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Sample records for 1-alkyl-3-methylimidazolium chloride ionic

  1. Synthesis and micellar properties of surface-active ionic liquids: 1-alkyl-3-methylimidazolium chlorides.

    PubMed

    El Seoud, Omar A; Pires, Paulo Augusto R; Abdel-Moghny, Thanaa; Bastos, Erick L

    2007-09-01

    A series of surface-active ionic liquids, RMeImCl, has been synthesized by the reaction of purified 1-methylimidazole and 1-chloroalkanes, RCl, R=C(10),C(12),C(14), and C(16), respectively. Adsorption and aggregation of these surfactants in water have been studied by surface tension measurement. Additionally, solution conductivity, electromotive force, fluorescence quenching of micelle-solubilized pyrene, and static light scattering have been employed to investigate micelle formation. The following changes resulted from an increase in the length of R: an increase of micelle aggregation number; a decrease of: minimum area/surfactant molecule at solution/air interface; critical micelle concentration, and degree of counter-ion dissociation. Theoretically-calculated aggregation numbers and those based on quenching of pyrene are in good agreement. Gibbs free energies of adsorption at solution/air interface, DeltaG(ads)(0), and micelle formation in water, DeltaG(mic)(0), were calculated, and compared to those of three surfactant series, alkylpyridinium chlorides, RPyCl, alkylbenzyldimethylammonium chlorides, RBzMe(2)Cl, and benzyl(3-acylaminoethyl)dimethylammonium chlorides, R(')AEtBzMe(2)Cl, respectively. Contributions to the above-mentioned Gibbs free energies from surfactant methylene groups (in the hydrophobic tail) and the head-group were calculated. For RMeImCl, the former energy is similar to that of other cationic surfactants. The corresponding free energy contribution of the head-group to DeltaG(mic)(0) showed the following order: RPyCl approximately RBzMe(2)Cl>RMeImCl>R(')AEtBzMe(2)Cl. The head-groups of the first two surfactant series are more hydrophobic than the imidazolium ring of RMeImCl, this should favor their aggregation. Micellization of RMeImCl, however, is driven by a relatively strong hydrogen-bonding between the chloride ion and the hydrogens in the imidazolium ring, in particular the relatively acidic H2. This interaction more than compensates for

  2. Galleria mellonella as a novel in vivo model for assessment of the toxicity of 1-alkyl-3-methylimidazolium chloride ionic liquids.

    PubMed

    Megaw, Julianne; Thompson, Thomas P; Lafferty, Ryan A; Gilmore, Brendan F

    2015-11-01

    The larval form of the Greater Wax Moth (Galleria mellonella) was evaluated as a model system for the study of the acute in vivo toxicity of 1-alkyl-3-methylimidazolium chloride ionic liquids. 24-h median lethal dose (LD50) values for nine of these ionic liquids bearing alkyl chain substituents ranging from 2 to 18 carbon atoms were determined. The in vivo toxicity of the ionic liquids was found to correlate directly with the length of the alkyl chain substituent, and the pattern of toxicity observed was in accordance with previous studies of ionic liquid toxicity in other living systems, including a characteristic toxicity 'cut-off' effect. However, G. mellonella appeared to be more susceptible to the toxic effects of the ionic liquids tested, possibly as a result of their high body fat content. The results obtained in this study indicate that G. mellonella represents a sensitive, reliable and robust in vivo model organism for the evaluation of ionic liquid toxicity.

  3. Surface active ionic liquids: study of the micellar properties of 1-(1-alkyl)-3-methylimidazolium chlorides and comparison with structurally related surfactants.

    PubMed

    Galgano, Paula D; El Seoud, Omar A

    2011-09-01

    The impetus for the increasing interest in studying surface active ionic liquids (SAILs; ionic liquids with long-chain "tails") is the enormous potential for their applications, e.g., in nanotechnology and biomedicine. The progress in these fields rests on understanding the relationship between surfactant structure and solution properties, hence applications. This need has prompted us to extend our previous study on 1-(1-hexadecyl)-3-methylimidazolium chloride to 1-(1-alkyl)-3-methylimidazolium chlorides, with alkyl chains containing 10, 12, and 14 carbons. In addition to investigating relevant micellar properties, we have compared the solution properties of the imidazolium-based surfactants with: 1-(1-alkyl)pyridinium chlorides, and benzyl (2-acylaminoethyl)dimethylammonium chlorides. The former series carries a heterocyclic ring head-group, but does not possess a hydrogen that is as acidic as H2 of the imidazolium ring. The latter series carries an aromatic ring, a quaternary nitrogen and (a hydrogen-bond forming) amide group. The properties of the imidazolium and pyridinium surfactants were determined in the temperature range from 15 to 75°C. The techniques employed were conductivity, isothermal titration calorimetry, and static light scattering. The results showed the important effects of the interactions in the interfacial region on the micellar properties over the temperature range studied.

  4. Effects of alkyl chain length on properties of 1-alkyl-3-methylimidazolium fluorohydrogenate ionic liquid crystals.

    PubMed

    Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika

    2010-11-15

    A series of 1-alkyl-3-methylimidazolium fluorohydrogenate salts (C(x)MIm(FH)(2)F, x=8, 10, 12, 14, 16, and 18) have been characterized by thermal analysis, polarized optical microscopy, IR spectroscopy, X-ray diffraction, and anisotropic ionic conductivity measurements. Liquid crystalline mesophases with a smectic A interdigitated bilayer structure are observed from C(10) to C(18), showing a fan-like or focal conic texture. The temperature range of the mesophase increases with the increase in the alkyl chain length (from 10.1 °C for C(10)MIm(FH)(2)F to 123.1 °C for C(18)MIm(FH)(2)F). The distance between the two layers in the smectic structure gradually increases with increasing alkyl chain length and decreases with increasing temperature. Conductivity parallel to the smectic layers is around 10 mS cm(-1) regardless of the alkyl chain length, whereas that perpendicular to the smectic layers decreases with increasing alkyl chain length because of the thicker insulating sheet with the longer alkyl chain.

  5. Effect of water on the carbon dioxide absorption by 1-alkyl-3-methylimidazolium acetate ionic liquids.

    PubMed

    Stevanovic, Stéphane; Podgoršek, Ajda; Pádua, Agilio A H; Costa Gomes, Margarida F

    2012-12-13

    The absorption of carbon dioxide by the pure ionic liquids 1-ethyl-3-methylimidazolium acetate ([C(1)C(2)Im][OAc]) and 1-butyl-3-methylimidazolium acetate ([C(1)C(4)Im][OAc]) was studied experimentally from 303 to 343 K. As expected, the mole fraction of absorbed carbon dioxide is high (0.16 at 303 K and 5.5 kPa and 0.19 at 303 and 9.6 KPa for [C(1)C(2)Im][OAc] and [C(1)C(4)Im][OAc], respectively), does not obey Henry's law, and is compatible with the chemisorption of the gas by the liquid. Evidence of a chemical reaction between the gas and the liquid was found both by NMR and by molecular simulation. In the presence of water, the properties of the liquid absorber significantly change, especially the viscosity that decreases by as much as 25% (to 78 mPa s) and 30% (to 262 mPa s) in the presence of 0.2 mol fraction of water for [C(1)C(2)Im][OAc] and [C(1)C(2)Im][OAc] at 303 K, respectively. The absorption of carbon dioxide decreases when the water concentration increases: a decrease of 83% in CO(2) absorption is found for [C(1)C(4)Im][OAc] with 0.6 mol fraction of water at 303 K. It is proved in this work, by combining experimental data with molecular simulation, that the presence of water not only renders the chemical reaction between the gas and the ionic liquid less favorable but also lowers the (physical) solubility of the gas as it competes by the same solvation sites of the ionic liquid. The lowering of the viscosity of the liquid absorbent largely compensates these apparent drawbacks and the mixtures of [C(1)C(2)Im][OAc] and [C(1)C(2)Im][OAc] with water seem promising to be used for carbon dioxide capture.

  6. CO2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbene.

    PubMed

    Yan, Fangyong; Dhumal, Nilesh R; Kim, Hyung J

    2017-01-04

    Ionic liquids (ILs) provide a promising medium for CO2 capture. Recently, the family of ILs comprising imidazolium-based cations and acetate anions, such as 1-ethyl-3-methylimidazolium acetate (EMI(+)OAc(-)), has been found to react with CO2 and form carboxylate compounds. N-Heterocyclic carbene (NHC) is widely assumed to be responsible by directly reacting with CO2 though NHC has not been detected in these ILs. Herein, a computational analysis of CO2 capture in EMI(+)OAc(-) is presented. Quantum chemistry calculations predict that NHC is unstable in a polar environment, suggesting that NHC is not formed in EMI(+)OAc(-). Ab initio molecular dynamics simulations indicate that an EMI(+) ion "activated" by the approach of a CO2 molecule can donate its acidic proton to a neighboring OAc(-) anion and form a carboxylate compound with the CO2 molecule. Analysis of this termolecular process indicates that the EMI(+)-to-OAc(-) proton transfer and the formation of 1-ethyl-3-methylimidazolium-2-carboxylate occur essentially concurrently. Based on these findings, a novel concerted mechanism that does not involve NHC is proposed for CO2 capture.

  7. Molecular dynamics simulation of the structure and dynamics of water-1-alkyl-3-methylimidazolium ionic liquid mixtures.

    PubMed

    Méndez-Morales, Trinidad; Carrete, Jesús; Cabeza, Oscar; Gallego, Luis J; Varela, Luis M

    2011-06-02

    We have performed extensive molecular dynamic simulations to analyze the influence of cation and anion natures, and of water concentration, on the structure and dynamics of water-1-alkyl-3-methylimidazolium ionic liquid mixtures. The dependence on water concentration of the radial distribution functions, coordination numbers, and hydrogen bonding degree between the different species has been systematically analyzed for different lengths of the cation alkyl chain (alkyl = ethyl, butyl, hexyl, and octyl) and several counterions. These include two halogens of different sizes and positions in Hoffmeister series, Cl(-) and Br(-), and the highly hydrophobic inorganic anion PF(6)(-) throughout its whole solubility regime. The formation of water clusters in the mixture has been verified, and the influences of both anion hydrophobicity and cation chain length on the structure and size of these clusters have been analyzed. The water cluster size is shown to be relatively independent of the cation chain length, but strongly dependent on the hydrophobicity of the anion, which also determines critically the network formation of water and therefore the miscibility of the ionic liquid. The greater influence of the anion relative to the cation one is seen to be reflected in all the analyzed physical properties. Finally, single-particle dynamics in IL-water mixtures is considered, obtaining the self-diffusion coefficients and the velocity autocorrelation functions of water molecules in the mixture, and analyzing the effect of cation, anion, and water concentration on the duration of the ballistic regime and on the time of transition to the diffusive regime. Complex non-Markovian behavior was detected at intermediate times within an interval progressively shorter as water concentration increases.

  8. Extraction behavior of divalent metal cations in ionic liquid chelate extraction systems using 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imides and thenoyltrifluoroacetone.

    PubMed

    Kidani, Keiji; Hirayama, Naoki; Imura, Hisanori

    2008-10-01

    The extraction behavior of several divalent metal cations (M(2+)) in ionic liquid chelate extraction systems was investigated using several 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ionic liquids ([Rmim][Tf(2)N]) as extraction solvent and thenoyltrifluoroacetone (Htta) as extractant. The behavior was compared with that using less hydrophobic 1-alkyl-3-methylimidazolium hexafluorophosphates ([Rmim][PF(6)]). The extracted species in the [Rmim][Tf(2)N] systems were neutral M(tta)(2) for M = Cu and anionic M(tta)(3)(-) for M = Mn, Co, Ni, Zn and Cd. Conversion of ionic liquid anion from PF(6)(-) to more hydrophobic Tf(2)N(-) resulted in changing the species extracted for Ni(2+) from hydrated neutral complex to hydrophobic anionic one. Furthermore, the extractability for these metals was governed by the hydrophobicity of ionic liquid ions. Thus, in the ionic liquid chelate extraction system, selection of a suitable ionic liquid as extraction phase seems to be an important factor for enhancement of extraction selectivity.

  9. Influence of the organized structure of 1-alkyl-3-methylimidazolium-based ionic liquids on the rotational diffusion of an ionic solute.

    PubMed

    Gangamallaiah, V; Dutt, G B

    2013-08-29

    To understand the influence of organized structure of the ionic liquids on the rotational diffusion of a hydrogen bond donating ionic solute, reorientation times (τr) of rhodamine 110 (R110) have been measured in 1-alkyl-3-methylimidazolium ([Rmim+]) based ionic liquids with anions tetrafluoroborate ([BF4-]) and hexafluorophosphate ([PF6-]). The viscosity (η) was varied by changing the temperature (T) and also the alkyl chain length on the imidazolium cation (ethyl, butyl, hexyl, and octyl). It has been noticed that τr versus η/T plots contain two slopes corresponding to lower and higher values of η/T for ionic liquids with [BF4-] as well as [PF6-] anions. For lower values of η/T (<0.2 and <0.3 mPa s K(-1), respectively, for [Rmim+][BF4-] and [Rmim+][PF6-]), rotational diffusion of R110 follows Stokes-Einstein-Debye hydrodynamic theory with stick boundary condition due to specific interactions between the solute and the anions of the ionic liquids. In contrast, at higher η/T, the rotational diffusion of the solute is faster than the stick predictions and this trend could not be explained by the quasihydrodynamic theories of Gierer-Wirtz and Dote-Kivelson-Schwartz as well. Diminishing hydrogen bonding interactions between the solute and the anions, which transpire as a consequence of the organized structure of the ionic liquids, are responsible for the observed behavior.

  10. Effect of alkyl chain length on the rotational diffusion of nonpolar and ionic solutes in 1-alkyl-3-methylimidazolium-bis(trifluoromethylsulfonyl)imides.

    PubMed

    Gangamallaiah, V; Dutt, G B

    2013-10-10

    Rotational diffusion of a nonpolar solute 9-phenylanthracene (9-PA) and a cationic solute rhodamine 110 (R110) has been examined in a series of 1-alkyl-3-methylimidazolium (alkyl = octyl, decyl, dodecyl, tetradecyl, hexadecyl, and octadecyl) bis(trifluoromethylsulfonyl)imides to understand the influence of alkyl chain length on solute rotation. In this study, reorientation times (τr) have been measured as a function of viscosity (η) by varying the temperature (T) of the solvents. These results have been analyzed using the Stokes-Einstein-Debye (SED) hydrodynamic theory along with the ones obtained for the same solutes in 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides (Gangamallaiah and Dutt, J. Phys. Chem. B 2012, 116, 12819-12825). It has been noticed that the data for 9-PA and R110 follows the relation τr = A(η/T)(n) with A being the ratio of hydrodynamic volume of the solute to the Boltzmann constant and n = 1 as envisaged by the SED theory. However, upon increasing the alkyl chain length from methyl to octadecyl significant deviations from the SED theory have been observed especially from the octyl derivative onward. From methyl to octadecyl derivatives, the value of A decreases by a factor of 3 for both the solutes and n by a factor of 1.4 and 1.6 for 9-PA and R110, respectively. These observations have been rationalized by taking into consideration the organized structure of the ionic liquids, whose influence appears to be pronounced when the number of carbon atoms in the alkyl chain attached to the imidazolium cation exceeds eight.

  11. Acoustics as a tool for better characterization of ionic liquids: a comparative study of 1-alkyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide room-temperature ionic liquids.

    PubMed

    Zorębski, Edward; Geppert-Rybczyńska, Monika; Zorębski, Michał

    2013-04-11

    Acoustic properties of three (1-ethyl-, 1-butyl-, and 1-octyl-) 1-alkyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl] imide room-temperature ionic liquids are reported and discussed. The speeds of sound in RTILs were measured as a function of temperature in the range 288-323 K by means of a sing around method. The densities and isobaric heat capacities were determined from 288.15 to 363.15 K and from 293.15 to 323.15 K, respectively. The related properties, like isentropic and isothermal compressibilities, isobaric coefficients of thermal expansion, molar isochoric heat capacities, and internal pressures, were calculated. It was found that for some ionic liquids, temperature dependence of isobaric coefficients of thermal expansion is small and negative. All investigations were completed by the ultrasound absorption coefficient measurements in 1-ethyl- and 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl] imide as a function of frequency from 10 to 300 MHz at temperatures 293.15-298.15 K. The ultrasound absorption spectra indicate relaxation frequencies in the megahertz range.

  12. Enhanced CO2 capture in binary mixtures of 1-alkyl-3-methylimidazolium tricyanomethanide ionic liquids with water.

    PubMed

    Romanos, George E; Zubeir, Lawien F; Likodimos, Vlassis; Falaras, Polycarpos; Kroon, Maaike C; Iliev, Boyan; Adamova, Gabriela; Schubert, Thomas J S

    2013-10-10

    Absorption of carbon dioxide and water in 1-butyl-3-methylimidazoliun tricyanomethanide ([C4C1im][TCM]) and 1-octyl-3-methylimidazolium tricyanomethanide ([C8C1im][TCM]) ionic liquids (ILs) was systematically investigated for the first time as a function of the H2O content by means of a gravimetric system together with in-situ Raman spectroscopy, excess molar volume (V(E)), and viscosity deviation measurements. Although CO2 absorption was marginally affected by water at low H2O molar fractions for both ILs, an increase of the H2O content resulted in a marked enhancement of both the CO2 solubility (ca. 4-fold) and diffusivity (ca. 10-fold) in the binary [C(n)C1im][TCM]/H2O systems, in contrast to the weak and/or detrimental influence of water in most physically and chemically CO2-absorbing ILs. In-situ Raman spectroscopy on the IL/CO2 systems verified that CO2 is physically absorbed in the dry ILs with no significant effect on their structural organization. A pronounced variation of distinct tricyanomethanide Raman modes was disclosed in the [C(n)C1im][TCM]/H2O mixtures, attesting to the gradual disruption of the anion-cation coupling by the hydrogen-bonded water molecules to the [TCM](-) anions, in accordance with the positive excess molar volumes and negative viscosity deviations for the binary systems. Most importantly, CO2 absorption in the ILs/H2O mixtures at high water concentrations revealed that the [TCM](-) Raman modes tend to restore their original state for the heavily hydrated ILs, in qualitative agreement with the intriguing nonmonotonous transients of CO2 absorption kinetics unveiled by the gravimetric measurements for the hybrid solvents. A molecular exchange mechanism between CO2 in the gas phase and H2O in the liquid phase was thereby proposed to explain the enhanced CO2 absorption in the hybrid [C(n)C1im][TCM]//H2O solvents based on the subtle competition between the TCM-H2O and TCM-CO2 interactions, which renders these ILs very promising for CO2

  13. Co-electroosmotic capillary electrophoresis of basic proteins with 1-alkyl-3-methylimidazolium tetrafluoroborate ionic liquids as non-covalent coating agents of the fused-silica capillary and additives of the electrolyte solution.

