties listed above were measured or compiled from the literature. Contamination of the ionic liquids by impurities such as water, halides, and metal ions often affect physical properties. The ionic liquids were analyzed for those impurities, and the impact of the contamination was evaluated by standard addition. The conclusion is that the ionic liquids have some very favorable thermal properties compared to targets established by the Department of Energy for solar collector applications

  8. An Ionic Liquid Solution of Chitosan as Organocatalyst

    Directory of Open Access Journals (Sweden)

    René Wilhelm

    2013-11-01

    Full Text Available Chitosan, which is derived from the biopolymer chitin, can be readily dissolved in different ionic liquids. The resulting homogeneous solutions were applied in an asymmetric Aldol reaction. Depending on the type of ionic liquid used, high asymmetric inductions were found. The influence of different additives was also studied. The best results were obtained in [BMIM][Br] without an additive.

  9. Multi-responsive ionic liquid emulsions stabilized by microgels

    NARCIS (Netherlands)

    Monteillet, H.; Workamp, M.; Li, X.; Schuur, Boelo; Kleijn, J.M.; Leermakers, F.; Sprakel, J.

    2014-01-01

    We present a complete toolbox to use responsive ionic liquid (IL) emulsions for extraction purposes. IL emulsions stabilized by responsive microgels are shown to allow rapid extraction and reversible breaking and re-emulsification. Moreover, by using a paramagnetic ionic liquid, droplets can be

  10. Dynamic dielectrophoresis model of multi-phase ionic fluids.

    Directory of Open Access Journals (Sweden)

    Ying Yan

    Full Text Available Ionic-based dielectrophoretic microchips have attracted significant attention due to their wide-ranging applications in electro kinetic and biological experiments. In this work, a numerical method is used to simulate the dynamic behaviors of ionic droplets in a microchannel under the effect of dielectrophoresis. When a discrete liquid dielectric is encompassed within a continuous fluid dielectric placed in an electric field, an electric force is produced due to the dielectrophoresis effect. If either or both of the fluids are ionic liquids, the magnitude and even the direction of the force will be changed because the net ionic charge induced by an electric field can affect the polarization degree of the dielectrics. However, using a dielectrophoresis model, assuming ideal dielectrics, results in significant errors. To avoid the inaccuracy caused by the model, this work incorporates the electrode kinetic equation and defines a relationship between the polarization charge and the net ionic charge. According to the simulation conditions presented herein, the electric force obtained in this work has an error exceeding 70% of the actual value if the false effect of net ionic charge is not accounted for, which would result in significant issues in the design and optimization of experimental parameters. Therefore, there is a clear motivation for developing a model adapted to ionic liquids to provide precise control for the dielectrophoresis of multi-phase ionic liquids.

  11. Dynamic dielectrophoresis model of multi-phase ionic fluids.

    Science.gov (United States)

    Yan, Ying; Luo, Jing; Guo, Dan; Wen, Shizhu

    2015-01-01

    Ionic-based dielectrophoretic microchips have attracted significant attention due to their wide-ranging applications in electro kinetic and biological experiments. In this work, a numerical method is used to simulate the dynamic behaviors of ionic droplets in a microchannel under the effect of dielectrophoresis. When a discrete liquid dielectric is encompassed within a continuous fluid dielectric placed in an electric field, an electric force is produced due to the dielectrophoresis effect. If either or both of the fluids are ionic liquids, the magnitude and even the direction of the force will be changed because the net ionic charge induced by an electric field can affect the polarization degree of the dielectrics. However, using a dielectrophoresis model, assuming ideal dielectrics, results in significant errors. To avoid the inaccuracy caused by the model, this work incorporates the electrode kinetic equation and defines a relationship between the polarization charge and the net ionic charge. According to the simulation conditions presented herein, the electric force obtained in this work has an error exceeding 70% of the actual value if the false effect of net ionic charge is not accounted for, which would result in significant issues in the design and optimization of experimental parameters. Therefore, there is a clear motivation for developing a model adapted to ionic liquids to provide precise control for the dielectrophoresis of multi-phase ionic liquids.

  12. The Hildebrand Solubility Parameters of Ionic Liquids—Part 2

    Science.gov (United States)

    Marciniak, Andrzej

    2011-01-01

    The Hildebrand solubility parameters have been calculated for eight ionic liquids. Retention data from the inverse gas chromatography measurements of the activity coefficients at infinite dilution were used for the calculation. From the solubility parameters, the enthalpies of vaporization of ionic liquids were estimated. Results are compared with solubility parameters estimated by different methods. PMID:21747694

  13. The Hildebrand solubility parameters of ionic liquids-part 2.

    Science.gov (United States)

    Marciniak, Andrzej

    2011-01-01

    The Hildebrand solubility parameters have been calculated for eight ionic liquids. Retention data from the inverse gas chromatography measurements of the activity coefficients at infinite dilution were used for the calculation. From the solubility parameters, the enthalpies of vaporization of ionic liquids were estimated. Results are compared with solubility parameters estimated by different methods.

  14. The Hildebrand Solubility Parameters of Ionic Liquids—Part 2

    Directory of Open Access Journals (Sweden)

    Andrzej Marciniak

    2011-06-01

    Full Text Available The Hildebrand solubility parameters have been calculated for eight ionic liquids. Retention data from the inverse gas chromatography measurements of the activity coefficients at infinite dilution were used for the calculation. From the solubility parameters, the enthalpies of vaporization of ionic liquids were estimated. Results are compared with solubility parameters estimated by different methods.

  15. Absorption of Flue-Gas Components by Ionic Liquids

    DEFF Research Database (Denmark)

    Kolding, Helene; Thomassen, Peter Langelund; Mossin, Susanne

    2014-01-01

    Gas separation by ionic liquids (ILs) is a promising new research field with several potential applications of industrial interest. Thus cleaning of industrial off gases seems to be attractive by use of ILs and Supported Ionic Liquid Phase (SILP) materials. The potential of selected ILs...

  16. Interfacial Structure and Double Layer Capacitance of Ionic Liquids

    NARCIS (Netherlands)

    Jitvisate, Monchai

    2018-01-01

    Ionic liquids are organic salts that are in liquid phase at room temperature. Their wide liquidus range, particularly at room temperature, results from the liquids’ large and asymmetric molecular geometry. This leads to a collection of unique properties, such as, high ionic strength, extremely low

  17. Synthesis and polymerization of vinyl triazolium ionic liquids

    Science.gov (United States)

    Luebke, David; Nulwala, Hunaid; Matyjaszewski, Krzysztof; Adzima, Brian

    2018-05-15

    Herein, we describe polymerized ionic liquids, demonstrate the synthesis of polymerized ionic liquids, and demonstrate the polymerization of triazolium monomers. One embodiment shows the polymeriazation of the triazolium monomers with bis(trifluoromethanesulfonyl)imide anions. In another embodiment we show the feasibility of copolymerizing with commodity monomers such as styrene using free radical polymerization techniques.

  18. Electrochemical behavior of ionically crosslinked polyampholytic gel electrolytes

    International Nuclear Information System (INIS)

    Chen Wanyu; Tang Haitao; Ou Ziwei; Wang Hong; Yang Yajiang

    2007-01-01

    An ionic complex of anionic and cationic monomers was obtained by protonation of (N,N-diethylamino)ethylmethacrylate (DEA) with acrylic acid (AAc). Free radical copolymerization of the ionic complex and acrylamide (AAm), yielded the ionically crosslinked polyampholytic gel electrolytes [poly(AAc-DEA-AAm), designated as PADA] using two types of organic solvents containing a lithium salt. The PADA gel electrolyte exhibited good thermal stability shown by the DSC thermogram. The impedance analysis at temperatures ranging from -30 to 75 deg. C indicated that the ionic conductivities of the PADA gel electrolytes were rather close to those of liquid electrolytes. The temperature dependence of the ionic conductivities was found to be in accord with the Arrhenius equation. Moreover, the ionic conductivities of PADA gel electrolytes increased with an increase of the molar ratios of cationic/anionic monomers. The ionic conductivities of PADA gels prepared in solvent mixtures of propylene carbonate, ethyl methyl ether and dioxolane (3:1:1, v/v) were higher than those of PADA gels prepared in propylene carbonate only. Significantly, the ionic conductivities of two kinds of PADA gel electrolytes were in the range of 10 -3 and 10 -4 S cm -1 even at -30 deg. C. The electrochemical windows of PADA gel electrolytes measured by cyclic voltammetry were in the range from -1 V to 4.5 V