    PubMed

    Corradini, Danilo; Nicoletti, Isabella; Bonn, Günther K

    2009-06-01

    The paper reports the results of a study carried out to evaluate the use of three 1-alkyl-3-methylimidazolium-based ionic liquids as non-covalent coating agents for bare fused-silica capillaries and additives of the electrolyte solutions (BGE) for CE of basic proteins in the co-EOF separation mode. The three ionic liquids are differentiated from each other by the length of the alkyl group on the imidazolium cation, consisting of either an ethyl, butyl or octyl substituent, whereas tetrafluoroborate is the common anionic component of the ionic liquids. Coating the capillary with the ionic liquid resulted in improved peak shape and protein separation, while the EOF was maintained cathodic. This indicates that each ionic liquid is effective at masking the protein interaction sites on the inner surface of the capillary, also when its adsorption onto the capillary wall has not completely neutralized all the negative charges arising from the ionization of the silanol groups and the ionic liquid is not incorporated into the BGE employed for separation. Using the coated capillaries with BGE containing the ionic liquid employed for the coating, at concentration low enough to maintaining the EOF cathodic, both peak shape and protein separation varied to different extents, based on the particular ionic liquid used and its concentration. Fast and efficient separation of the model basic protein mixture in co-electroosmotic CE is obtained with the 1-butyl-3-methylimidazolium tetrafluoroborate coated capillary and 100 mM acetate buffer (pH 4.0) containing 4.4 mM 1-butyl-3-methylimidazolium tetrafluoroborate as the BGE.

  14. Surface tension of binary mixtures of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids: experimental measurements and soft-SAFT modeling.

    PubMed

    Oliveira, M B; Domínguez-Pérez, M; Freire, M G; Llovell, F; Cabeza, O; Lopes-da-Silva, J A; Vega, L F; Coutinho, J A P

    2012-10-11

    Ionic liquids have attracted a large amount of interest in the past few years. One approach to better understand their peculiar nature and characteristics is through the analysis of their surface properties. Some research has provided novel information on the organization of pure ionic liquids at the vapor-liquid interface; yet, a systematic study on the surface properties of mixtures of ionic liquids and their organization at the surface has not previously been carried out in the literature. This work reports, for the first time, a comprehensive analysis of the surface organization of mixtures of ionic liquids constituted by 1-alkyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide ionic liquids, [C(n)mim][NTf(2)]. The surface tension of mixtures composed of [C(4)mim][NTf(2)] + [C(n)mim][NTf(2)] (n = 1, 2, 5, 6, 8, and 10) was experimentally determined, at 298.2 K and atmospheric pressure, in the whole composition range. From the experimental data, the surface tension deviations and the relative Gibbs adsorption isotherms were estimated showing how the surface composition of an ionic liquid mixture differs from that of the liquid bulk and that the surface is enriched by the ionic liquid with the longest alkyl chain length. Finally, the soft-SAFT equation of state coupled with the density gradient theory (DGT) was used, for the first time, to successfully reproduce the surface tension experimental data of binary mixtures of ionic liquids using a molecular-based approach. In addition, the DGT was used to compute the density profiles of the two components across the interface, confirming the experimental results for the components distribution at the bulk and at the vapor-liquid interface.

  15. Solubility of n-butane and 2-methylpropane (isobutane) in 1-alkyl-3-methylimidazolium-based ionic liquids with linear and branched alkyl side-chains.

    PubMed

    Pison, Laure; Shimizu, Karina; Tamas, George; Lopes, José Nuno Canongia; Quitevis, Edward L; Gomes, Margarida F Costa

    2015-11-11

    The solubility of n-butane and 2-methylpropane (isobutane) in three ionic liquids - 1-(2-methylpropyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [(2mC3)C1im][Ntf2], 1-(3-methylbutyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [(3mC4)C1im][Ntf2] and 1-methyl-3-pentylimidazolium bis(trifluoromethylsulfonyl)imide [C5C1im][Ntf2] - has been measured at atmospheric pressure from 303 to 343 K. Isobutane is less soluble than n-butane in all the ionic liquids. Henry's constant values range from 13.8 × 10(5) Pa for n-butane in [C5C1im][Ntf2] at 303 K to 64.5 × 10(5) Pa for isobutane in [(2mC3)C1im][Ntf2] at 343 K. The difference in solubility between the two gases can be explained by a more negative enthalpy of solvation for n-butane. A structural analysis of the pure solvents and of the solutions of the gases, probed by molecular dynamics simulations, could explain the differences found in the systems: (i) the nonpolar domains of the ionic liquids accommodate better the long and more flexible n-butane solute; (ii) the small differences in solubility of each gas in the ionic liquids with the same number of carbon atoms in the alkyl side-chains are explained by the absence of large structural differences in the pure solvents. In all cases, the structural analysis of the four ionic liquids confirms that the studied gases can act as probes of the molecular structure of the ionic liquids, the simulations being always compatible with the experimental solubility data.

  16. Effect of fluorination and size of the alkyl side-chain on the solubility of carbon dioxide in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids.

    PubMed

    Almantariotis, D; Gefflaut, T; Pádua, A A H; Coxam, J-Y; Costa Gomes, M F

    2010-03-18

    It is proven in this work that it is possible to significantly increase the carbon dioxide uptake by an ionic liquid relying on physical interactions only. The solubility and thermodynamics of solvation of carbon dioxide in the ionic liquids 1-octyl-3-methylimidazolium bis[trifluoromethylsulfonyl]amide [C(8)mim][Ntf(2)], 1-decyl-3-methylimidazolium bis[trifluoromethylsulfonyl]amide [C(10)mim][Ntf(2)], and 1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-3-methylimidazolium bis[trifluoromethylsulfonyl]amide [C(8)H(4)F(13)mim][Ntf(2)] were determined experimentally between 298 and 343 K at pressures close to atmospheric. The solubility of carbon dioxide is significantly higher in the fluorine-substituted ionic liquid with Henry's law constants at 303 K of 33.3 and 30.7 bar for [C(8)mim][Ntf(2)] and [C(10)mim][Ntf(2)], respectively, and of 28.0 bar for [C(8)H(4)F(13)mim][Ntf(2)]. Molecular simulation was used for interpreting the molecular mechanisms of solvation of carbon dioxide in the studied ionic liquids and coherent molecular mechanisms of solvation are proposed in light of the solute-solvent radial distribution functions. It is shown that the increase of the size of the hydrogenated or fluorinated alkyl chain in the imidazolium cation does not lead to a steady augmentation of the gaseous uptake by the liquid probably due to an increase of the nonpolar domains of the ionic liquid, carbon dioxide being solvated preferentially in the charged regions of the solvent.

  17. Absorption of carbon dioxide, nitrous oxide, ethane and nitrogen by 1-alkyl-3-methylimidazolium (C(n)mim, n = 2,4,6) tris(pentafluoroethyl)trifluorophosphate ionic liquids (eFAP).

    PubMed

    Almantariotis, D; Stevanovic, S; Fandiño, O; Pensado, A S; Padua, A A H; Coxam, J-Y; Costa Gomes, M F

    2012-07-05

    We measured the densities of 1-alkyl-3-methylimidazolium (C(n)mim, n = 2,4,6) tris(pentafluoroethyl)trifluorophosphate ionic liquids (eFAP) as a function of temperature and pressure and their viscosities as a function of temperature. These ionic liquids are less viscous than those based in the same cations but with other anions such as bis(trifluoromethylsulfonyl)imide. The ionic liquids studied are only partially miscible with water, their solubility increasing with the size of the alkyl side-chain of the cation and with temperature (from x(H(2)O) = 0.20 ± 0.03 for [C(4)mim][eFAP] at 303.10 K to x(H(2)O) = 0.49 ± 0.07 for [C(6)mim][eFAP] at 315.10 K). The solubility of carbon dioxide, nitrous oxide, ethane, and nitrogen in the three ionic liquids was measured as a function of temperature and at pressures close to atmospheric. Carbon dioxide and nitrous oxide are the more soluble gases with mole fraction solubilities of the order of 3 × 10(-2) at 303 K. The solubility of these gases does not increase linearly with the size of the alkyl-side chain of the cation. The solubilities of ethane and nitrogen are much lower than those of carbon dioxide and nitrous oxide (mole fractions 60% and 90% lower, respectively). The higher solubility of CO(2) and N(2)O can be explained by more favorable interactions between the solutes and the polar region of the ionic liquids as shown by the enthalpies of solvation determined experimentally and by the calculation of the site-site solute-solvent radial distribution functions using molecular simulation.

  18. Experimental evidences for molecular origin of low-Q peak in neutron/x-ray scattering of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide ionic liquids.

    PubMed

    Fujii, Kenta; Kanzaki, Ryo; Takamuku, Toshiyuki; Kameda, Yasuo; Kohara, Shinji; Kanakubo, Mitsuhiro; Shibayama, Mitsuhiro; Ishiguro, Shin-ichi; Umebayashi, Yasuhiro

    2011-12-28

    Short- and long-range liquid structures of [C(n)mIm(+)][TFSA(-)] with n = 2, 4, 6, 8, 10, and 12 have been studied by high-energy x-ray diffraction (HEXRD) and small-angle neutron scattering (SANS) experiments with the aid of MD simulations. Observed x-ray structure factor, S(Q), for the ionic liquids with the alkyl-chain length n > 6 exhibited a characteristic peak in the low-Q range of 0.2-0.4 Å(-1), indicating the heterogeneity of their ionic liquids. SANS profiles I(H)(Q) and I(D)(Q) for the normal and the alkyl group deuterated ionic liquids, respectively, showed significant peaks for n = 10 and 12 without no form factor component for large spherical or spheroidal aggregates like micelles in solution. The peaks for n = 10 and 12 evidently disappeared in the difference SANS profiles ΔI(Q) [=I(D)(Q) - I(H)(Q)], although that for n = 12 slightly remained. This suggests that the long-range correlations originated from the alkyl groups hardly contribute to the low-Q peak intensity in SANS. To reveal molecular origin of the low-Q peak, we introduce here a new function; x-ray structure factor intensity at a given Q as a function of r, S(Q) (peak)(r). The S(Q) (peak)(r) function suggests that the observed low-Q peak intensity depending on n is originated from liquid structures at two r-region of 5-8 and 8-15 Å for all ionic liquids examined except for n = 12. Atomistic MD simulations are consistent with the HEXRD and SANS experiments, and then we discussed the relationship between both variations of low-Q peak and real-space structure with lengthening the alkyl group of the C(n)mIm.

  19. Critical behaviour and vapour-liquid coexistence of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids via Monte Carlo simulations.

    PubMed

    Rai, Neeraj; Maginn, Edward J

    2012-01-01

    Atomistic Monte Carlo simulations are used to compute vapour-liquid coexistence properties of a homologous series of [C(n)mim][NTf2] ionic liquids, with n = 1, 2, 4, 6. Estimates of the critical temperatures range from 1190 K to 1257 K, with longer cation alkyl chains serving to lower the critical temperature. Other quantities such as critical density, critical pressure, normal boiling point, and accentric factor are determined from the simulations. Vapour pressure curves and the temperature dependence of the enthalpy of vapourisation are computed and found to have a weak dependence on the length of the cation alkyl chain. The ions in the vapour phase are predominately in single ion pairs, although a significant number of ions are found in neutral clusters of larger sizes as temperature is increased. It is found that previous estimates of the critical point obtained from extrapolating experimental surface tension data agree reasonably well with the predictions obtained here, but group contribution methods and primitive models of ionic liquids do not capture many of the trends observed in the present study

  20. Interaction between the ionic liquids 1-alkyl-3-methylimidazolium tetrafluoroborate and Pluronic® P103 in aqueous solution: A DLS, SANS and NMR study

    NASA Astrophysics Data System (ADS)

    Parmar, A.; Aswal, V. K.; Bahadur, P.

    2012-11-01

    The effect of three ionic liquids (ILs) 1-alkyl 3-methyl imidazlolium tetraflouroborates (Cnmim BF4n = 4, 6, 8) on micellar solutions of an ethylene oxide-propylene oxide block copolymer (PEO-PPO-PEO), Pluronic® P103 was examined from scattering and NMR techniques. The ILs alter the cloud point and micelle size dependant on their alkyl chain length and the results are discussed in terms of their behavior as cosolvent/cosurfactant. Cloud point data support the hydrogen bonding between the imidazolium cation and P103 while dynamic light scattering (DLS) and small angle neutron scattering (SANS) reveal that presence of ionic liquid is not conducive to the micelle formation of P103. The selective nuclear Overhauser effect (NOESY) indicates that the PPO block of the P103 interacts with the alkyl group of the Cnmim+ cation by hydrophobic interaction. Through this kind of interactions, Cnmim BF4 and P103 can form mixed micelles. This result indicates that the presence of ILs hinders the micelle formation of P103 in solution and promotes P103 to orient at air/water interface.

  1. Low-temperature heat capacities of 1-alkyl-3-methylimidazolium bis(oxalato)borate ionic liquids and the influence of anion structural characteristics on thermodynamic properties.

    PubMed

    Yang, Miao; Zhao, Jun-Ning; Liu, Qing-Shan; Sun, Li-Xian; Yan, Pei-Fang; Tan, Zhi-Cheng; Welz-Biermann, Urs

    2011-01-07

    Two chelated orthoborate ionic liquids (ILs), 1-butyl-3-methylimidazolium bis(oxalato)borate ([Bmim][BOB]) and 1-hexyl-3-methylimidazolium bis(oxalato)borate ([Hmim][BOB]), were prepared and characterized. Their thermodynamic properties were studied using adiabatic calorimetry and differential scanning calorimetry (DSC). The thermodynamic properties of the two ILs were evaluated and compared with each other, and then with those of other [Bmim] type ILs. The results clearly indicate that for a given cation (or anion) and at a certain temperature, the more atoms in the anion (or cation), the higher the heat capacity; the higher glass-transition temperatures of [BOB] type ILs than others are mainly caused by the higher symmetry of the orthoborate anion structure. It is suggested that a high content of strong electronegative atoms and C(n) or C(nv) (n = 1,2,3,…,∞) point group symmetry in the anion are favorable for the design and synthesis of room temperature ILs with a wide liquid range.

  2. X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts

    SciTech Connect

    D'Angelo, Paola; Zitolo, Andrea; Migliorati, Valentina; Bodo, Enrico; Caminiti, Ruggero; Aquilanti, Giuliana; Hazemann, Jean Louis; Testemale, Denis; Mancini, Giordano

    2011-08-21

    X-ray absorption spectroscopy (XAS) has been used to unveil the bromide ion local coordination structure in 1-alkyl-3-methylimidazolium bromide [C{sub n}mim]Br ionic liquids (ILs) with different alkyl chains. The XAS spectrum of 1-ethyl-3-methylimidazolium bromide has been found to be different from those of the other members of the series, from the butyl to the decyl derivatives, that have all identical XAS spectra. This result indicates that starting from 1-buthyl-3-methylimidazolium bromide the local molecular arrangement around the bromide anion is the same independently from the length of the alkyl chain, and that the imidazolium head groups in the liquid ILs with long alkyl chains assume locally the same orientation as in the [C{sub 4}mim]Br crystal. With this study we show that the XAS technique is an effective direct tool for unveiling the local structural arrangements around selected atoms in ILs.

  3. IONIC LIQUID-CATALYZED ALKYLATION OF ISOBUTANE WITH 2-BUTENE

    EPA Science Inventory

    A detailed study of the alkylation of isobutane with 2-butene in ionic liquid media has been conducted using 1-alkyl-3-methylimidazolium halides?aluminum chloride encompassing various alkyl groups (butyl-, hexyl-, and octyl-) and halides (Cl, Br, and I) on its cations and anions,...

  4. Liquid clathrate formation in ionic liquid-aromatic mixtures.

    PubMed

    Holbrey, John D; Reichert, W Matthew; Nieuwenhuyzen, Mark; Sheppard, Oonagh; Hardacre, Christopher; Rogers, Robin D

    2003-02-21

    1-Alkyl-3-methylimidazolium containing ionic liquids with hexafluorophosphate, bis(trifyl)imide, tetrafluoroborate, and chloride anions form liquid clathrates when mixed with aromatic hydrocarbons; in the system 1,3-dimethylimidazolium hexafluorophosphate-benzene, the aromatic solute could be trapped in the solid state forming a crystalline 2:1 inclusion compound.

  5. Degradation pathway and kinetics of 1-alkyl-3-methylimidazolium bromides oxidation in an ultrasonic nanoscale zero-valent iron/hydrogen peroxide system.

    PubMed

    Zhou, Haimei; Shen, Yuanyuan; Lv, Ping; Wang, Jianji; Li, Pu

    2015-03-02

    Fenton and Fenton-like oxidation has been already demonstrated to be efficient for the degradation of imidazolium ionic liquids (ILs), but little is known for their degradation pathway and kinetics in such systems. In this work, degradation pathway and kinetics of 1-alkyl-3-methylimidazolium bromides ([Cnmim]Br, n=2, 4, 6, 8, and 10) were investigated in an ultrasound nanoscale zero-valent iron/hydrogen peroxide (US-nZVI/H2O2) system. For this purpose, 1-butyl-3-methylimidazolium bromide ([C4mim]Br) was used as a representative ionic liquid to optimize pH value, nZVI dose, and H2O2 concentration for the degradation reaction. Then, the degradation kinetics of [Cnmim]Br was investigated under optimal conditions, and their degradation intermediates were monitored by gas chromatography-mass spectrometry (GC-MS). It was shown that the degradation of [Cnmim]Br in such a heterogeneous Fenton-like system could be described by a second order kinetic model, and a number of intermediate products were detected. Based on these intermediate products, detailed pathways were proposed for the degradation of [Cnmim]Br in the ultrasound-assisted nZVI/H2O2 system. These findings may be useful for the better understanding of degradation mechanism of the imidazolium ILs in aqueous solutions.