  19. Near-wall molecular ordering of dilute ionic liquids

    NARCIS (Netherlands)

    Jitvisate, Monchai; Seddon, James Richard Thorley

    2017-01-01

    The interfacial behavior of ionic liquids promises tunable lubrication as well as playing an integral role in ion diffusion for electron transfer. Diluting the ionic liquids optimizes bulk parameters, such as electric conductivity, and one would expect dilution to disrupt the near-wall molecular

  20. Reversible physical absorption of SO2 by ionic liquids

    DEFF Research Database (Denmark)

    Huang, Jun; Riisager, Anders; Fehrmann, Rasmus

    2006-01-01

    Ionic liquids can reversibly absorb large amounts of molecular SO2 gas under ambient conditions with the gas captured in a restricted configuration, possibly allowing SO2 to probe the internal cavity structures in ionic liquids besides being useful for SO2 removal in pollution control....

  1. Polymer synthesis in ionic liquids : towards a green industry

    NARCIS (Netherlands)

    Guerrero-Sanchez, C.A.; Schubert, U.S.

    2004-01-01

    The screening of six ionic liqs. used as reaction media in free radical polymn. of Me methacrylate and styrene was performed. AIBN was used as initiator for the polymn. of Me methacrylate and benzoyl peroxide in the case of styrene. Soly. of the used ionic liqs. in these monomers and water was also

  2. Selective Oxidative Carbonylation of Aniline to Diphenylurea with Ionic Liquids

    DEFF Research Database (Denmark)

    Zahrtmann, Nanette; Claver, Carmen; Godard, Cyril

    2018-01-01

    A catalytic system for the selective oxidative carbonylation of aniline to diphenylurea based on Pd complexes in combination with imidazolium ionic liquids is presented. Both oxidants, Pd complexes and ionic liquids affect the activity of the reaction while the choice of oxidant determines...

  3. CO2 sorption by supported amino acid ionic liquids

    DEFF Research Database (Denmark)

    2014-01-01

    The present invention concerns the absorption and desorption behaviour of carbon dioxide (CO2) using ionic liquids derived from amino acids adsorbed on porous carrier materials.......The present invention concerns the absorption and desorption behaviour of carbon dioxide (CO2) using ionic liquids derived from amino acids adsorbed on porous carrier materials....

  4. Ionic liquids and green chemistry : a lab experiment

    NARCIS (Netherlands)

    Stark, A.; Ott-Reinhardt, D.; Kralisch, D.; Kreisel, G.; Ondruschka, B.

    2010-01-01

    Although ionic liquids have been investigated as solvents for many applications and are starting to be used in industrial processes, only a few lab experiments are available to introduce students to these materials. Ionic liquids have been discussed in the context of green chemistry, but few

  5. Molecular simulation of ionic liquids: current status and future opportunities

    International Nuclear Information System (INIS)

    Maginn, E J

    2009-01-01

    Ionic liquids are salts that are liquid near ambient conditions. Interest in these unusual compounds has exploded in the last decade, both at the academic and commercial level. Molecular simulations based on classical potentials have played an important role in helping researchers understand how condensed phase properties of these materials are linked to chemical structure and composition. Simulations have also predicted many properties and unexpected phenomena that have subsequently been confirmed experimentally. The beneficial impact molecular simulations have had on this field is due in large part to excellent timing. Just when computing power and simulation methods matured to the point where complex fluids could be studied in great detail, a new class of materials virtually unknown to experimentalists came on the scene and demanded attention. This topical review explores some of the history of ionic liquid molecular simulations, and then gives examples of the recent use of molecular dynamics and Monte Carlo simulation in understanding the structure of ionic liquids, the sorption of small molecules in ionic liquids, the nature of ionic liquids in the vapor phase and the dynamics of ionic liquids. This review concludes with a discussion of some of the outstanding problems facing the ionic liquid modeling community and how condensed phase molecular simulation experts not presently working on ionic liquids might help advance the field. (topical review)

  6. Absorption and oxidation of no in ionic liquids

    DEFF Research Database (Denmark)

    2013-01-01

    The present invention concerns the absorption and in situ oxidation of nitric oxide (NO) in the presence of water and oxygen in ionic liquid compositions at ambient temperature.......The present invention concerns the absorption and in situ oxidation of nitric oxide (NO) in the presence of water and oxygen in ionic liquid compositions at ambient temperature....

  7. Natural gas purification using supported ionic liquid membrane

    NARCIS (Netherlands)

    Althuluth, M.A.M.; Overbeek, J.P.; Wees, H.J.; Zubeir, L.F.; Haije, W.G.; Berrouk, A.S.; Peters, C.J.; Kroon, M.C.

    2015-01-01

    This paper examines the possibility of the application of a supported ionic liquid membrane (SILM) for natural gas purification. The ionic liquid (IL) 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([emim][FAP]) was impregnated successfully in the ¿-alumina layer of a tubular

  8. Corrosion behavior of construction materials for ionic liquid hydrogen compressor

    DEFF Research Database (Denmark)

    Arjomand Kermani, Nasrin; Petrushina, Irina; Nikiforov, Aleksey Valerievich

    2016-01-01

    The corrosion behavior of various commercially available stainless steels and nickel-based alloys as possible construction materials for components which are in direct contact with one of five different ionic liquids was evaluated. The ionic liquids, namely: 1-ethyl-3-methylimidazolium triflate, 1...... liquid hydrogen compressor. An electrochemical cell was specially designed, and steady-state cyclic voltammetry was used to measure the corrosion resistance of the alloys in the ionic liquids at 23 °C, under atmospheric pressure. The results showed a very high corrosion resistance and high stability...... for all the alloys tested. The two stainless steels, AISI 316L and AISI 347 showed higher corrosion resistance compared to AISI 321 in all the ionic liquids tested. It was observed that small addition of molybdenum, tantalum, and niobium to the alloys increased the corrosion stability in the ionic liquids...

  9. Recent development of ionic liquid stationary phases for liquid chromatography.

    Science.gov (United States)

    Shi, Xianzhe; Qiao, Lizhen; Xu, Guowang

    2015-11-13

    Based on their particular physicochemical characteristics, ionic liquids have been widely applied in many fields of analytical chemistry. Many types of ionic liquids were immobilized on a support like silica or monolith as stationary phases for liquid chromatography. Moreover, different approaches were developed to bond covalently ionic liquids onto the supporting materials. The obtained ionic liquid stationary phases show multi-mode mechanism including hydrophobic, hydrophilic, hydrogen bond, anion exchange, π-π, and dipole-dipole interactions. Therefore, they could be used in different chromatographic modes including ion-exchange, RPLC, NPLC and HILIC to separate various classes of compounds. This review mainly summarizes the immobilized patterns and types of ionic liquid stationary phases, their retention mechanisms and applications in the recent five years. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Characterization and Functionality of Immidazolium Ionic Liquids Modified Magnetic Nanoparticles

    Directory of Open Access Journals (Sweden)

    Ying Li

    2013-01-01

    Full Text Available 1,3-Dialkylimidazolium-based ionic liquids were chemically synthesized and bonded on the surface of magnetic nanoparticles (MNPs with easy one-step reaction. The obtained six kinds of ionic liquid modified MNPs were characterized with transmission electron microscopy, thermogravimetric analysis, magnetization, and FTIR, which owned the high adsorption capacity due to the nanometer size and high-density modification with ionic liquids. Functionality of MNPs with ionic liquids greatly influenced the solubility of the MNPs with organic solvents depending on the alkyl chain length and the anions of the ionic liquids. Moreover, the obtained MNPs showed the specific extraction efficiency to organic pollutant, polycyclic aromatic hydrocarbons, while superparamagnetic property of the MNPs facilitated the convenient separation of MNPs from the bulks water samples.