  6. Observation of surface structure of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide using high-resolution Rutherford backscattering spectroscopy

    NASA Astrophysics Data System (ADS)

    Nakajima, Kaoru; Ohno, Atsushi; Hashimoto, Hiroki; Suzuki, Motofumi; Kimura, Kenji

    2010-07-01

    The surface structures of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([CnMIM][TFSI], n=2,4,6) are studied by high-resolution Rutherford backscattering spectroscopy. The average composition of the surface molecular layer is very close to the stoichiometric composition, showing that neither ion is enriched in the surface layer. A detailed analysis indicates that both cations and anions have preferential molecular orientations at the surface. The alkyl chains of the [CnMIM] cations protrude to the vacuum and the CF3 groups of the [TFSI] anions are also pointing toward the vacuum. While the orientation of the [TFSI] anion becomes weaker with increasing alkyl-chain length, the protrusion of the alkyl chain occurs irrespective of the chain length. It was also found that the N(SO2)2 moiety is located nearly at the same depth as the imidazolium ring, suggesting that one of oxygen atoms in [TFSI] is bonded to the hydrogen of the C2 carbon atom of the imidazolium ring.

  7. Observation of surface structure of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide using high-resolution Rutherford backscattering spectroscopy.

    PubMed

    Nakajima, Kaoru; Ohno, Atsushi; Hashimoto, Hiroki; Suzuki, Motofumi; Kimura, Kenji

    2010-07-28

    The surface structures of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C(n)MIM][TFSI], n=2,4,6) are studied by high-resolution Rutherford backscattering spectroscopy. The average composition of the surface molecular layer is very close to the stoichiometric composition, showing that neither ion is enriched in the surface layer. A detailed analysis indicates that both cations and anions have preferential molecular orientations at the surface. The alkyl chains of the [C(n)MIM] cations protrude to the vacuum and the CF(3) groups of the [TFSI] anions are also pointing toward the vacuum. While the orientation of the [TFSI] anion becomes weaker with increasing alkyl-chain length, the protrusion of the alkyl chain occurs irrespective of the chain length. It was also found that the N(SO(2))(2) moiety is located nearly at the same depth as the imidazolium ring, suggesting that one of oxygen atoms in [TFSI] is bonded to the hydrogen of the C(2) carbon atom of the imidazolium ring.

  8. IR and X-ray study of polymorphism in 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imides.

    PubMed

    Paulechka, Y U; Kabo, G J; Blokhin, A V; Shaplov, A S; Lozinskaya, E I; Golovanov, D G; Lyssenko, K A; Korlyukov, A A; Vygodskii, Ya S

    2009-07-16

    The crystal structure of [C(n)mim]NTf(2) (n = 2, 4, 6) was studied for the first time simultaneously by X-ray diffraction method and IR spectroscopy. The temperature-dependent IR spectrum for crystalline [C(4)mim]NTf(2) was demonstrated to correlate with both the X-ray data and the calorimetric results obtained earlier. Therefore, it was found that IR spectroscopy is able to establish the correspondence between the X-ray and the calorimetric data in this case. The joint use of X-ray diffraction, IR spectroscopy, and quantum-chemical calculations allowed us to determine the structure of all [C(2)mim]NTf(2) crystalline modifications obtained earlier by adiabatic calorimetry measurements. Thus, a new approach for the future identification of ionic liquid crystal structure by use of temperature-dependent infrared spectroscopy is suggested and justified.

  9. Liquid structure of 1-alkyl-3-methylimidazolium-hexafluorophosphates by wide angle x-ray and neutron scattering and molecular dynamics

    NASA Astrophysics Data System (ADS)

    Macchiagodena, Marina; Gontrani, Lorenzo; Ramondo, Fabio; Triolo, Alessandro; Caminiti, Ruggero

    2011-03-01

    We report for the first time joined energy dispersed x-ray and neutron diffraction experiments on a series of (both protiated and selectively deuteriated) 1-alkyl-3-methylimidazolium hexafluorophosphate salts (alkyl = butyl, hexyl, octyl) at ambient conditions. The x-ray experimental data are used to optimize the interaction potential used for running molecular dynamics simulations on these systems. Such a potential leads to a good description of neutron scattering data from the samples without additional refinement, thus further validating the potential definition. The molecular dynamics simulations were used to access microscopic information on the morphology of the proposed systems, thus probing the role played by alkyl chain length on the structure. The comparison of x-ray weighted and neutron-weighted computed diffraction patterns allows the rationalization of several diffraction features. Further insight into cation-anion coordination and alkyl chain conformational equilibrium is provided on the basis of the MD-derived snapshots, confirming and extending previously obtained results on these issues.

  10. A structural and electrochemical investigation of 1-alkyl-3-methylimidazolium salts of the nitratodioxouranate(VI) anions [[UO2(NO3)2]2(mu 4-C2O4)]2-, [UO2(NO3)3]-, and [UO2(NO3)4]2-.

    PubMed

    Bradley, Antonia E; Hardacre, Christopher; Nieuwenhuyzen, Mark; Pitner, William R; Sanders, David; Seddon, Kenneth R; Thied, Robert C

    2004-04-19

    The properties of the 1-butyl-3-methylimidazolium salt of the dinuclear mu(4)-(O,O,O',O'-ethane-1,2-dioato)bis[bis(nitrato-O,O)dioxouranate(VI)] anion have been investigated using electrochemistry, single-crystal X-ray crystallography, and extended X-ray absorbance fine structure spectroscopy: the anion structures from these last two techniques are in excellent agreement with each other. Electrochemical reduction of the complex leads to the a two-electron metal-centered reduction of U(VI) to U(IV), and the production of UO(2), or a complex containing UO(2). Under normal conditions, this leads to the coating of the electrode with a passivating film. The presence of volatile organic compounds in the ionic liquids 1-alkyl-3-methylimidazolium nitrate (where the 1-alkyl chain was methyl, ethyl, propyl, butyl, pentyl, hexyl, dodecyl, hexadecyl, or octadecyl) during the oxidative dissolution of uranium(IV) oxide led to the formation of a yellow precipitate. To understand the effect of the cation upon the composition and structure of the precipitates, 1-alkyl-3-methylimidazolium salts of a number of nitratodioxouranate(VI) complexes were synthesized and then analyzed using X-ray crystallography. It was demonstrated that the length of the 1-alkyl chain played an important role, not only in the composition of the complex salt, but also in the synthesis of dinuclear anions containing the bridging mu(4)-(O,O,O',O'-ethane-1,2-dioato), or oxalato, ligand, by protecting it from further oxidation.

  11. Effects of imidazolium chloride ionic liquids and their toxicity to Scenedesmus obliquus.

    PubMed

    Liu, Huijun; Zhang, Xiaoqiang; Chen, Caidong; Du, Shaoting; Dong, Ying

    2015-12-01

    The low volatility of ionic liquids effectively eliminates a major pathway for environmental release and contamination; however, the good solubility, low degree of environmental degradation and biodegradation of ILs may pose a potential threat to the aquatic environment. The growth inhibition of the green alga Scenedesmus obliquus by five 1-alkyl-3-methylimidazolium chloride ionic liquids (ILs) ([Cnmim]Cl, n=6, 8, 10, 12, 16) was investigated, and the effect on cellular membrane permeability and the ultrastructural morphology by ILs ([Cnmim]Cl, n=8, 12, 16) were studied. The results showed that the growth inhibition rate increased with increasing IL concentration and increasing alkyl chain lengths. The relative toxicity was determined to be [C6mim]Cl<[C8mim]Cl<[C10mim]Cl<[C12mim]Cl<[C16mim]Cl. The algae were most sensitive to imidazolium chloride ILs at 48 h according to the results from the growth inhibition rate and cellular membrane permeability tests. The ultrastructural morphology showed that the ILs had negative effects on the cellular morphology and structure of the algae. The cell wall of treated algae became wavy and separated from the cell membrane. Chloroplast grana lamellae became obscure and loose, osmiophilic material was deposited in the chloroplast, and mitochondria and their cristae swelled. Additionally, electron-dense deposits were observed in the vacuoles.

  12. The microwave assisted synthesis of 1-alkyl-3-methylimidazolium bromide as potential corrosion inhibitor toward carbon steel in 1 M HCl solution saturated with carbon dioxide

    NASA Astrophysics Data System (ADS)

    Pasasa, Norman Vincent A.; Bundjali, Bunbun; Wahyuningrum, Deana

    2015-09-01

    Injection of corrosion inhibitor into the fluid current of oil and gas pipelines is an effective way to mitigate corrosion rate on the inner-surface parts of pipelines, especially carbon steel pipelines. In this research, two alkylimidazolium ionic liquids, 1-decyl-3-methylimidazolium bromide (IL1) and 1-dodecyl-3-methylimidazolium bromide (IL2) have been synthesized and studied as a potential corrosion inhibitor towards carbon steel in 1 M HCl solution saturated with carbon dioxide. IL1 and IL2 were synthesized using microwave assisted organic synthesis (MAOS) method. Mass Spectrometry analysis of IL1 and IL2 showed molecular mass [M-H+] peak at 223.2166 and 251.2484, respectively. The FTIR,1H-NMR and 13C-NMR spectra confirmed that IL1 and IL2 were successfully synthesized. Corrosion inhibition activity of IL1 and IL2 were determined using weight loss method. The results showed that IL1 and IL2 have the potential as good corrosion inhibitors with corrosion inhibition efficiency of IL1 and IL2 are 96.00% at 100 ppm (343 K) and 95.60% at 50 ppm (343 K), respectively. The increase in the concentration of IL1 and IL2 tends to improve their corrosion inhibition activities. Analysis of the data obtained from the weight loss method shows that the adsorption of IL1 and IL2 on carbon steel is classified into chemisorption which obeys Langmuir's adsorption isotherm.

  13. The microwave assisted synthesis of 1-alkyl-3-methylimidazolium bromide as potential corrosion inhibitor toward carbon steel in 1 M HCl solution saturated with carbon dioxide

    SciTech Connect

    Pasasa, Norman Vincent A. Bundjali, Bunbun; Wahyuningrum, Deana

    2015-09-30

    Injection of corrosion inhibitor into the fluid current of oil and gas pipelines is an effective way to mitigate corrosion rate on the inner-surface parts of pipelines, especially carbon steel pipelines. In this research, two alkylimidazolium ionic liquids, 1-decyl-3-methylimidazolium bromide (IL1) and 1-dodecyl-3-methylimidazolium bromide (IL2) have been synthesized and studied as a potential corrosion inhibitor towards carbon steel in 1 M HCl solution saturated with carbon dioxide. IL1 and IL2 were synthesized using microwave assisted organic synthesis (MAOS) method. Mass Spectrometry analysis of IL1 and IL2 showed molecular mass [M-H+] peak at 223.2166 and 251.2484, respectively. The FTIR,{sup 1}H-NMR and {sup 13}C-NMR spectra confirmed that IL1 and IL2 were successfully synthesized. Corrosion inhibition activity of IL1 and IL2 were determined using weight loss method. The results showed that IL1 and IL2 have the potential as good corrosion inhibitors with corrosion inhibition efficiency of IL1 and IL2 are 96.00% at 100 ppm (343 K) and 95.60% at 50 ppm (343 K), respectively. The increase in the concentration of IL1 and IL2 tends to improve their corrosion inhibition activities. Analysis of the data obtained from the weight loss method shows that the adsorption of IL1 and IL2 on carbon steel is classified into chemisorption which obeys Langmuir’s adsorption isotherm.

  14. Hg⁰ removal from flue gas by ionic liquid/H₂O₂.

    PubMed

    Cheng, Guangwen; Bai, Bofeng; Zhang, Qiang; Cai, Ming

    2014-09-15

    1-Alkyl-3-methylimidazolium chloride ionic liquids ([Cnmim] Cl, n=4, 6, 8) were prepared. The ionic liquid was then mixed with hydrogen peroxide (H2O2) to form an absorbent. The Hg(0) removal performance of the absorbent was investigated in a gas/liquid scrubber using simulated flue gas. It was found that the ionic liquid/H2O2 mixture was an excellent absorbent and could be used to remove Hg(0) from flue gas. When the mass ratio of H2O2 to ionic liquid was 0.5, the absorbent showed high Hg(0) removal efficiency (up to 98%). The Hg(0) removal efficiency usually increased with the absorption temperature, while decreased with the increase of alkyl chain length in ionic liquid molecule. The Hg(0) removal mechanism involved with Hg(0) oxidation by H2O2 and Hg(2+) transfer from aqueous phase to ionic liquid phase.

  15. Thermodynamical and structural properties of binary mixtures of imidazolium chloride ionic liquids and alcohols from molecular simulation

    NASA Astrophysics Data System (ADS)

    Raabe, Gabriele; Köhler, Jürgen

    2008-10-01

    We have performed molecular dynamics simulations to determine the densities, excess energies of mixing, and structural properties of binary mixtures of the 1-alkyl-3-methylimidazolium chloride ionic liquids (ILs) [amim][Cl] and ethanol and 1-propanol in the temperature range from 298.15to363.15K. As in our previous work [J. Chem. Phys. 128, 154509 (2008)], our simulation studies are based on a united atom model from Liu et al. [Phys. Chem. Chem. Phys. 8, 1096 (2006)] for the 1-ethyl- and 1-butyl-3-methylimidazolium cations [emim+] and [bmim+], which we have extended to the 1-hexyl-3-methylimidazolium [hmim+] cation and combined with parameters of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] for the chloride anion [Cl-] and the force field by Khare et al. for the alcohols [J. Phys. Chem. B 108, 10071 (2004)]. With this, we provide both prediction for the densities of the mixtures that have mostly not been investigated experimentally yet and a molecular picture of the interactions between the alcohol molecules and the ions. The negative excess energies of all mixtures indicate an energetically favorable mixing of [amim][Cl] ILs and alcohols. To gain insight into the nonideality of the mixtures on the molecular level, we analyzed their local structures by radial and spatial distribution functions. These analyses show that the local ordering in these mixtures is determined by strong hydrogen-bond interactions between the chloride anion and the hydroxyls of the alcohols, enhanced interactions between the anion and the charged domain of the cation, and an increasing aggregation of the nonpolar alkyl tails of the alcohols and the cations with increasing cation size, which results in a segregation of polar and nonpolar domains.

  16. SOLVENT-FREE SONOCHEMICAL PREPARATION OF IONIC LIQUIDS

    EPA Science Inventory

    An ultrasound-assisted preparation of a series of ambient temperature ionic liquids, 1-alkyl-3-methylimidazolium (AMIM) halides, that proceeds via efficient reaction of 1-methyl imidazole with alkyl halides/terminal dihalides under solvent-free conditions, is described.

  17. Characterization of the influence of the ionic liquid 1-butyl-3-methylimidazolium chloride on the structure and thermal stability of green fluorescent protein.

    PubMed

    Heller, William T; O'Neill, Hugh M; Zhang, Qiu; Baker, Gary A

    2010-11-04

    Ionic liquids (ILs) are finding a vast array of applications as novel solvents for a wide variety of processes that include enzymatic chemistry, particularly as more biocompatible ILs are designed and discovered. While it is assumed that a native or near-native structure is required for enzymatic activity, there is some evidence that ILs alter protein structure and oligomerization states in a manner than can negatively impact function. The IL 1-butyl-3-methylimidazolium chloride, [bmim]Cl, is a well-studied, water-miscible member of the popular 1-alkyl-3-methylimidazolium IL family. To improve our understanding of the impact of water-miscible ILs on proteins, we have characterized the structure and oligomerization state of green fluorescent protein (GFP) in aqueous solutions containing 25 and 50 vol % [bmim]Cl using a combination of optical spectroscopy and small-angle neutron scattering (SANS). Measurements were also performed as a function of temperature to provide insight into the effect of the IL on the thermal stability of GFP. While GFP exists as a dimer in water, the presence of 25 vol % [bmim]Cl causes GFP to transition to a monomeric state. The SANS data indicate that GFP is a great deal less compact in 50 vol % [bmim]Cl than in neat water, indicative of unfolding from the native structure. The oligomerization state of the protein in IL-containing aqueous solution changes from a dimer to a monomer in response to the IL, but does not change as a function of temperature in the IL-containing solution. The SANS and spectroscopic results also demonstrate that the addition of [bmim]Cl to the solution decreases the thermal stability of GFP, allowing the protein to unfold at lower temperatures than in aqueous solution.

  18. Influence of oxygen functionalities on the environmental impact of imidazolium based ionic liquids.

    PubMed

    Deng, Yun; Besse-Hoggan, Pascale; Sancelme, Martine; Delort, Anne-Marie; Husson, Pascale; Gomes, Margarida F Costa

    2011-12-30

    Several physico-chemical properties relevant to determine the environmental impact of ionic liquids - aqueous solubility, octanol-water partition coefficient and diffusion coefficients in water at infinite dilution - together with toxicity and biodegradability of ionic liquids based on 1-alkyl-3-methylimidazolium cations with or without different oxygenated functional groups (hydroxyl, ester and ether) are studied in this work. The presence of oxygen groups on the imidazolium cation reduces the toxicity of ionic liquids 1-alkyl-3-methylimidazolium with bis(trifluoromethylsulfonyl)imide or octylsulfate anions and simultaneously decreases the value of their octanol-water partition coefficient. The presence of ester functions renders the ionic liquids more easily biodegradable, especially for long alkyl side-chains in the cation but leads to hydrolysis with the formation of reaction products that accumulate. The imidazolium ring is resistant to biodegradability and to abiotic degradation. The oxygen functionalised ionic liquids are more soluble in water and, diffuse more slowly in this medium.

  19. Self-assembly of imidazolium-based surfactants in magnetic room-temperature ionic liquids: binary mixtures.

    PubMed

    Klee, Andreas; Prevost, Sylvain; Gradzielski, Michael

    2014-12-15

    The phase behaviour of binary mixtures of ionic surfactants (1-alkyl-3-imidazolium chloride, C(n)mimCl with n=14, 16 and 18) and imidazolium-based ionic liquids (1-alkyl-3-methylimidazolium tetrachloroferrate, C(n)mimFeCl4, with n=2 and 4) over a broad temperature range and the complete range of compositions is described. By using many complementary methods including differential scanning calorimetry (DSC), polarised microscopy, small-angle neutron and X-ray scattering (SANS/SAXS), and surface tension, the ability of this model system to support self-assembly is described quantitatively and this behaviour is compared with common water systems. The existence of micelles swollen by the solvent can be deduced from SANS experiments and represent a possible model for aggregates, which has barely been considered for ionic-liquid systems until now, and can be ascribed to the rather low solvophobicity of the surfactants. Our investigation shows that, in general, C(n)mimCl is a rather weak amphiphile in these ionic liquids. The amphiphilic strength increases systematically with the length of the alkyl chain, as seen from the phase behaviour, the critical micelle concentration, and also the level of definition of the aggregates formed.