  11. Visualization of ionic wind in laminar jet flames

    KAUST Repository

    Park, Daegeun

    2017-07-03

    Electric field, when it is applied to hydrocarbon flames, generates ionic wind due to the electric body force on charge carrying species. Ionic wind has been shown to influence soot emission, propagation speed, and stability of flames; however, a detailed behavior of ionic wind and its effects on flames is still not clear. Here, we investigated the dynamic behaviors of flames and ionic wind in the presence of direct current (DC) and alternating current (AC) electric fields in nonpremixed and premixed jet flames with a jet nozzle placed between two parallel electrodes. We observed a skewed flame toward a lower potential electrode with DC and lower frequency AC (e.g., 10Hz) and a steady flame with higher frequencies AC (1000Hz), while we found that the ionic wind blew toward both the anode and cathode regardless of flame type (nonpremixed or premixed) or the source of the electric field (DC and AC).

  12. Simultaneous Design of Ionic Liquids and Azeotropic Separation Processes

    DEFF Research Database (Denmark)

    Roughton, Brock C.; White, John; Camarda, Kyle V.

    2011-01-01

    A methodology for the design of azeotrope separation processes using ionic liquids as entrainers is outlined. A Hildebrand solubility parameter group contribution model has been developed to screen for or design an ionic liquid entrainer that is soluble with the azeotropic components. Using the b...... % [BMPy][BF4] added. The driving force concept is used to design an extractive distillation process that minimizes energy inputs. The methodology given can be expanded to the use of ionic liquids as entrainers in any azeotropic system of interest.......A methodology for the design of azeotrope separation processes using ionic liquids as entrainers is outlined. A Hildebrand solubility parameter group contribution model has been developed to screen for or design an ionic liquid entrainer that is soluble with the azeotropic components. Using...

  13. Absorption and oxidation of nitrogen oxide in ionic liquids

    DEFF Research Database (Denmark)

    Kunov-Kruse, Andreas Jonas; Thomassen, Peter Langelund; Riisager, Anders

    2016-01-01

    A new strategy for capturing nitrogen oxide, NO, from the gas phase is presented. Dilute NO gas is removed from the gas phase by ionic liquids under ambient conditions. The nitrate anion of the ionic liquid catalyzes the oxidation of NO to nitric acid by atmospheric oxygen in the presence of water....... The nitric acid is absorbed in the ionic liquid up to approximately one mole HNO3 per mole of the ionic liquid due to the formation of hydrogen bonds. The nitric acid can be desorbed by heating, thereby regenerating the ionic liquid with excellent reproducibility. Here, time-resolved in-situ spectroscopic...... investigations of the reaction and products are presented. The procedure reveals a new vision for removing the pollutant NO by absorption into a non-volatile liquid and converting it into a useful bulk chemical, that is, HNO3....

  14. Protic Cationic Oligomeric Ionic Liquids of the Urethane Type

    DEFF Research Database (Denmark)

    Shevchenko, V. V.; Stryutsky, A. V.; Klymenko, N. S.

    2014-01-01

    Protic oligomeric cationic ionic liquids of the oligo(ether urethane) type are synthesized via the reaction of an isocyanate prepolymer based on oligo(oxy ethylene)glycol with M = 1000 with hexamethylene-diisocyanate followed by blocking of the terminal isocyanate groups with the use of amine...... derivatives of imidazole, pyridine, and 3-methylpyridine and neutralization of heterocycles with ethanesulfonic acid and p-toluenesulfonic acid. The structures and properties of the synthesized oligomeric ionic liquids substantially depend on the structures of the ionic groups. They are amorphous at room...... temperature, but ethanesulfonate imidazolium and pyridinium oligomeric ionic liquids form a low melting crystalline phase. The proton conductivities of the oligomeric ionic liquids are determined by the type of cation in the temperature range 80-120 degrees C under anhydrous conditions and vary within five...

  15. Natural defects and defects created by ionic implantation in zinc tellurium

    International Nuclear Information System (INIS)

    Roche, J.P.; Dupuy, M.; Pfister, J.C.

    1977-01-01

    Various defects have been studied in ZnTe crystals by transmission electron microscope and by scanning electron microscope in cathodo-luminescence mode: grain boundaries, sub-grain boundaries, twins. Ionic implants of boron (100 keV - 2x10 14 and 10 15 ions cm -2 ) were made on these crystals followed by isochrone annealing (30 minutes) of zinc under partial pressure at 550, 650 and 750 0 C. The nature of the defects was determined by transmission electron microscope: these are interstitial loops (b=1/3 ) the size of which varies between 20 A (non-annealed sample) and 180A (annealed at 750 0 C). The transmission electron microscope was also used to make concentration profiles of defects depending on depth. It is found that for the same implant (2x10 14 ions.cm -2 ), the defect peak moves towards the exterior of the crystal as the annealing temperature rises (400 - 1000 and 7000 A for the three annealings). These results are explained from a model which allows for the coalescence of defects and considers the surface of the sample as being the principal source of vacancies. During the annealings, the migration of vacancies brings about the gradual annihilation of the implant defects. The adjustment of certain calculation parameters on the computer result in giving 2 eV as energy value for the formation of vacancies [fr

  16. Atomistic simulation of ionic and electronic defects in YBa2Cu3O7

    International Nuclear Information System (INIS)

    Baetzold, R.C.

    1988-01-01

    An empirical two-body potential model has been developed in order to describe the electronic and ionic defect properties of orthorhombic YBa 2 Cu 3 O 7 . The potential model was derived starting from known potentials and calculated potentials and fits the crystal structure to better than 0.03 A for the major bonds. Oxygen vacancy formation and hole trapping as a localized polaron are most favorable at the chain oxygen ion site 1. Hole trapping on Cu + ions is most favorable for ions in the copper-oxygen plane. Divalent impurity ions such as Ni/sup 2+/, Zn/sup 2+/, and Cd/sup 2+/ can dissolve in the crystal preferentially at the Cu/sup 2+/ plane site 2. On the other hand, trivalent impurities such as Al/sup 3+/, Fe/sup 3+/, and Ga/sup 3+/ dissolve in the crystal at the chain Cu/sup 2+/ site 1 along with the incorporation of oxygen ions. Anions such as S/sup 2-/, Cl - or F - would preferentially substitute for O/sup 2-/ at sites near the Cu/sup 2+/ chain position

  17. Recent applications of ionic liquids in the sol-gel process for polymer-silica nanocomposites with ionic interfaces

    Czech Academy of Sciences Publication Activity Database

    Donato, K. Z.; Matějka, Libor; Mauler, R. S.; Donato, R. K.

    2017-01-01

    Roč. 1, č. 1 (2017), s. 1-25, č. článku 5. E-ISSN 2504-5377 Institutional support: RVO:61389013 Keywords : ionic liquids * sol-gel * ionic interfaces Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science

  18. Defect structure of yttria-stabilized zirconia and its influence on the ionic conductivity at elevated temperatures

    DEFF Research Database (Denmark)

    Goff, J.P.; Hayes, W.; Hull, S.

    1999-01-01

    The defect structure of cubic fluorite structured yttria-stabilized zirconia (ZrO2)(1-x)(Y2O3)(x) has been investigated over the composition range 0.100(3)less than or equal to x less than or equal to 0.241 (10) and temperatures T(K) up to 2780(10) K, using single-crystal specimens. Analysis of n......, we propose that the anomalous decrease in the ionic conductivity with increasing x is a consequence of the decreasing mobility of the isolated defects, possibly due to blockage by the increasing number of static aggregates....