  20. Evidence for the interactions occurring between ionic liquids and tetraethylene glycol in binary mixtures and aqueous biphasic systems.

    PubMed

    Tomé, Luciana I N; Pereira, Jorge F B; Rogers, Robin D; Freire, Mara G; Gomes, José R B; Coutinho, João A P

    2014-05-01

    The well-recognized advantageous properties of poly(ethylene glycol)s (PEGs) and ionic liquids (ILs) in the context of an increasing demand for safe and efficient biotechnological processes has led to a growing interest in the study of their combinations for a wide range of procedures within the framework of green chemistry. Recently, one of the most promising and attractive applications has been the novel IL/polymer-based aqueous biphasic systems (ABS) for the extraction and purification of biomolecules. There still lacks, however, a comprehensive picture of the molecular phenomena that control the phase behavior of these systems. In order to further delve into the interactions that govern the mutual solubilities between ILs and PEGs and the formation of PEG/IL-based ABS, (1)H NMR spectroscopy in combination with classical molecular dynamics (MD) simulations performed for binary mixtures of tetraethylene glycol (TEG) and 1-alkyl-3-methylimidazolium-chloride-based ILs and for the corresponding ternary TEG/IL/water solutions, at T = 298.15 K, were employed in this work. The results of the simulations show that the mutual solubilities of the ILs and TEG are mainly governed by the hydrogen bonds established between the chloride anion and the -OH group of the polymer in the binary systems. Additionally, the formation of IL/PEG-based ABS is shown to be controlled by a competition between water and chloride for the interactions with the hydroxyl group of TEG.

  1. Prominent roles of impurities in ionic liquid for catalytic conversion of carbohydrates

    SciTech Connect

    Zhao, Haibo; Brown, Heather M.; Holladay, Johnathan E.; Zhang, Z. Conrad

    2012-02-07

    In the last two decades, ionic liquids have emerged as new and versatile solvents, and many of them are also catalysts for a broad range of catalytic reactions. Certain ionic liquids have been found to possess the unique capability of dissolving cellulosic biomass. The potential of such ionic liquids as solvent to enable catalytic conversion of cellulosic polymers was first explored and demonstrated by Zhao et al. This field of research has since experienced a rapid growth. Most ionic liquids have negligible vapor pressure and excellent thermal stability over a wide temperature range. For example, ionic liquids composed of 1-ethyl-3-methylimidazolium (EMIM+) cation and Cl- anion was reported to be stable up to 285 C, while salts of the same cation with other anions such as BF4- and PF6- are thermally stable above 380 C under inert atmosphere. It is well known that presence of impurities in ionic liquids typically causes changes in physical properties, e.g. decreasing in melting point and viscosity. Addition of Lewis acidic metal chlorides, e.g. AlCl3 to 1-alkyl-3-methylimidazolium chloride, [AMIM]Cl, is an exothermic reaction and considerably reduces the melting point by forming [AMIM]AlCl4 or [AMIM]Al2Cl7 that are also ionic liquids but have much lower melting point than the parent [AMIM]Cl. While most early research on catalysis of ionic liquids involving metallohalide anions were typically conducted from stoichiometric ratio of such anions to organic cations, e.g. [AMIM]+, the use of pure ionic liquids only as a solvent to carry out catalysis by a catalytic amount of a metal halide as catalyst truly displayed the solvent property of such ionic liquids.4 In such reaction systems, catalytic amounts of metal halides were used to catalyze the conversion of glucose and cellulose.4,11,12 The metal chloride catalyst concentration was in the order of 10-3 M. The presence of another metal chloride in the ionic liquids, even in the order of 10-5 M concentration was found

  2. Solvent Extraction Separation of La3+ and Ba2+ using Imidazolium Ionic Liquids and TODGA Extractant

    SciTech Connect

    Bell, Jason R; Dai, Sheng; Luo, Huimin

    2012-01-01

    Solvent extractions of La3+ and Ba2+ by N,N,N ,N -tetra(n-octyl)diglycolamide (TODGA) from aqueous solutions in twelve imidazolium-based ionic liquids (ILs), 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide / bis(perfluoroethylsulfonyl)imide ([Cnmim][NTf2]/[BETI], n = 2,3, 4, 6, 8, 10) were investigated. The corresponding extraction efficiencies were found to be dependent on concentration of TODGA used, the acidity of aqueous phase, alkyl chain length on IL cation, and IL anion as well.

  3. Mechanisms of hydrogen bond formation between ionic liquids and cellulose and the influence of water content.

    PubMed

    Rabideau, Brooks D; Ismail, Ahmed E

    2015-02-28

    We study the dynamics of the formation of multiple hydrogen bonds between ionic liquid anions and cellulose using molecular dynamics simulations. We examine fifteen different ionic liquids composed of 1-alkyl-3-methylimidazolium cations ([Cnmim], n = 1, 2, 3, 4, 5) paired with either chloride, acetate or dimethylphosphate. We map the transitions of anions hydrogen bonded to cellulose into different bonding states. We find that increased tail length in the ionic liquids has only a very minor effect on these transitions, tending to slow the dynamics of the transitions and increasing the hydrogen bond lifetimes. Each anion can form up to four hydrogen bonds with cellulose. We find that this hydrogen bond "redundancy" leads to multiply bonded anions having lifetimes three to four times that of singly bound anions. Such redundant hydrogen bonds account for roughly half of all anion-cellulose hydrogen bonds. Additional simulations for [C2mim]Cl, [C2mim]Ac and [C2mim]DMP were performed at different water concentrations between 70 mol% and 90 mol%. It was found that water crowds the hydrogen bond-accepting sites of the anions, preventing interactions with cellulose. The more water that is present in the system, the more crowded these sites become. Thus, if a hydrogen bond between an anion and cellulose breaks, the likelihood that it will be replaced by a nearby water molecule increases as well. We show that the formation of these "redundant" hydrogen bonding states is greatly affected by the presence of water, leading to steep drops in hydrogen bonding between the anions and cellulose.

  4. The vapour of imidazolium-based ionic liquids: a mass spectrometry study.

    PubMed

    Deyko, A; Lovelock, K R J; Licence, P; Jones, R G

    2011-10-06

    Eight common dialkylimidazolium-based ionic liquids have been successfully evaporated in ultra-high vacuum and their vapours analysed by line of sight mass spectrometry using electron ionisation. The ionic liquids investigated were 1-alkyl-3-methylimidazolium bis[(trifluoromethane)sulfonyl]imide, [C(n)C(1)Im][Tf(2)N] (where n = 2, 4, 6, 8), 1-alkyl-3-methylimidazolium tetrafluoroborate, [C(n)C(1)Im][BF(4)] (where n = 4, 8), 1-butyl-3-methylimidazolium octylsulfate, [C(4)C(1)Im][C(8)OSO(3)] and 1-butyl-3-methylimidazolium tetrachloroferrate, [C(4)C(1)Im][FeCl(4)]. All ionic liquids studied here evaporated as neutral ion pairs; no evidence of decomposition products in the vapour phase were observed. Key fragment cations of the ionised vapour of the ionic liquids are identified. The appearance energies, E(app), of the parent cation were measured and used to estimate the ionisation energies, E(i), for the vapour phase neutral ion pairs. Measured ionisation energies ranged from 10.5 eV to 13.0 eV. Using both the identity and E(app) values, the fragmentation pathways for a number of fragment cations are postulated. It will be shown that the enthalpy of vaporisation, Δ(vap)H, can successfully be measured using more than one fragment cation, although caution is required as many fragment cations can also be formed by ionisation of decomposition products.

  5. Structure of room temperature ionic liquids

    NASA Astrophysics Data System (ADS)

    Yethiraj, Arun

    2016-10-01

    The structure of room temperature ionic liquids is studied using molecular dynamics simulations and integral equation theory. Three ionic liquids 1-alkyl-3-methylimidazolium hexfluorophosphate, [C n MIM] [PF6], for n  =  1, 4, and 8, are studied using a united atom model of the ions. The primary interest is a study of the pair correlation functions and a test of the reference interaction site model theory. There is liquid-like ordering in the liquid that arises from electrostatic attractions and steric packing considerations. The theory is not in quantitative agreement with the simulation results and underestimates the degree of liquid-like order. A pre-peak in the static structure factor is seen in both simulations and theory, suggesting that this is a geometric effect arising from a packing of the alkyl chains.

  6. A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.

    PubMed

    Nelyubina, Yulia V; Shaplov, Alexander S; Lozinskaya, Elena I; Buzin, Mikhail I; Vygodskii, Yakov S

    2016-08-17

    Volume-based prediction of melting points and other properties of ionic liquids (ILs) relies on empirical relations with volumes of ions in these low-melting organic salts. Here we report an accurate way to ionic volumes by Bader's partitioning of electron densities from X-ray diffraction obtained via a simple database approach. For a series of 1-tetradecyl-3-methylimidazolium salts, the volumes of different anions are found to correlate linearly with melting points; larger anions giving lower-melting ILs. The volume-based concept is transferred to ionic liquid crystals (ILs that adopt liquid crystalline mesophases, ILCs) for predicting the domain of their existence from the knowledge of their constituents. For 1-alkyl-3-methylimidazolium ILCs, linear correlations of ionic volumes with the occurrence of LC mesophase and its stability are revealed, thus paving the way to rational design of ILCs by combining suitably sized ions.

  7. An XAFS study of nickel chloride in the ionic liquid 1-ethyl-3-methyl imidazolium chloride/ aluminum chloride

    SciTech Connect

    D Roeper; G Cheek; K Pandya; W OGrady

    2011-12-31

    Nickel chloride was studied with cyclic voltammetry and X-ray absorption spectroscopy in acidic and basic aluminum chloride/1-ethyl-3-methyl imidazolium chloride (EMIC) ionic liquids. Acidic melts display metal stripping peaks which are not observed in the basic melt. EXAFS analysis shows that the nickel is tetrahedrally coordinated with chloride ions in the basic solution. In the acidic solution the nickel is coordinated by six chloride ions that are also associated with aluminum ions.

  8. An XAFS Study of Niobium chloride in the ionic liquid 1-ethyl-3-methyl imidazolium chloride/ aluminum chloride

    SciTech Connect

    D Roeper; K Pandya; G Cheek; W OGrady

    2011-12-31

    Niobium chloride was studied with extended X-ray absorption fine structure spectroscopy (EXAFS) in acidic and basic aluminum chloride/1-ethyl-3-methyl imidazolium chloride (EMIC) ionic liquids. Although anhydrous Nb2Cl10 is more soluble in the basic melt than in the acidic melt, the EXAFS data shows that the coordination shell around the niobium does not change in the different ionic liquids. Both the acidic and basic melts show a coordination of five chlorides in the first shell. This indicates that in this series of ionic liquids, the Nb2Cl10 breaks up into two NbCl5 entities in both the acidic and the basic melts.

  9. Solubility of CO2 and N2O in an Imidazolium-Based Lipidic Ionic Liquid.

    PubMed

    Langham, Jacob V; O'Brien, Richard A; Davis, James H; West, Kevin N

    2016-10-13

    Imidazolium-based ionic liquids have been extensively studied for their ability to dissolve a wide variety of gases and for their potential to be used as separation agents in industrial processes. For many short chain 1-alkyl-3-methylimidazolium bistriflimde salts, CO2 and N2O solublities are very similar. In this work, the solubility of CO2 and N2O has been measured in the lipidic ionic liquid 1-methyl-3-(Z-octadec-9-enyl)imidazolium bistriflimide ([oleyl-mim][NTf2]) at 298 K, 310 and 323 K up to ∼2 MPa. N2O was found to have higher solubility than CO2 under the same conditions, similar to the behavior observed when olive oil, a natural lipid, was the liquid solvent. However, the solubility of each gas on a mole fraction basis is lower in the ionic liquid than in olive oil. Comparison of the gas solubilities on a mass fraction basis demonstrates that CO2 solubility is nearly identical in both liquids; N2O solubility is higher than CO2 for both liquids, but more so in the olive oil. The difference is attributed to the high mass fraction of the olive oil that is lipid-like in character. The differential solubility of N2O/CO2 in this ionic liquid, in contrast to that of shorter chain 1-alkyl-3-methylimidazolium bistriflimide salts, gives physical insight into the solvent properties of this class of ionic liquids and provides further support for their lipid-like character.

  10. An XAFS Study of Tantalum Chloride in the Ionic Liquid 1-ethyl-3-methyl Imidazolium Chloride/ aluminum Chloride

    SciTech Connect

    D Roeper; K Pandya; G Cheek; W OGrady

    2011-12-31

    Tantalum chloride was studied with extended X-ray absorption fine structure spectroscopy (XAFS) in acidic and basic aluminum chloride/1-ethyl-3-methyl imidazolium chloride ionic liquids (ILs). Anhydrous Ta2Cl10 is more soluble in the basic solution than in the acidic solution and the X-ray absorption data shows that the coordination shell of chlorides around the tantalum is larger in the basic solution. In the acidic solution, tantalum has five chlorides in its coordination shell while in the basic solution; the tantalum is coordinated by seven chlorides. This indicates that the Lewis acidity of the tantalum chloride causes the Ta to coordinate differently in the acidic and the basic solutions.

  11. Extraction and Chromatographic Determination of Shikimic Acid in Chinese Conifer Needles with 1-Benzyl-3-methylimidazolium Bromide Ionic Liquid Aqueous Solutions

    PubMed Central

    Chen, Fengli; Hou, Kexin; Li, Shuangyang; Zu, Yuangang; Yang, Lei

    2014-01-01

    An ionic liquids-based ultrasound-assisted extraction (ILUAE) method was successfully developed for extracting shikimic acid from conifer needles. Eleven 1-alkyl-3-methylimidazolium ionic liquids with different cations and anions were investigated and 1-benzyl-3-methylimidazolium bromide solution was selected as the solvent. The conditions for ILUAE, including the ionic liquid concentration, ultrasound power, ultrasound time, and liquid-solid ratio, were optimized. The proposed method had good recovery (99.37%–100.11%) and reproducibility (RSD, n = 6; 3.6%). ILUAE was an efficient, rapid, and simple sample preparation technique that showed high reproducibility. Based on the results, a number of plant species, namely, Picea koraiensis, Picea meyeri, Pinus elliottii, and Pinus banksiana, were identified as among the best resources of shikimic acid. PMID:24782942

  12. Development of sample preparation method for eleutheroside B and E analysis in Acanthopanax senticosus by ionic liquids-ultrasound based extraction and high-performance liquid chromatography detection.

    PubMed

    Yang, Lei; Ge, Hongshuang; Wang, Wenjie; Zu, Yuangang; Yang, Fengjian; Zhao, Chunjian; Zhang, Lin; Zhang, Ying

    2013-12-01

    An ionic liquids-based ultrasonic-assisted extraction (ILUAE) method was successfully developed for extracting eleutheroside B and E from Radix Acanthopanax senticosus. Thirteen 1-alkyl-3-methylimidazolium ionic liquids with different cations and anions were investigated and 1-butyl-3-methylimidazolium bromide ([C4mim]Br) solution was selected as the solvent. The conditions for ILUAE, including the ionic liquid concentration, soaking time, ultrasonic power, ultrasonic time, solid-liquid ratio and number of extraction cycles, were optimized. With the proposed method, the energy consumption time was reduced to 30 min, whereas conventional method requires about 4h. The proposed method had good recovery (97.96-103.39%) and reproducibility (RSD, n=5; 3.3% for eleutheroside B, 4.6% for eleutheroside E). ILUAE was an efficient, rapid and simple sample preparation technique that showed high reproducibility and was environmental friendly.

  13. Inclusion complex formation of ionic liquids with 4-sulfonatocalixarenes studied by competitive binding of berberine alkaloid fluorescent probe

    NASA Astrophysics Data System (ADS)

    Miskolczy, Zsombor; Biczók, László

    2009-07-01

    A clinically important natural isoquinoline alkaloid, berberine, was used as a fluorescent probe to study the encapsulation of 1-alkyl-3-methylimidazolium (C nMIm +) type ionic liquids in 4-sulfonato-substituted calix[4]arene (SCX4) and calix[6]arene (SCX6) at pH 2. Addition of ionic liquids to the aqueous solution of berberine-SCXn inclusion complexes brought about considerable fluorescence intensity diminution due to the extrusion of berberine from the macrocycle into the aqueous phase by the competitive inclusion of C nMIm + cation. The lengthening of the aliphatic side chain of the imidazolium moiety diminished the equilibrium constant of complexation with SCX4, but enhanced the stability of SCX6 complexes. Larger binding strength was found for SCX4.

  14. Isomer effect of propanol on liquid-liquid equilibrium in hydrophobic room-temperature ionic liquids

    NASA Astrophysics Data System (ADS)

    Ozawa, Shinichiro; Kishimura, Hiroaki; Kitahira, Shota; Tamatani, Kentaro; Hirayama, Kentaro; Abe, Hiroshi; Yoshimura, Yukihiro

    2014-10-01

    The cloud-point temperature determined the liquid-liquid phase equilibrium (LLE) of binary systems comprising hydrophobic room-temperature ionic liquids (RTILs) and propanol. The RTILs were 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide, [Cxmim][TFSI] (2 ≤ x ≤ 10). Upper critical solution temperatures in LLE are inversely proportional to the Cxmim+ cation alkyl chain length, x. The propanol isomer effect indicates the critical alkyl chain length (xcritical = 6-7). UNIQUAC model determined the interaction parameters (with crossing points at x = 6). In pure RTILs, conformation stability of TFSI- by Raman spectroscopy changed between x = 6 and 7, corresponding to the simulation-determined 90°-torsion angle at x = 6.