  19. Solid State Ionics Advanced Materials for Emerging Technologies

    Science.gov (United States)

    Chowdari, B. V. R.; Careem, M. A.; Dissanayake, M. A. K. L.; Rajapakse, R. M. G.; Seneviratne, V. A.

    2006-06-01

    SiO[symbol]) ceramics via solid state sintering of Zr)[symbol] and SiO[symbol] and the effect of dopants on the zircon yield / U. Dhanayake, B. S. B. Karunaratne. Preparation and properties of vanadium doped ZnTe cermet thin films / M. S. Hossain, R. Islam, K. A. Khan. Dynamical properties and electronic structure of lithium-ion conductor / M. Kobayashi ... [et al.]. Cuprous ion conducting Montmorillonite-Polypyrrole nanocomposites / D. M. M. Krishantha ... [et al.]. Frequency dependence of conductivity studies on a newly synthesized superionic solid solution/mixed system: [0.75AgI: 0.25AgCl] / R. K. Nagarch, R. Kumar. Diffuse X-ray and neutron scattering from Powder PbS / X. Lian ... [et al.]. Electron affinity and work function of Pyrolytic MnO[symbol] thin films prepared from Mn(C[symbol]H[symbol]O[symbol])[symbol].4H[symbol]) / A. K. M. Farid Ul Islam, R. Islam, K. A. Khan. Crystal structure and heat capacity of Ba[symbol]Ca[symbol]Nb[symbol]O[symbol] / T. Shimoyama ... [et al.]. XPS and impedance investigations on amorphous vanadium oxide thin films / M. Kamalanathan ... [et al.]. Sintering and mixed electronic-ionic conducting properties of La[symbol]Sr[symbol]NiO[symbol] derived from a polyaminocarboxylate complex precursor / D.-P. Huang ... [et al.]. Preparation and characteristics of ball milled MgH[symbol] + M (M= Fe, VF[symbol] and FeF[symbol]) nanocomposites for hydrogen storage / N. W. B. Balasooriya, Ch. Poinsignon. Structural studies of oxysulfide glasses by X-ray diffraction and molecular dynamics simulation / R. Prasada Rao, M. Seshasayee, J. Dheepa. Synthesis, sintering and oxygen ionic conducting properties of Bi[symbol]V[symbol]Cu[symbol]O[symbol] / F. Zhang ... [et al.]. Synthesis and transport characteristics of PbI[symbol]-Ag[symbol]O-Cr[symbol]O[symbol] superioninc system / S. A. Suthanthiraraj, V. Mathew. Electronic conductivity of La[symbol]Sr[symbol]Ga[symbol]Mg[symbol]Co[symbol]O[symbol] electrolytes / K. Yamaji ... [et al.] -- pt. II. Electrode materials

  20. Cellulose ionics: switching ionic diode responses by surface charge in reconstituted cellulose films.

    Science.gov (United States)

    Aaronson, Barak D B; Wigmore, David; Johns, Marcus A; Scott, Janet L; Polikarpov, Igor; Marken, Frank

    2017-09-25

    Cellulose films as well as chitosan-modified cellulose films of approximately 5 μm thickness, reconstituted from ionic liquid media onto a poly(ethylene-terephthalate) (PET, 6 μm thickness) film with a 5, 10, 20, or 40 μm diameter laser-drilled microhole, show significant current rectification in aqueous NaCl. Reconstituted α-cellulose films provide "cationic diodes" (due to predominant cation conductivity) whereas chitosan-doped cellulose shows "anionic diode" effects (due to predominant anion conductivity). The current rectification, or "ionic diode" behaviour, is investigated as a function of NaCl concentration, pH, microhole diameter, and molecular weight of the chitosan dopant. Future applications are envisaged exploiting the surface charge induced switching of diode currents for signal amplification in sensing.