  15. XAFS Studies of Ni Ta and Nb Chlorides in the Ionic Liquid 1-Ethyl-3-Methyl Imidazolium Chloride / Aluminum Chloride

    SciTech Connect

    W OGrady; D Roeper; K Pandya; G Cheek

    2011-12-31

    The structures of anhydrous nickel, niobium, and tantalum chlorides have been investigated in situ in acidic and basic ionic liquids (ILs) of 1-methyl-3-ethylimidazolium chloride (EMIC)/AlCl{sub 3} with X-ray absorption spectroscopy (XAS). The coordination of NiCl{sub 2} changes from tetrahedral in basic solution to octahedral in acidic solution. The NiCl{sub 2} is a strong Lewis acid in that it can induce the AlCl{sub 3} to share its chlorides in the highly acidic IL, forming a structure with six near Cl{sup -} ions and eight further distant Al ions which share the chloride ions surrounding the Ni{sup 2+}. When Nb{sub 2}Cl{sub 10}, a dimer, is added to the acidic or basic solution, the dimer breaks apart and forms two species. In the acid solution, two trigonal bipyramids are formed with five equal chloride distances, while in the basic solution, a square pyramid with four chlorides forming a square base and one shorter axial chloride bond. Ta{sub 2}Cl{sub 10} is also a dimer and divides into half in the acidic solution and forms two trigonal bipyramids. In the basic solution, the dimer breaks apart but the species formed is sufficiently acidic that it attracts two additional chloride ions and forms a seven coordinated tantalum species.

  16. Ionic Liquid and Silica Sol-Gel Composite Materials Doped with N,N,N ',N '-tetra(n-octyl)diglycolamide for Extraction of La3+ and Ba2+

    SciTech Connect

    Bell, Jason R; Dai, Sheng; Yu, Bo; Luo, Huimin

    2012-01-01

    Sol-gel processed silica materials which incorporated ionic liquids and tetraoctyldiglycolamide (TODGA) were prepared and used for extraction of La3+ and Ba2+ from aqueous solution. Imidazolium-based ionic liquids, 1-alkyl-3-methylimidazolium bis(trifluoromethane)sulfonimide ([Cnmim][NTf2]) were entrapped in the monolithic composite sorbents. Extraction efficiency was found to be dependent upon both the volume of IL used in the silica matrix, and the alkyl chain length of the IL cation. The silica composite sorbent containing [C8mim][NTf2] exhibited the best extraction efficiency for La3+ and the best separation factor for La3+ / Ba 2+. The results were analyzed by both Langmuir and Freundlich adsorption isotherm models, and the Freundlich model was found to give better fit.

  17. Maxwell-Stefan diffusivities in binary mixtures of ionic liquids with dimethyl sulfoxide (DMSO) and H2O.

    PubMed

    Liu, Xin; Vlugt, Thijs J H; Bardow, André

    2011-07-07

    Ionic liquids (ILs) are promising solvents for applications ranging from CO2 capture to the pretreatment of biomass. However, slow diffusion often restricts their applicability. A thorough understanding of diffusion in ILs is therefore highly desirable. Previous research largely focused on self-diffusion in ILs. For practical applications, mutual diffusion is by far more important than self-diffusion. For describing mutual diffusion in multicomponent systems, the Maxwell-Stefan (MS) approach is commonly used. Unfortunately, it is difficult to obtain MS diffusivities from experiments, but they can be directly extracted from molecular dynamics (MD) simulations. In this work, MS diffusivities were computed in binary systems containing 1-alkyl-3-methylimidazolium chloride (C(n)mimCl, n = 2, 4, 8), water, and/or dimethyl sulfoxide (DMSO) using MD. The dependence of self- and MS diffusivities on mixture composition was investigated. Our results show the following: (1) For solutions of ILs in water and DMSO, self-diffusivities decrease strongly with increasing IL concentration. For DMSO-IL, a single exponential decay is observed. (2) In both water-IL and DMSO-IL, MS diffusivities vary by a factor of 10 within the concentration range which is, however, still significantly smaller than the variation of the self-diffusion coefficients. (3) The MS diffusivities of the IL are almost independent of the alkyl chain length. (4) ILs stay in a form of isolated ions in C(n)mimCl-H2O mixtures; however, dissociation into ions is much less observed in C(n)mimCl-DMSO systems. This has a large effect on the concentration dependence of MS diffusivities. (5) Recently, we proposed a new model for predicting the MS diffusivity at infinite dilution, that is, Đ(ij)(x(k-->)1) (Ind. Eng. Chem. Res. 2011, 50, 4776-4782). This quantity describes the friction between components i and j when both are infinitely diluted in component k. In contrast to earlier empirical models, our model is based on

  18. Glass transition of ionic liquids under high pressure.

    PubMed

    Ribeiro, Mauro C C; Pádua, Agílio A H; Gomes, Margarida F Costa

    2014-06-28

    The glass transition pressure at room temperature, pg, of six ionic liquids based on 1-alkyl-3-methylimidazolium cations and the anions [BF4](-), [PF6](-), and bis(trifluromethanesulfonyl)imide, [NTf2](-), has been obtained from the pressure dependence of the bandwidth of the ruby fluorescence line in diamond anvil cells. Molar volume, Vm(pg), has been estimated by a group contribution model (GCM) developed for the ionic liquids. A density scaling relation, TV(γ), has been considered for the states Vm(pg, 295 K) and Vm(Tg, 0.1 MPa) using the simplifying condition that the viscosity at the glass transition is the same at pg at room temperature and at atmospheric pressure at Tg. Assuming a constant γ over this range of density, a reasonable agreement has been found for the γ determined herein and that of a previous density scaling analysis of ionic liquids viscosities under moderate conditions. Further support for the appropriateness of extrapolating the GCM equation of state to the GPa pressure range is provided by comparing the GCM and an equation of state previously derived in the power law density-scaling regime.

  19. The presence of functional groups key for biodegradation in ionic liquids: effect on gas solubility.

    PubMed

    Deng, Yun; Morrissey, Saibh; Gathergood, Nicholas; Delort, Anne-Marie; Husson, Pascale; Costa Gomes, Margarida F

    2010-03-22

    The effect of the incorporation of either ester or ester and ether functions into the side chain of an 1-alkyl-3-methylimidazolium cation on the physico-chemical properties of ionic liquids containing bis(trifluoromethylsulfonyl)imide or octylsulfate anions is studied. It is believed that the introduction of an ester function into the cation of the ionic liquids greatly increases their biodegradability. The density of three such ionic liquids is measured as a function of temperature, and the solubility of four gases-carbon dioxide, ethane, methane, and hydrogen-is determined between 303 K and 343 K and at pressures close to atmospheric level. Carbon dioxide is the most soluble gas, followed by ethane and methane; the mole fraction solubilities vary from 1.8 x 10(-3) to 3.7 x 10(-2). These solubilities are of the same order of magnitude as those determined for alkylimidazolium-based ionic liquids. The chemical modification of the alkyl side chain does not result in a significant change of the solvation properties of the ionic liquid. All of the solubilities decrease with increasing temperature, corresponding to an exothermal solvation process. From the variation of this property with temperature, the thermodynamic functions of solvation (Gibbs energy, enthalpy, and entropy) are calculated and provide information about the solute-solvent interactions and the molecular structure of the solutions.

  20. Application of ionic liquids based enzyme-assisted extraction of chlorogenic acid from Eucommia ulmoides leaves.

    PubMed

    Liu, Tingting; Sui, Xiaoyu; Li, Li; Zhang, Jie; Liang, Xin; Li, Wenjing; Zhang, Honglian; Fu, Shuang

    2016-01-15

    A new approach for ionic liquid based enzyme-assisted extraction (ILEAE) of chlorogenic acid (CGA) from Eucommia ulmoides is presented in which enzyme pretreatment was used in ionic liquids aqueous media to enhance extraction yield. For this purpose, the solubility of CGA and the activity of cellulase were investigated in eight 1-alkyl-3-methylimidazolium ionic liquids. Cellulase in 0.5 M [C6mim]Br aqueous solution was found to provide better performance in extraction. The factors of ILEAE procedures including extraction time, extraction phase pH, extraction temperatures and enzyme concentrations were investigated. Moreover, the novel developed approach offered advantages in term of yield and efficiency compared with other conventional extraction techniques. Scanning electronic microscopy of plant samples indicated that cellulase treated cell wall in ionic liquid solution was subjected to extract, which led to more efficient extraction by reducing mass transfer barrier. The proposed ILEAE method would develope a continuous process for enzyme-assisted extraction including enzyme incubation and solvent extraction process. In this research, we propose a novel view for enzyme-assisted extraction of plant active component, besides concentrating on enzyme facilitated cell wall degradation, focusing on improvement of bad permeability of ionic liquids solutions.

  1. The Structure of Nickel Chloride in the Ionic Liquid 1-Ethyl-3-methyl Imidazolium Chloride/Aluminum Chloride: X-ray Absorption Spectroscopy

    SciTech Connect

    D Roeper; K Pandya; G Cheek; W OGrady

    2011-12-31

    The structure of anhydrous nickel chloride in the ionic liquid 1-ethyl-3-methyl imidazolium chloride and aluminum chloride has been investigated with extended X-ray absorption fine structure (EXAFS) in both Lewis acid and Lewis base solutions. The EXAFS data of NiCl{sub 2} {center_dot} 6H{sub 2}O crystals were also recorded and analyzed to demonstrate the difference file technique. The difference file technique is used to obtain the structural information for the very closely spaced coordination shells of chloride and oxygen in NiCl{sub 2} {center_dot} 6H{sub 2}O and they are found to agree very closely with the X-ray diffraction data. The difference file technique is then used to analyze the nickel chloride in the ionic liquid solutions. Even though anhydrous NiCl{sub 2} is more soluble in the basic solution than in the acidic solution, the EXAFS data show a single coordination of four chlorides in a tetrahedron around the nickel atom in the basic solution. In a weak acid solution, there are six chlorides in a single octahedral coordination shell around the nickel. However, in a strong acid solution, in addition to the octahedral chloride-coordination shell, there is a second coordination shell of eight aluminum atoms in the form of a simple cube.

  2. Non-classical diffusion in ionic liquids.

    PubMed

    Taylor, Alasdair W; Licence, Peter; Abbott, Andrew P

    2011-06-07

    In this study the diffusion coefficient of neutral and cationic ferrocenyl-derivatives have been characterised in a range of 1-alkyl-3-methylimidazolium ionic liquids of the general form [C(n)C(1)Im](+)[X](-). The electrochemistry of ferrocene, 1-ferrocenylmethylimidazole (FcC(1)Im), 1-ferrocenylmethylimidazolium bis(trifluoromethanesulfonyl)imide ([FcC(1)C(1)Im][Tf(2)N]) and N,N,N,N-trimethylferrocenyl-methylammonium bis(trifluoromethanesulfonyl)imide ([FcC(1)NMe(3)][Tf(2)N]), in 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C(2)C(1)Im][Tf(2)N]) was investigated. It was shown that the diffusion coefficients of each were not significantly affected by the presence and location of a positive charge on the ferrocenyl-derivative, suggesting that coulombic solvent-solute interactions did not hinder motion of these species in ionic liquids. The diffusion coefficients for [FcC(1)C(1)Im][Tf(2)N] in five [C(n)C(1)Im][X] ionic liquids were determined as a function of temperature and the data shown to disobey the Stokes-Einstein equation. This observation is consistent with the fact that ionic liquids are glass formers, systems in which non-Stokesian behaviour is well documented. Measured diffusion coefficient data was used to determine correlation length in the ionic liquid and was found to correlate with the average size of holes, or voids, within the ionic liquid. This interpretation suggests that a model by which a migrating species can jump between voids or holes within the liquid is highly appropriate and is consistent with the observed behaviour measured across a range of temperatures.

  3. Using FT-IR spectroscopy to measure charge organization in ionic liquids.

    PubMed

    Burba, Christopher M; Janzen, Jonathan; Butson, Eric D; Coltrain, Gage L

    2013-07-25

    A major goal in the field of ionic liquids is correlating transport property trends with the underlying liquid structure of the compounds, such as the degree of charge organization among the constituent ions. Traditional techniques for experimentally assessing charge organization are specialized and not readily available for routine measurements. This represents a significant roadblock in elucidating these correlations. We use a combination of transmission and polarized-ATR infrared spectroscopy to measure the degree of charge organization for ionic liquids. The technique is illustrated with a family of 1-alkyl-3-methylimidazolium trifluoromethanesulfonate ionic liquids at 30 °C. As expected, the amount of charge organization decreases as the alkyl side chain is lengthened, highlighting the important role of short-range repulsive interactions in defining quasilattice structure. Inherent limitations of the method are identified and discussed. The quantitative measurements of charge organization are then correlated with trends in the transport properties of the compounds to highlight the relationship between charge and momentum transport and the underlying liquid structure. Most research laboratories possess infrared spectrometers capable of conducting these measurements; thus, the proposed method may represent a cost-effective solution for routinely measuring charge organization in ionic liquids.

  4. Effects of chloride and ionic strength on physical morphology, dissolution, and bacterial toxicity of silver nanoparticles.

    PubMed

    Chambers, Bryant A; Afrooz, A R M Nabiul; Bae, Sungwoo; Aich, Nirupam; Katz, Lynn; Saleh, Navid B; Kirisits, Mary Jo

    2014-01-01

    In this study, we comprehensively evaluate chloride- and ionic-strength-mediated changes in the physical morphology, dissolution, and bacterial toxicity of silver nanoparticles (AgNPs), which are one of the most-used nanomaterials. The findings isolate the impact of ionic strength from that of chloride concentration. As ionic strength increases, AgNP aggregation likewise increases (such that the hydrodynamic radius [HR] increases), fractal dimension (Df) strongly decreases (providing increased available surface relative to suspensions with higher Df), and the release of Ag(aq) increases. With increased Ag(+) in solution, Escherichia coli demonstrates reduced tolerance to AgNP exposure (i.e., toxicity increases) under higher ionic strength conditions. As chloride concentration increases, aggregates are formed (HR increases) but are dominated by AgCl(0)(s) bridging of AgNPs; relatedly, Df increases. Furthermore, AgNP dissolution strongly increases under increased chloride conditions, but the dominant, theoretical, equilibrium aqueous silver species shift to negatively charged AgClx((x-1)-) species, which appear to be less toxic to E. coli. Thus, E. coli demonstrates increased tolerance to AgNP exposure under higher chloride conditions (i.e., toxicity decreases). Expression measurements of katE, a gene involved in catalase production to alleviate oxidative stress, support oxidative stress in E. coli as a result of Ag(+) exposure. Overall, our work indicates that the environmental impacts of AgNPs must be evaluated under relevant water chemistry conditions.

  5. Growth inhibition and effect on photosystem by three imidazolium chloride ionic liquids in rice seedlings.

    PubMed

    Liu, Huijun; Zhang, Shuxian; Zhang, Xiaoqiang; Chen, Caidong

    2015-04-09

    The effects of three imidazolium chloride ionic liquids (ILs) including 1-octyl-3-methylimidazolium chloride ionic liquid ([OMIM]Cl), 1-decyl-3-methylimidazolium chloride ionic liquid ([DMIM]Cl) and 1-dodecyl-3-methylimidazolium chloride ionic liquid ([C12MIM]Cl) were studied in hydroponically grown rice seedlings. The growth inhibition rate increased and the Hill reaction activity of isolated rice chloroplasts decreased with increasing ILs concentrations. The IC50,5d for stem length was 0.70 mg/L of [OMIM]Cl, 0.15 mg/L of [DMIM]Cl, and 0.055 mg/L of [C12MIM]Cl, respectively. The SOD, POD and CAT activities of chloroplast exhibited initial increases followed by decreases in activity with increasing ILs concentrations. Chlorophyll fluorescence parameters such as the maximum effective quantum yield of PSII(Fv/Fm), the potential activity of PSII(Fv/F0), the yield of photochemical quantum [Y(II)], the photochemical quenching coefficient (qP), the non-photochemical quenching coefficient (NPQ) and the relative electron transport ratio (rETR) were affected, showing that ILs will damage the PSII. The results demonstrated that imidazolium chloride ILs are phytotoxic to rice growth and their photosystem, the toxicity increased as the alkyl chain length increased with the following order: [OMIM]Cl<[DMIM]Cl<[C12MIM]Cl. The results will help to better understand the possible role of the defense mechanism in rice caused by ILs exposure.

  6. Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field.

    PubMed

    Vergadou, Niki; Androulaki, Eleni; Hill, Jörg-Rüdiger; Economou, Ioannis G

    2016-03-07

    Imidazolium-based ionic liquids (ILs) incorporating the tricyanomethanide ([TCM(-)]) anion are studied using an optimized classical force field. These ILs are very promising candidates for use in a wide range of cutting-edge technologies and, to our knowledge, it is the first time that this IL family is subject to a molecular simulation study with the use of a classical atomistic force field. The [C4mim(+)][TCM(-)] ionic liquid at 298.15 K and at atmospheric pressure was used as the basis for force field optimization which primarily involved the determination of the Lennard-Jones parameters of [TCM(-)] and the implementation of three quantum mechanical schemes for the calculation of the partial charge distribution and the identification of the appropriate scaling factor for the reduction of the total ionic charge. The optimized force field was validated by performing simulations of the 1-alkyl-3-methylimidazolium tricyanomethanide ([Cnmim(+)][TCM(-)], n = 2, 4, 6, and 8) IL family at various temperatures. The results for density, self-diffusivity and viscosity are in very good agreement with the available experimental data for all ILs verifying that the force field reliably reproduces the behaviour of the imidazolium-based [TCM(-)] IL family in a wide temperature range. Furthermore, a detailed analysis of the microscopic structure and the complex dynamic behaviour of the ILs under study was performed.

  7. Stable ferrofluids of magnetite nanoparticles in hydrophobic ionic liquids.

    PubMed

    Mestrom, Luuk; Lenders, Jos J M; de Groot, Rick; Hooghoudt, Tonnis; Sommerdijk, Nico A J M; Artigas, Marcel Vilaplana

    2015-07-17

    Ferrofluids (FFs) of metal oxide nanoparticles in ionic liquids (ILs) are a potentially useful class of magnetic materials for many applications because of their properties related to temperature/pressure stability, hydrophobicity, viscosity and recyclability. In this work, the screening of several designer surfactants for their stabilizing capabilities has resulted in the synthesis of stable FFs of superparamagnetic 7 ± 2 nm magnetite (Fe3O4) nanoparticles in the hydrophobic IL 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C(R)MIM][NTf2]). The designed and synthesized 1-butyl-3-(10-carboxydecyl)-1H-imidazol-3-ium bromide (ILC10-COOH) surfactant that combines the same imidazole moiety as the IL with a long alkyl chain ensured compatibility with the IL and increased the steric repulsion between the magnetite nanoparticles sufficiently such that stable dispersions of up to 50 wt% magnetite were obtained according to stability tests in the presence of a magnetic field (0.5-1 Tesla). Cryo-transmission electron microscopy (cryo-TEM) of the IL-based FFs allowed direct visualization of the surfactant-stabilized nanoparticles in the ILs and the native, hardly aggregated state of their dispersion.

  8. Stable ferrofluids of magnetite nanoparticles in hydrophobic ionic liquids

    NASA Astrophysics Data System (ADS)

    Mestrom, Luuk; Lenders, Jos J. M.; de Groot, Rick; Hooghoudt, Tonnis; Sommerdijk, Nico A. J. M.; Vilaplana Artigas, Marcel

    2015-07-01

    Ferrofluids (FFs) of metal oxide nanoparticles in ionic liquids (ILs) are a potentially useful class of magnetic materials for many applications because of their properties related to temperature/pressure stability, hydrophobicity, viscosity and recyclability. In this work, the screening of several designer surfactants for their stabilizing capabilities has resulted in the synthesis of stable FFs of superparamagnetic 7 ± 2 nm magnetite (Fe3O4) nanoparticles in the hydrophobic IL 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([CRMIM][NTf2]). The designed and synthesized 1-butyl-3-(10-carboxydecyl)-1H-imidazol-3-ium bromide (ILC10-COOH) surfactant that combines the same imidazole moiety as the IL with a long alkyl chain ensured compatibility with the IL and increased the steric repulsion between the magnetite nanoparticles sufficiently such that stable dispersions of up to 50 wt% magnetite were obtained according to stability tests in the presence of a magnetic field (0.5-1 Tesla). Cryo-transmission electron microscopy (cryo-TEM) of the IL-based FFs allowed direct visualization of the surfactant-stabilized nanoparticles in the ILs and the native, hardly aggregated state of their dispersion.

  9. [Effects of imidazolium chloride ionic liquids on the acute toxicity and weight of earthworm].

    PubMed

    Huang, Ruo-Nan; Fan, Jun-Jie; Tu, Hong-Zhi; Tang, Ling-Yan; Liu, Hui-Jun; Xu, Dong-Mei

    2013-04-01

    Standard contact filter paper test of OECD and artificial soil test were used to study the acute lethal effect of three imidazolium chloride ionic liquids, 1-butyl- 3-methylimidazolium chloride ([Bmim] Cl), 1-hexyl- 3-methylimidazolium chloride ([Hmim] Cl), and 1-octyl- 3-methylimidazolium chloride ([Omim] Cl) on earthworm (Eisenia fetida), and the weight of the earthworms was measured after subtle exposure. The 24 h-LC50 values of [Bmim] Cl, [Hmim] Cl and [Omim] Cl using the contact filter paper method were 109.60, 50.38 and 7.94 microg x cm(-2), respectively. The 48 h-LC50 values were 98.52, 39.14 and 3.61 microg x cm(-2), respectively. Using the artificial soil method, the 7 d-LC50 values of [Bmim] Cl, [Hmim] Cl and [Omim] Cl were 447.78, 245.56 and 180.51 mg x kg(-1), respectively, and the 14 d-LC50 values were 288.42, 179.75, 150.35 mg x kg(-1), respectively. There were differences in poisoning symptoms of the three ionic liquids on earthworms. The growth of Eisenia fetida was inhibited and declined with increasing ionic liquid concentration. The toxicity of ionic liquids on Eisenia fetida increased with the length of carbon chain.

  10. Selective oxidation of cyclohexanol to cyclohexanone in the ionic liquid 1-octyl-3-methylimidazolium chloride.

    PubMed

    Chen, Long; Zhou, Teng; Chen, Lifang; Ye, Yinmei; Qi, Zhiwen; Freund, Hannsjörg; Sundmacher, Kai

    2011-09-07

    Ionic liquid (IL) 1-octyl-3-methylimidazolium chloride was found to effectively intensify cyclohexanol oxidation and resulted in 100% conversion of cyclohexanol with 100% selectivity to cyclohexanone using hydrogen peroxide as an oxidant and WO(3) as a catalyst. The effect of the IL as a solvent is discussed with the support of COSMO-RS theory.

  11. Influence of ester functional groups on the liquid-phase structure and solvation properties of imidazolium-based ionic liquids.

    PubMed

    Pensado, Alfonso S; Pádua, Agílio A H; Costa Gomes, Margarida F

    2011-04-14

    The incorporation of ester functions in the side chains in 1-alkyl-3-methylimidazolium cations seems to increase the biodegradability of these ionic liquids. We study here how the presence of ester functional groups affects the liquid-state structure (namely, the microphase segregation between polar and nonpolar domains in these ionic liquids) and the way in which the solvation of gases can be understood in these solvents. We use molecular simulation to study the structure of the ionic liquids 3-methyl-1-(pentoxycarbonylmethyl)imidazolium octylsulfate, [C(1)COOC(5)C(1)im][C(8)SO(4)]; and 3-methyl-1-(pentoxycarbonylmethyl)imidazolium bis(trifluoromethylsulfonyl)imide, [C(1)COOC(5)C(1)im][NTf(2)] in the liquid phase and to assess the molecular mechanisms of solvation of carbon dioxide and ethane. The presence of ester functions influences the relative size of the polar and nonpolar domains in the ionic liquids, but does not significantly affect the solvation of gases.

  12. Analysis of selected ionic liquid cations by ion exchange chromatography and reversed-phase high performance liquid chromatography.

    PubMed

    Stepnowski, Piotr; Mrozik, Wojciech

    2005-02-01

    The chromatographic behavior of 8 ionic liquids - 7 homologues of 1-alkyl-3-methylimidazolium and 4-methyl-N-butylpyridinium - has been investigated with a strong cation exchange adsorbent. In particular, the dependence of the retention properties of these solutes on mobile phase composition, pH, and buffer concentration was evaluated with the aim of optimizing and improving the selectivity and retention of solute separation. While using the SCX stationary phase, several interactions occurred with varying strengths, depending on the mobile phase composition. Cation exchange, nonspecific hydrophobic interactions, and adsorption chromatography behavior were observed. Reversed phase chromatography occurred at low concentrations of acetonitrile, electrostatic and adsorption interactions at higher organic modifier concentrations. Elevated buffer concentrations lowered the retention factors without affecting the selectivity of ionic liquids. Obtained results were further compared to the chromatographic behaviour of ionic liquids in the reversed phase system. All analyzed ionic liquids follow reversed-phase behavior while being separated. Much lower selectivity in the range of highly hydrophilic compounds is obtained. This suggests preferred use of ion chromatography for separation and analysis of compounds below 4 carbon atoms in the alkyl side chain.

  13. Ionic Liquids as Electrolytes for Electrochemical Double-Layer Capacitors: Structures that Optimize Specific Energy.

    PubMed

    Mousavi, Maral P S; Wilson, Benjamin E; Kashefolgheta, Sadra; Anderson, Evan L; He, Siyao; Bühlmann, Philippe; Stein, Andreas

    2016-02-10

    Key parameters that influence the specific energy of electrochemical double-layer capacitors (EDLCs) are the double-layer capacitance and the operating potential of the cell. The operating potential of the cell is generally limited by the electrochemical window of the electrolyte solution, that is, the range of applied voltages within which the electrolyte or solvent is not reduced or oxidized. Ionic liquids are of interest as electrolytes for EDLCs because they offer relatively wide potential windows. Here, we provide a systematic study of the influence of the physical properties of ionic liquid electrolytes on the electrochemical stability and electrochemical performance (double-layer capacitance, specific energy) of EDLCs that employ a mesoporous carbon model electrode with uniform, highly interconnected mesopores (3DOm carbon). Several ionic liquids with structurally diverse anions (tetrafluoroborate, trifluoromethanesulfonate, trifluoromethanesulfonimide) and cations (imidazolium, ammonium, pyridinium, piperidinium, and pyrrolidinium) were investigated. We show that the cation size has a significant effect on the electrolyte viscosity and conductivity, as well as the capacitance of EDLCs. Imidazolium- and pyridinium-based ionic liquids provide the highest cell capacitance, and ammonium-based ionic liquids offer potential windows much larger than imidazolium and pyridinium ionic liquids. Increasing the chain length of the alkyl substituents in 1-alkyl-3-methylimidazolium trifluoromethanesulfonimide does not widen the potential window of the ionic liquid. We identified the ionic liquids that maximize the specific energies of EDLCs through the combined effects of their potential windows and the double-layer capacitance. The highest specific energies are obtained with ionic liquid electrolytes that possess moderate electrochemical stability, small ionic volumes, low viscosity, and hence high conductivity, the best performing ionic liquid tested being 1-ethyl-3

  14. Thermodynamic modeling of the phase behavior of binary systems of ionic liquids and carbon dioxide with the group contribution equation of state.

    PubMed

    Breure, Bianca; Bottini, Susana B; Witkamp, Geert-Jan; Peters, Cor J

    2007-12-27

    The group contribution equation of state (GC-EOS) was applied to predict the phase behavior of binary systems of ionic liquids of the homologous families 1-alkyl-3-methylimidazolium hexafluorophosphate and tetrafluoroborate with CO2. Pure group parameters for the new ionic liquid functional groups [-mim][PF6] and [-mim][BF4] and interaction parameters between these groups and the paraffin (CH3, CH2) and CO2 groups were estimated. The GC-EOS extended with the new parameters was applied to predict high-pressure phase equilibria in binary mixtures of the ionic liquids [emim][PF6], [bmim][PF6], [hmim][PF6], [bmim][BF4], [hmim][BF4], and [omim][BF4] with CO2. The agreement between experimental and predicted bubble point data for the ionic liquids was excellent for pressures up to 20 MPa, and even for pressures up to about 100 MPa, the agreement was good. The results show the capability of the GC-EOS to describe phase equilibria of systems consisting of ionic liquids.

  15. Modeling of the carbon dioxide solubility in imidazolium-based ionic liquids with the tPC-PSAFT equation of state.

    PubMed

    Kroon, Maaike C; Karakatsani, Eirini K; Economou, Ioannis G; Witkamp, Geert-Jan; Peters, Cor J

    2006-05-11

    In this work, an equation of state (EoS) is developed to predict accurately the phase behavior of ionic liquid + CO2 systems based on the truncated perturbed chain polar statistical associating fluid theory (tPC-PSAFT) EoS. This EoS accounts explicitly for the dipolar interactions between ionic liquid molecules, the quadrupolar interactions between CO2 molecules, and the Lewis acid-base type of association between the ionic liquid and the CO2 molecules. Physically meaningful model pure-component parameters for ionic liquids are estimated based on literature data. All experimental vapor-liquid equilibrium data are correlated with a single linearly temperature-dependent binary interaction parameter. The ability of the model to describe accurately carbon dioxide solubility in various 1-alkyl-3-methylimidazolium-based ionic liquids with different alkyl chain lengths and different anions at pressures from 0 to 100 MPa and carbon dioxide fractions from 0 to 75 mol % is demonstrated. In all cases, good agreement with experimental data is obtained.

  16. Accelerated Cellulose Depolymerization Catalyzed by Paired Metal Chlorides in Ionic Liquid Solvent

    SciTech Connect

    Su, Yu; Brown, Heather M.; Li, Guosheng; Zhou, Xiao Dong; Amonette, James E.; Fulton, John L.; Camaioni, Donald M.; Zhang, Z. Conrad

    2011-01-04

    Efficient hydrolytic depolymerization of crystalline cellulose to sugars is a critical step and has been a major barrier for improved economics in the utilization of cellulosic biomass. We report a novel catalytic system involving paired metal chlorides in an ionic liquid that considerably accelerates the rate of cellulose depolymerization under mild conditions. Paired metal chlorides, consisting of CuCl2 (primary metal chloride) and a second metal chloride, such as CrCl2, PdCl2, CrCl3 or FeCl3 in 1-ethyl-3-methylimidazolium chloride ([EMIM]Cl) solvent were found to substantially accelerate the hydrolytic cleavage of 1,4-glucosidic bonds as compared to known acid-catalyzed hydrolysis in similar temperature range (80-120°C). In contrast, single metal chlorides with the same total molar loading showed much lower activity under similar conditions. Experimental results illustrate the dramatic effect of the second metal chloride in the paired catalytic system. A combination of characterization techniques, including electron paramagnetic resonance (EPR) spectroscopy, differential scanning calorimetry (DSC), X-ray absorption fine structure (XAFS) spectroscopy, and X-ray absorption near edge structure (XANES) spectroscopy, were used to reveal a preliminary understanding of possible mechanisms involved in the paired CuCl2/PdCl2 catalytic system. Results suggest that the C2-proton of the imidazolium ring may be activated by the paired metal-chloride catalysts.

  17. Electrical conductivity study on micelle formation of long-chain imidazolium ionic liquids in aqueous solution.

    PubMed

    Inoue, Tohru; Ebina, Hayato; Dong, Bin; Zheng, Liqiang

    2007-10-01

    Electrical conductivity was measured for aqueous solutions of long-chain imidazolium ionic liquids (IL), 1-alkyl-3-methylimidazolium bromides with C(12)-C(16) alkyl chains. The break points appeared in specific conductivity (kappa) vs concentration (c) plot indicates that the molecular aggregates, i.e., micelles, are formed in aqueous solutions of these IL species. The critical micelle concentration (cmc) determined from the kappa vs c plot is somewhat lower than those for typical cationic surfactants, alkyltrimethylammonium bromides with the same hydrocarbon chain length. The electrical conductivity data were analyzed according to the mixed electrolyte model of micellar solution, and the aggregation number, n, and the degree of counter ion binding, beta, were estimated. The n values of the present ILs are somewhat smaller than those reported for alkyltrimethylammonium bromides, which may be attributed to bulkiness of the cationic head group of the IL species. The thermodynamic parameters for micelle formation of the present ILs were estimated using the values of cmc and beta as a function of temperature. The contribution of entropy term to the micelle formation is superior to that of enthalpy term below about 30 degrees C, and it becomes opposite at higher temperature. This coincides with the picture drawn for the micelle formation of conventional ionic surfactants.

  18. Photoisomerization dynamics of 3,3'-diethyloxadicarbocyanine iodide in ionic liquids: Breakdown of hydrodynamic Kramers model

    NASA Astrophysics Data System (ADS)

    Gangamallaiah, V.; Dutt, G. B.

    2011-11-01

    Photoisomerization dynamics of 3,3'-diethyloxadicarbocyanine iodide (DODCI) has been examined in a series of 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides by measuring its fluorescence lifetimes and quantum yields. This study has essentially been undertaken to find out whether the process of photoisomerization of DODCI in ionic liquids is different compared to that observed in conventional solvents such as alcohols. Activation energy of the reaction has been attained with the aid of isoviscosity plots and was found to be 22 ± 3 kJ mol-1, which is a factor of two higher compared to that obtained in alcohols. The significantly higher activation energy obtained in bis(trifluoromethylsulfonyl)imides compared to alcohols is probably due to the highly ordered nature of the ionic liquids, which hinders the twisting process. Kramers theory has been applied to understand the reduced isomerization rate constants in terms of solvent friction. As in case of alcohols, the isomerization data could not be explained by the Kramers model. However, a power law relation, which is a phenomenological functional form, could mimic the observed trend.

  19. Phase behaviour, interactions, and structural studies of (amines+ionic liquids) binary mixtures.

    PubMed

    Jacquemin, Johan; Bendová, Magdalena; Sedláková, Zuzana; Blesic, Marijana; Holbrey, John D; Mullan, Claire L; Youngs, Tristan G A; Pison, Laure; Wagner, Zdeněk; Aim, Karel; Costa Gomes, Margarida F; Hardacre, Christopher

    2012-05-14

    We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, [C(n)mim] [NTf(2)] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C(2)mim] [NTf(2)]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C(2)mim][NTf(2)]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents.

  20. Inelastic neutron scattering study on boson peaks of imidazolium-based ionic liquids

    SciTech Connect

    Kofu, Maiko; Inamura, Yasuhiro; Podlesnyak, Andrey A.; Ehlers, Georg; Yamamuro, Osamu; Moriya, Yosuke

    2015-07-26

    Low energy excitations of 1-alkyl-3-methylimidazolium ionic liquids (ILs) have been investigated by means of neutron spectroscopy. In the spectra of inelastic scattering, a broad excitation peak referred to as a “boson peak” appeared at 1–3 meV in all of the ILs measured. The intensity of the boson peak was enhanced at the Q positions corresponding to the diffraction peaks, reflecting the in-phase vibrational nature of the boson peak. Furthermore the boson peak energy (EBP) was insensitive to the length of the alkyl-chain but changed depending on the radius of the anion. From the correlation among EBP, the anion radius, and the glass transition temperature Tg, we conclude that both EBP and Tg in ILs are predominantly governed by the inter-ionic Coulomb interaction which is less influenced by the alkyl-chain length. Furthermore, we also found that the EBP is proportional to the inverse square root of the molecular weight as observed in molecular glasses.

  1. Inelastic neutron scattering study on boson peaks of imidazolium-based ionic liquids

    DOE PAGES

    Kofu, Maiko; Inamura, Yasuhiro; Podlesnyak, Andrey A.; ...

    2015-07-26

    Low energy excitations of 1-alkyl-3-methylimidazolium ionic liquids (ILs) have been investigated by means of neutron spectroscopy. In the spectra of inelastic scattering, a broad excitation peak referred to as a “boson peak” appeared at 1–3 meV in all of the ILs measured. The intensity of the boson peak was enhanced at the Q positions corresponding to the diffraction peaks, reflecting the in-phase vibrational nature of the boson peak. Furthermore the boson peak energy (EBP) was insensitive to the length of the alkyl-chain but changed depending on the radius of the anion. From the correlation among EBP, the anion radius, andmore » the glass transition temperature Tg, we conclude that both EBP and Tg in ILs are predominantly governed by the inter-ionic Coulomb interaction which is less influenced by the alkyl-chain length. Furthermore, we also found that the EBP is proportional to the inverse square root of the molecular weight as observed in molecular glasses.« less

  2. Effects of polarizability on the structural and thermodynamics properties of [Cnmim][Gly] ionic liquids (n = 1-4) using EEM/MM molecular dynamic simulations

    NASA Astrophysics Data System (ADS)

    Wu, Yang; Hu, Na; Yue, Lili; Wei, Lihong; Guan, Wei

    2015-02-01

    An extended electronegativity equalization method/molecular mechanics (EEM/MM) model for ionic liquids is used to investigate the structures and properties of 1-alkyl-3-methylimidazolium glycine ionic liquids [Cnmim][Gly] (n = 1-4) with alkyl substituents of different lengths. The EEM/MM model describes the electrostatic interactions of atoms and their changes in different ambient environments. This property is the most outstanding characteristic of the model. EEM parameters (i.e., valence electronegativities and valence hardness parameters) are calibrated using linear regression and least-squares methods, which can accurately predict the gas-phase properties of [Cnmim]+, [Gly]-, and [Cnmim][Gly] ion pairs. We utilize the EEM/MM force field to systematically investigate the effects of polarizability on the accuracy of [Cnmim][Gly] properties predicted through the molecular dynamic simulations. EEM/MM explicitly describes the atom-based polarizability of [Cnmim][Gly]; thus, the densities, enthalpies of vaporization, self-diffusion coefficients, and conductivities of the [Cnmim][Gly] are consistent with the experimental values. The calculated radial distribution functions provide a mechanistic understanding of the effects of polarizability on ionic aggregations in amino acid ionic liquids. The effects of alkyl chain length on the diffusion coefficient and conductivity are also discussed.

  3. Catalytic conversion of carbohydrates into 5-hydroxymethylfurfural by germanium(IV) chloride in ionic liquids.

    PubMed

    Zhang, Zehui; Wang, Qian; Xie, Haibo; Liu, Wujun; Zhao, Zongbao Kent

    2011-01-17

    Direct conversion of carbohydrates into 5-hydroxymethylfurfural (HMF) catalyzed by germanium(IV) chloride in ionic liquids has been investigated in search of an efficient and environmentally friendly process. Monosaccharides D-fructose and D-glucose, disaccharides sucrose and maltose, and even the polysaccharide cellulose were successfully converted into HMF with good yields under mild conditions (yield up to 92 % in 5 min in the case of fructose). The structure of ionic liquids, catalyst loading, reaction temperature and water content had noticeable effects on this catalytic system. Addition of 5 Å molecular sieves during the dehydration of glucose resulted in an increase in HMF yield from 38.4 % to 48.4 %. A mechanism for glucose conversion to HMF catalyzed by germanium(IV) chloride was proposed according to ¹³C NMR spectra obtained in situ under different conditions using D-glucose-2-¹³C as the substrate.

  4. Doubly ionic hydrogen bond interactions within the choline chloride-urea deep eutectic solvent.

    PubMed

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

    2016-07-21

    Deep eutectic solvents (DESs) are exemplars of systems with the ability to form neutral, ionic and doubly ionic H-bonds. Herein, the pairwise interactions of the constituent components of the choline chloride-urea DES are examined. Evidence is found for a tripodal CHCl doubly ionic H-bond motif. Moreover it is found that the covalency of doubly ionic H-bonds can be greater than, or comparable with, neutral and ionic examples. In contrast to many traditional solvents, an "alphabet soup" of many different types of H-bond (OHO[double bond, length as m-dash]C, NHO[double bond, length as m-dash]C, OHCl, NHCl, OHNH, CHCl, CHO[double bond, length as m-dash]C, NHOH and NHNH) can form. These H-bonds exhibit substantial flexibility in terms of number and strength. It is anticipated that H-bonding will have a significant impact on the entropy of the system and thus could play an important role in the formation of the eutectic. The 2 : 1 urea : choline-chloride eutectic point of this DES is often associated with the formation of a [Cl(urea)2](-) complexed anion. However, urea is found to form a H-bonded urea[choline](+) complexed cation that is energetically competitive with [Cl(urea)2](-). The negative charge on [Cl(urea)2](-) is found to remain localised on the chloride, moreover, the urea[choline](+) complexed cation forms the strongest H-bond studied here. Thus, there is potential to consider a urea[choline](+)·urea[Cl](-) interaction.

  5. Speciation of copper(II) complexes in an ionic liquid based on choline chloride and in choline chloride/water mixtures.

    PubMed

    De Vreese, Peter; Brooks, Neil R; Van Hecke, Kristof; Van Meervelt, Luc; Matthijs, Edward; Binnemans, Koen; Van Deun, Rik

    2012-05-07

    A deep-eutectic solvent with the properties of an ionic liquid is formed when choline chloride is mixed with copper(II) chloride dihydrate in a 1:2 molar ratio. EXAFS and UV-vis-near-IR optical absorption spectroscopy have been used to compare the coordination sphere of the cupric ion in this ionic liquid with that of the cupric ion in solutions of 0.1 M of CuCl(2)·2H(2)O in solvents with varying molar ratios of choline chloride and water. The EXAFS data show that species with three chloride ions and one water molecule coordinated to the cupric ion as well as species with two chloride molecules and two water molecules coordinated to the cupric ion are present in the ionic liquid. On the other hand, a fully hydrated copper(II) ion is formed in an aqueous solution free of choline chloride, and the tetrachlorocuprate(II) complex forms in aqueous choline chloride solutions with more than 50 wt % of choline chloride. In solutions with between 0 and 50 wt % of choline chloride, mixed chloro-aquo complexes occur. Upon standing at room temperature, crystals of CuCl(2)·2H(2)O and of Cu(choline)Cl(3) formed in the ionic liquid. Cu(choline)Cl(3) is the first example of a choline cation coordinating to a transition-metal ion. Crystals of [choline](3)[CuCl(4)][Cl] and of [choline](4)[Cu(4)Cl(10)O] were also synthesized from molecular or ionic liquid solvents, and their crystal structures were determined.

  6. Electrochemical Polishing Applications and EIS of a Novel Choline Chloride-Based Ionic Liquid

    SciTech Connect

    Wixtrom, Alex I.; Buhler, Jessica E.; Reece, Charles E.; Abdel-Fattah, Tarek M.

    2013-06-01

    Minimal surface roughness is a critical feature for high-field superconducting radio frequency (SRF) cavities used to engineer particle accelerators. Current methods for polishing Niobium cavities typically utilize solutions containing a mixture of concentrated sulfuric and hydrofluoric acid. Polishing processes such as these are effective, yet there are many hazards and costs associated with the use (and safe disposal) of the concentrated acid solutions. An alternative method for electrochemical polishing of the cavities was explored using a novel ionic liquid solution containing choline chloride. Potentiostatic electrochemical impedance spectroscopy (EIS) was used to analyze the ionic polishing solution. Final surface roughness of the Nb was found to be comparable to that of the acid-polishing method, as assessed by atomic force microscopy (AFM). This indicates that ionic liquid-based electrochemical polishing of Nb is a viable replacement for acid-based methods for preparation of SRF cavities.

  7. Adsorption-Driven Catalytic and Photocatalytic Activity of Phase Tuned In2S3 Nanocrystals Synthesized via Ionic Liquids.

    PubMed

    Sharma, Rahul Kumar; Chouryal, Yogendra Nath; Chaudhari, Sushmita; Saravanakumar, Jeganathan; Dey, Suhash Ranjan; Ghosh, Pushpal

    2017-03-14

    Phase tuned quantum confined In2S3 nanocrystals are accessible solvothermally using task-specific ionic liquids (ILs) as structure directing agents. Selective tuning of size, shape, morphology and, most importantly, crystal phase of In2S3 is achieved by changing the alkyl side chain length, the H-bonding and aromatic -stacking ability of the 1-alkyl-3- methylimidazolium bromide ILs, [Cnmim]Br (n=2,4,6,8 and 10). It is observed that crystallite size is significantly less when ILs are used compared to the synthesis without ILs keeping the other reaction parameters same. At 150oC, when no IL is used, pure tetragonal form of -In2S3 appears however in presence of [Cnmim]Br [n=2,4], at the same reaction condition, a pure cubic phase crystallizes. However in case of methylimidazolium bromides with longer pendant alkyl chains such as hexyl (C6), octyl (C8) or decyl (C10), nanoparticles of the tetragonal polymorph form. Likewise, judicious choice of reaction temperature and precursors has a profound effect to obtain phase pure and morphology controlled nanocrystals. Furthermore, the adsorption driven catalytic and photocatalytic activity of as-prepared nanosized indium sulphide is confirmed by studying the degradation of crystal violet (CV) dye in presence of dark and visible light. Maximum 94.8 % catalytic efficiency is obtained for the In2S3 nanocrystals using tetramethylammonium bromide (TMAB) ionic liquid.

  8. New insight into phase equilibria involving imidazolium bistriflamide ionic liquids and their mixtures with alcohols and water.

    PubMed

    Pereiro, Ana B; Deive, Francisco J; Rodríguez, Ana; Ruivo, Diana; Canongia Lopes, José N; Esperança, José M S S; Rebelo, Luís P N

    2010-07-15

    The fluid phase equilibria (liquid-liquid demixing behavior (LLE)) of mixtures of ionic liquids of the 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide family, [C(n)mim][NTf(2)], with 2-methylpropanol or n-octanol were investigated. Binary mixtures of [C(4)mim][NTf(2)] + alcohol and [C(6)mim][NTf(2)] + alcohol were compared to pseudobinary mixtures of (0.5[C(2)mim] + 0.5[C(6)mim])[NTf(2)] + alcohol and (0.5[C(2)mim] + 0.5[C(10)mim])[NTf(2)] + alcohol, respectively. Additionally, the presence of water in the studied alcohols or as a third component in the system was analyzed in order to check any possible deviation from the LLE observed for the anhydrous systems. Systems containing small fractions of ionic liquid show similar LLE between the corresponding binary and pseudobinary systems; however, large differences are observed in the presence of water when the IL mass fraction is increased.

  9. Application of ionic liquids based microwave-assisted simultaneous extraction of carnosic acid, rosmarinic acid and essential oil from Rosmarinus officinalis.

    PubMed

    Liu, Tingting; Sui, Xiaoyu; Zhang, Rongrui; Yang, Lei; Zu, Yuangang; Zhang, Lin; Zhang, Ying; Zhang, Zhonghua

    2011-11-25

    An ionic liquid based microwave-assisted simultaneous extraction and distillation (ILMSED) method has been developed for the effective extraction of carnosic acid (CA), rosmarinic acid (RA) and essential oil (EO) from Rosmarinus officinalis. A series of 1-alkyl-3-methylimidazolium ionic liquids differing in composition of anion and cation were evaluated for extraction yield in this work. The results obtained indicated that the anions and cations of ionic liquids had influences on the extraction of CA and RA, 1.0M 1-octyl-3-methylimidazolium bromide ([C8mim]Br) solution was selected as solvent. In addition, the ILMSED procedures for the three target ingredients were optimized and compared with other conventional extraction techniques. ILMSED gave the best result due to the highest extraction yield within the shortest extraction time for CA and RA. The novel process developed offered advantages in term of yield and selectivity of EO and shorter isolation time (20 min in comparison of 4h of hydrodistillation), and provides a more valuable EO (with high amount of oxygenated compounds). The microstructures and chemical structures of rosemary samples before and after extraction were also investigated. Moreover, the proposed method was validated by the stability, repeatability and recovery experiments. The results indicated that the developed ILMSED method provided a good alternative for the both extraction of non-volatile compounds (CA and RA) and EO from rosemary as well as other herbs.

  10. An XAFS Study of Nickel Chloride in the Ionic Liquid 1-ethyl-3-methyl Imidazolium Chloride/ Aluminum Chloride

    SciTech Connect

    Roeper, D.; Cheek, G; Pandya, K; O'Gragy, W

    2008-01-01

    The electrodeposition of metals from aqueous solutions has a successful history for many metals. However, some metals cannot be deposited from aqueous solutions because their potentials fall outside of the window of stability for water. Using ionic liquids for the electrodeposition of metals can avoid some of these difficulties because they have a larger region of stability than water. The electrochemical window can be tailored to fit a particular application by choosing appropriate anions and cations to form the melt. There is also the possibility to deposit pure metals without the oxides and hydrides that can form in aqueous solutions. The study of the structure of metal salts in ionic liquids is an important step towards achieving these goals.

  11. On the Extraction of Aromatic Compounds from Hydrocarbons by Imidazolium Ionic Liquids

    PubMed Central

    Cassol, Cláudia C.; Umpierre, Alexandre P.; Ebeling, Günter; Ferrera, Bauer; Chiaro, Sandra S. X.; Dupont, Jairton

    2007-01-01

    The liquid-liquid equilibrium for the ternary system formed by n-octane and aromatic (alkylbenzenes) and heteroaromatic compounds (nitrogen and sulfur containing heterocyles) and 1-alkyl-3-methylimidazolium ionic liquids (ILs) associated with various anions has been investigated. The selectivity on the extraction of a specific aromatic compound is influenced by anion volume, hydrogen bond strength between the anion and the imidazolium cation and the length of the 1-methyl-3-alkylimidazolium alkyl side chain. The interaction of alkylbenzenes and sulfur heterocyles with the IL is preferentially through CH-π hydrogen bonds and the quantity of these aromatics in the IL phase decreases with the increase of the steric hindrance imposed by the substituents on the aromatic nucleus. In the case of nitrogen heterocycles the interaction occurs preferentially through N(heteroaromatic)-H(imidazolium) hydrogen bonds and the extraction process is largely controlled by the nitrogen heterocycle pKa. Competitive extraction experiments suggest that benzene, pyridine and dibenzothiophene do not compete for the same hydrogen bond sites of the IL.

  12. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

    SciTech Connect

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulk IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.

  13. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

    DOE PAGES

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulkmore » IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.« less

  14. Vibrational dephasing in ionic liquids as a signature of hydrogen bonding.

    PubMed

    Chatzipapadopoulos, Susana; Zentel, Tobias; Ludwig, Ralf; Lütgens, Matthias; Lochbrunner, Stefan; Kühn, Oliver

    2015-08-24

    Understanding both structure and dynamics is crucial for producing tailor-made ionic liquids (ILs). We studied the vibrational and structural dynamics of medium versus weakly hydrogen-bonded CH groups of the imidazolium ring in ILs of the type [1-alkyl-3-methylimidazolium][bis(trifluoromethanesulfonyl)imide] ([Cn mim][NTf2 ]), with n=1, 2, and 8, by time-resolved coherent anti-Stokes Raman scattering (CARS) and quantum-classical hybrid (QCH) simulations. From the time series of the CARS spectra, dephasing times were extracted by modeling the full nonlinear response. From the QCH calculations, pure dephasing times were obtained by analyzing the distribution of transition frequencies. Experiments and calculations reveal larger dephasing rates for the vibrational stretching modes of C(2)H compared with the more weakly hydrogen-bonded C(4,5)H. This finding can be understood in terms of different H-bonding motifs and the fast interconversion between them. Differences in population relaxation rates are attributed to Fermi resonance interactions.

  15. The use of ionic liquids based on choline chloride for metal deposition: A green alternative?

    PubMed

    Haerens, Kurt; Matthijs, Edward; Chmielarz, Andrzej; Van der Bruggen, Bart

    2009-08-01

    Ionic liquids are studied intensively for different applications. They tend to be denoted as "green solvents", largely because of their low vapour pressure. In recent years toxicity and biotoxicity of ionic liquids have also been investigated, which proved that not all of these are "green". In this paper the use of ionic liquids based on choline chloride and ethylene glycol in electrochemistry is discussed in the context of their use as green solvents. Due to their low toxicity and ready biodegradability, these deep eutectic solvents are promising for the electrodeposition of metals. The influence of the use of these liquids as metal deposition baths on the waste water is investigated. Drag-out was found to be the most influencing parameter on the environmental impact of the process, as it is three times higher compared to classical solutions due to the higher viscosity of the ionic liquid. There are no major changes needed in the rinsing configuration of classic electroplating plants, and ion exchange to remove the metal out of the waste water was not hindered by the presence of the ionic liquid. The formation of by-products during the deposition of metals has to be further investigated and evaluated in consideration of the environmental impact.

  16. Effects of polarizability on the structural and thermodynamics properties of [C{sub n}mim][Gly] ionic liquids (n = 1–4) using EEM/MM molecular dynamic simulations

    SciTech Connect

    Wu, Yang; Hu, Na; Yue, Lili; Wei, Lihong; Guan, Wei

    2015-02-14

    An extended electronegativity equalization method/molecular mechanics (EEM/MM) model for ionic liquids is used to investigate the structures and properties of 1-alkyl-3-methylimidazolium glycine ionic liquids [C{sub n}mim][Gly] (n = 1–4) with alkyl substituents of different lengths. The EEM/MM model describes the electrostatic interactions of atoms and their changes in different ambient environments. This property is the most outstanding characteristic of the model. EEM parameters (i.e., valence electronegativities and valence hardness parameters) are calibrated using linear regression and least-squares methods, which can accurately predict the gas-phase properties of [C{sub n}mim]{sup +}, [Gly]{sup −}, and [C{sub n}mim][Gly] ion pairs. We utilize the EEM/MM force field to systematically investigate the effects of polarizability on the accuracy of [C{sub n}mim][Gly] properties predicted through the molecular dynamic simulations. EEM/MM explicitly describes the atom-based polarizability of [C{sub n}mim][Gly]; thus, the densities, enthalpies of vaporization, self-diffusion coefficients, and conductivities of the [C{sub n}mim][Gly] are consistent with the experimental values. The calculated radial distribution functions provide a mechanistic understanding of the effects of polarizability on ionic aggregations in amino acid ionic liquids. The effects of alkyl chain length on the diffusion coefficient and conductivity are also discussed.

  17. Ionic Liquid Character of Zinc Chloride Hydrates Define Solvent Characteristics that Afford the Solubility of Cellulose.

    PubMed

    Sen, Sanghamitra; Losey, Bradley P; Gordon, Elijah E; Argyropoulos, Dimitris S; Martin, James D

    2016-02-18

    The recently described ionic liquid structure of the three equivalent hydrate of zinc chloride (ZnCl2·R H2O, R = 3, existing as [Zn(OH2)6][ZnCl4]) explains the solubility of cellulose in this medium. Only hydrate compositions in the narrow range of 3 - x < R < 3 + x with x ≈ 1 dissolve cellulose. Once dissolved, the cellulose remains in solution up to the R = 9 hydrate. Neutron diffraction and differential pair distribution function analysis of cellulose and model compound solutions (1 wt % cellulose in the R = 3 hydrate and 1 wt % ethanol in the R = 3 hydrate and the ZnCl2·3 ethanol liquid) coupled with detailed solubility measurements suggest that cellulose solubility occurs via coordination of the primary OH to the hydrated zinc cation with ring hydroxyls forming part of a second coordination shell around the cation of the ionic liquid.

  18. Synthesis and characterization of 1-(hydroxyethyl)-3-methylimidazolium sulfate and chloride ionic liquids

    NASA Astrophysics Data System (ADS)

    Chaker, Yassine; Ilikti, Hocine; Debdab, Mansour; Moumene, Taqiyeddine; Belarbi, El Habib; Wadouachi, Anne; Abbas, Ouissam; Khelifa, Brahim; Bresson, Serge

    2016-06-01

    We have used the imidazole as a starting compound for the preparation of a new ionic liquid 1-(hydroxyethyl)-3-methylimidazolium sulfate, with a yield of 98% in the two-steps synthesis. This new ionic liquid at room temperature exhibits a greater chemical activity. For the first step, we change the previous synthetic route using 2-chloroethanol as starting material, and with 1-methylimidazole to prepare the 1-(hydroxyethyl)-3-methylimidazolium chloride [EtOHMIM+][Cl-]. In the second stage, we have exchanged the anion Cl- with HSO4-. The ionic liquid shows reasonably high conductivity and thermal stability up to 340 °C. Our samples are characterized by 1H NMR, 13C NMR and FT-IR. The physical characteristics of the ionic liquid, such as solvation capacity were studied using a thermo-gravimetric Analyzer (NETZSCH DSC 204 F1) in the range of 40-400 °C. The results show that the ILs may be used as polyelectrolyte for electrochemical applications.

  19. Electrochemical studies of hydrogen chloride gas in several room temperature ionic liquids: mechanism and sensing.

    PubMed

    Murugappan, Krishnan; Silvester, Debbie S

    2016-01-28

    The electrochemical behaviour of highly toxic hydrogen chloride (HCl) gas has been investigated in six room temperature ionic liquids (RTILs) containing imidazolium/pyrrolidinium cations and range of anions on a Pt microelectrode using cyclic voltammetry (CV). HCl gas exists in a dissociated form of H(+) and [HCl2](-) in RTILs. A peak corresponding to the oxidation of [HCl2](-) was observed, resulting in the formation of Cl2 and H(+). These species were reversibly reduced to H2 and Cl(-), respectively, on the cathodic CV scan. The H(+) reduction peak is also present initially when scanned only in the cathodic direction. In the RTILs with a tetrafluoroborate or hexafluorophosphate anion, CVs indicated a reaction of the RTIL with the analyte/electrogenerated products, suggesting that these RTILs might not be suitable solvents for the detection of HCl gas. This was supported by NMR spectroscopy experiments, which showed that the hexafluorophosphate ionic liquid underwent structural changes after HCl gas electrochemical experiments. The analytical utility was then studied in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][NTf2]) by utilising both peaks (oxidation of [HCl2](-) and reduction of protons) and linear calibration graphs for current vs. concentration for the two processes were obtained. The reactive behaviour of some ionic liquids clearly shows that the choice of the ionic liquid is very important if employing RTILs as solvents for HCl gas detection.

  20. Comparative Study of the Intermolecular Dynamics and Physical Properties of Branched and Linear Alkyl Chain Imidazolium Ionic Liquids

    NASA Astrophysics Data System (ADS)

    Xue, Lianjie; Bardak, Fehmi; Tamas, George; Gurung, Eshan; Quitevis, Edward; Koh, Yung; Simon, Sindee

    2014-03-01

    The optical Kerr effect (OKE) spectra, densities, viscosities, and transition temperatures of 1-alkyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ionic liquids (ILs) with branched alkyl chains, -Cn-3CH(CH3)2 (branched ILs), were measured and compared to those with linear alkyl chains, -Cn-1CH3 (linear ILs), for n = 3, 4, 5, 6 and 7. The results show that a branched IL has a higher viscosity and transition temperature Tg than the corresponding linear IL with the same n, whereas the densities of each branched/linear IL pair are the same within experimental error. For short alkyl chains (n =3 and 4) the intermolecular part of the OKE spectrum of the branched ILs tends to be narrower and lower in frequency than that of the linear ILs. This suggests that branching softens the intermolecular modes. For long alkyl chains (n =5-7), the difference between the intermolecular spectrum of the branched IL and that of the linear IL with the same n decreases, which indicates that the branching effect becomes smaller when the alkyl chains get longer. This work was supported by NSF grant CHE-1153077.

  1. A comparison of ionic liquids to molecular organic solvents as additives for chiral separations in micellar electrokinetic chromatography.

    PubMed

    Mwongela, Simon M; Siminialayi, Noreen; Fletcher, Kristin A; Warner, Isiah M

    2007-06-01

    In this study, we report the effects of adding ionic liquids (ILs), as compared to adding conventional molecular organic solvents (MOSs), to aqueous buffer solutions containing molecular micelles in the separation of chiral analyte mixtures in micellar EKC (MEKC). The molecular micelle used in this study was polysodium oleyl-L-leucylvalinate (poly-L-SOLV). The ILs were 1-alkyl-3-methylimidazolium tetrafluoroborate, where the alkyl group was ethyl, butyl, hexyl, or octyl. These ILs were chosen due to their hydrophobicity, good solvating, and electrolyte properties. Thus, it was expected that these ILs would have favorable interactions with chiral analytes and not adversely affect the background current. Common CE buffers, mixed with a molecular micelle, and an IL or a MOS, were used for these chiral separations. The buffers containing an IL in the concentration range of 0.02-0.1 v/v were found to support a reasonable current when an electric field strength of 500 V/cm was applied across the capillary. However, a current break down was observed for the buffers containing more than 60% v/v MOS on application of the above-mentioned electric field. The chiral resolution and selectivity of the analytes were dependent on the concentration and type of IL or MOS used.

  2. Effect of water presence on choline chloride-2urea ionic liquid and coating platings from the hydrated ionic liquid

    PubMed Central

    Du, Cuiling; Zhao, Binyuan; Chen, Xiao-Bo; Birbilis, Nick; Yang, Haiyan

    2016-01-01

    In the present study, hygroscopicity of the choline chloride-urea (ChCl-2Urea) ionic liquid (IL) was confirmed through Karl-Fisher titration examination, indicating that the water content in the hydrated ChCl-2Urea IL was exposure-time dependent and could be tailored by simple heating treatment. The impact of the absorbed water on the properties of ChCl-2Urea IL, including viscosity, electrical conductivity, electrochemical window and chemical structure was investigated. The results show that water was able to dramatically reduce the viscosity and improve the conductivity, however, a broad electrochemical window could be persisted when the water content was below ~6 wt.%. These characteristics were beneficial for producing dense and compact coatings. Nickel (Ni) coatings plating from hydrated ChCl-2Urea IL, which was selected as an example to show the effect of water on the electroplating, displayed that a compact and corrosion-resistant Ni coating was plated from ChCl-2Urea IL containing 6 wt.% water doped with 400 mg/L NA at a moderate temperature. As verified by FTIR analysis, the intrinsic reason could be ascribed that water was likely linked with urea through strong hydrogen bond so that the water decomposition was suppressed during plating. Present study may provide a reference to prepare some similar water-stable ILs for plating. PMID:27381851

  3. Effect of water presence on choline chloride-2urea ionic liquid and coating platings from the hydrated ionic liquid.

    PubMed

    Du, Cuiling; Zhao, Binyuan; Chen, Xiao-Bo; Birbilis, Nick; Yang, Haiyan

    2016-07-06

    In the present study, hygroscopicity of the choline chloride-urea (ChCl-2Urea) ionic liquid (IL) was confirmed through Karl-Fisher titration examination, indicating that the water content in the hydrated ChCl-2Urea IL was exposure-time dependent and could be tailored by simple heating treatment. The impact of the absorbed water on the properties of ChCl-2Urea IL, including viscosity, electrical conductivity, electrochemical window and chemical structure was investigated. The results show that water was able to dramatically reduce the viscosity and improve the conductivity, however, a broad electrochemical window could be persisted when the water content was below ~6 wt.%. These characteristics were beneficial for producing dense and compact coatings. Nickel (Ni) coatings plating from hydrated ChCl-2Urea IL, which was selected as an example to show the effect of water on the electroplating, displayed that a compact and corrosion-resistant Ni coating was plated from ChCl-2Urea IL containing 6 wt.% water doped with 400 mg/L NA at a moderate temperature. As verified by FTIR analysis, the intrinsic reason could be ascribed that water was likely linked with urea through strong hydrogen bond so that the water decomposition was suppressed during plating. Present study may provide a reference to prepare some similar water-stable ILs for plating.

  4. Effect of water presence on choline chloride-2urea ionic liquid and coating platings from the hydrated ionic liquid

    NASA Astrophysics Data System (ADS)

    Du, Cuiling; Zhao, Binyuan; Chen, Xiao-Bo; Birbilis, Nick; Yang, Haiyan

    2016-07-01

    In the present study, hygroscopicity of the choline chloride-urea (ChCl-2Urea) ionic liquid (IL) was confirmed through Karl-Fisher titration examination, indicating that the water content in the hydrated ChCl-2Urea IL was exposure-time dependent and could be tailored by simple heating treatment. The impact of the absorbed water on the properties of ChCl-2Urea IL, including viscosity, electrical conductivity, electrochemical window and chemical structure was investigated. The results show that water was able to dramatically reduce the viscosity and improve the conductivity, however, a broad electrochemical window could be persisted when the water content was below ~6 wt.%. These characteristics were beneficial for producing dense and compact coatings. Nickel (Ni) coatings plating from hydrated ChCl-2Urea IL, which was selected as an example to show the effect of water on the electroplating, displayed that a compact and corrosion-resistant Ni coating was plated from ChCl-2Urea IL containing 6 wt.% water doped with 400 mg/L NA at a moderate temperature. As verified by FTIR analysis, the intrinsic reason could be ascribed that water was likely linked with urea through strong hydrogen bond so that the water decomposition was suppressed during plating. Present study may provide a reference to prepare some similar water-stable ILs for plating.

  5. Measurement of Ultraslow Rotational Dynamics of Probes in Imidazolium-Based Ionic Liquids Near and Below the Glass Transition Temperature: Studying the Role of Structural Heterogeneity on Dynamic Heterogeneity

    NASA Astrophysics Data System (ADS)

    Mendoza, Kayla; Udugama-Arachchilage, Rakhitha; Bardak, Fehmi; Tamas, George; Quitevis, Edward

    2014-03-01

    The dynamics of imidazolium-based ionic liquids were probed in the supercooled liquid regime by observing the fluorescence recovery after photobleaching of directionally oriented tetracene molecules. Spatial heterogeneity arises in ionic liquids containing a 1-alkyl-3-methylimidazolium cation for alkyl chain lengths equal to and exceeding four carbons; aggregation of the alkyl tails leads to the formation of non-polar domains, which increase in size with increasing alkyl chain length. Near the glass transition, supercooled liquids relax non-exponentially, and this non-exponentiality has been attributed to dynamic heterogeneity. The purpose of this study was to observe the role of structural heterogeneity on dynamic heterogeneity. The rotational dynamics of tetracene in 1-butyl-3-methylimidazolium bistriflate, 1, 3-dibutylimidazolium bistriflate, and 1-heptyl-3-methylimidazlium bistriflate were observed in the vicinity of their glass transition temperatures. From the weak dependence of the degree of non-exponentiality exhibited by the relaxation function on alky chain length and cation symmetry, it was concluded that structural heterogeneity does not play a strong role in determining dynamic heterogeneity. This work was supported by NSF grant CHE-1153077.

  6. The acute toxic effects of imidazolium-based ionic liquids with different alkyl-chain lengths and anions on zebrafish (Danio rerio).

    PubMed

    Zhang, Cheng; Zhu, Lusheng; Wang, Jinhua; Wang, Jun; Zhou, Tongtong; Xu, Yaqi; Cheng, Chao

    2017-06-01

    With the increasing applications of ionic liquids (ILs), the toxicity of ILs has drawn increasing attention in recent years, especially the influences of different anions and alkyl-chain lengths on the acute toxicity to aquatic organisms. We performed a study on the acute toxicity of 1-alkyl-3-methylimidazolium nitrate ([Cnmim]NO3 (n=2, 4, 6, 8, 10, 12)), 1-hexyl-3-methylimidazolium ILs ([C6mim]R (R=Cl(-), Br(-), BF4(-), PF6(-))) to zebrafish (Danio rerio). We also evaluated the sensibility of the investigated animals and the stability of ILs in water via high performance liquid chromatography (HPLC, Agilent 1260, Agilent Technologies Inc., USA) to prove the reliability of the present study. The results illustrated that the test zebrafish (Danio rerio) were sensitive to the reference toxicant and that the investigated ILs in water were stable. The 50% lethal concentration (LC50) was used to represent the acute toxicity to zebrafish (Danio rerio). The present study showed that the highest toxic IL is [C12mim]NO3 and the lowest toxic IL is [C2mim]NO3 on Danio rerio. The LC50s for ILs with different anions had similar values. Accordingly, we believe that ILs with different alkyl-chain lengths cause greater effects than other anions on acute toxicity to aquatic organisms. Furthermore, the present study can also provide scientific methods for future studies to select and assess ILs.

  7. Improving the zT value of thermoelectrics by nanostructuring: tuning the nanoparticle morphology of Sb2Te3 by using ionic liquids.

    PubMed

    Schaumann, Julian; Loor, Manuel; Ünal, Derya; Mudring, Anja; Heimann, Stefan; Hagemann, Ulrich; Schulz, Stephan; Maculewicz, Franziska; Schierning, Gabi

    2017-01-17

    A systematic study on the microwave-assisted thermolysis of the single source precursor (Et2Sb)2Te (1) in different asymmetric 1-alkyl-3-methylimidazolium- and symmetric 1,3-dialkylimidazolium-based ionic liquids (ILs) reveals the distinctive role of both the anion and the cation in tuning the morphology and microstructure of the resulting Sb2Te3 nanoparticles as evidenced by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), and X-ray photoelectron spectroscopy (XPS). A comparison of the electrical and thermal conductivities as well as the Seebeck coefficient of the Sb2Te3 nanoparticles obtained from different ILs reveals the strong influence of the specific IL, from which C4mimI was identified as the best solvent, on the thermoelectric properties of as-prepared nanosized Sb2Te3. This work provides design guidelines for ILs, which allow the synthesis of nanostructured thermoelectrics with improved performances.

  8. Cathodic deposition of BiTe as thermoelectric films using choline chloride based ionic liquids

    NASA Astrophysics Data System (ADS)

    Golgovici, Florentina; Visan, Teodor

    2012-06-01

    This paper reports the electrodeposition of BiTe by potential control electrolysis using a ionic liquid based on choline chloride and malonic acid mixture (1:1 moles) in the 25-60°C temperature range. From cyclic voltammetry and impedance experiments carried out in order to characterize the cathodic process on Pt electrode it was found that the deposition of BiTe from electrolytes occurs on a Te-covered Pt substrate at less negative potentials than for deposition of singular Bi or Te films. Nyquist and Bode impedance spectra showed differences in Pt behavior due to its polarization at various cathodic potentials. The morphology and chemical composition of BiTe films deposited on Cu were determined by AFM, SEM and TEM microscopy.

  9. Pressure-induced structural transitions of a room temperature ionic liquid—1-ethyl-3-methylimidazolium chloride

    NASA Astrophysics Data System (ADS)

    Chen, Fengjiao; You, Tingting; Yuan, Ye; Pei, Cuiying; Ren, Xiangting; Huang, Yanwei; Yu, Zhenhai; Li, Xiaodong; Zheng, Haiyan; Pan, Yuexiao; Yang, Ke; Wang, Lin

    2017-03-01

    In this paper, structural evaluations of a room temperature ionic liquid, 1-ethyl-3-methylimidazolium chloride ([EMIM]Cl), were systematically investigated at high pressures. Our Raman spectra, infrared spectra, and synchrotron X-ray diffraction investigations show that crystalline [EMIM]Cl experienced structural instabilities at high pressures and underwent at least four successive structural transitions at around 5.8, 9.3, 15.8, and 19.1 GPa, respectively. Notably, the abrupt emergence of photoluminescence from the sample at around 19.3 GPa, originated from the pressure-induced polymerization of the [EMIM]+ cations, as confirmed by the mass spectrometry experiments. Our results also indicate that high pressure significantly affected the conformational equilibrium of the [EMIM]+ cations. The structural transitions are influenced by the ion stacking modes determined by the hydrogen bonds and possibly by some chemical reactions in addition to the cation conformational isomers.

  10. Hydrogen bonding in 1-butyl- and 1-ethyl-3-methylimidazolium chloride ionic liquids.

    PubMed

    Skarmoutsos, Ioannis; Dellis, Dimitris; Matthews, Richard P; Welton, Tom; Hunt, Patricia A

    2012-04-26

    A detailed investigation of hydrogen bonding in the pure ionic liquids [C4C1im]Cl and [C2C1im]Cl has been carried out using primarily molecular dynamics techniques. Analyses of the individual atom-atom pair radial distribution functions, and in particular those for C···Cl(-), have revealed that hydrogen bonding to the first methylene or methyl units of the substituent groups is important. Multiple geometric criteria for defining a hydrogen bond have been applied, and in particular the choice of the cutoff angle has been carefully examined. The interpretation of hydrogen bonding within these ionic liquids is highly angle dependent, and justification is provided for why it may be appropriate to employ a wider angle criteria than the 30° used for water or alcohol systems. The different types of hydrogen bond formed are characterized, and "top" conformations where the Cl anion resides above (or below) the imidazolium ring are investigated. The number of hydrogen bonds undertaken by each hydrogen atom (and the chloride anion) is quantified, and the propensity to form zero, one, or two hydrogen bonds is established. The effects of an increase in temperature on the static hydrogen bonding are also briefly examined.

  11. Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids.

    PubMed

    Sambasivarao, Somisetti V; Acevedo, Orlando

    2009-04-14

    OPLS-AA force field parameters have been developed and validated for use in the simulation of 68 unique combinations of room temperature ionic liquids featuring 1-alkyl-3-methylimidazolium [RMIM] (R = Me, Et, Bu, Hex, Oct), N-alkylpyridinium [RPyr], and choline cations, along with Cl(-), PF6(-), BF4(-), NO3(-), AlCl4(-), Al2Cl7(-), TfO(-), saccharinate, and acesulfamate anions. The new parameters were fit to conformational profiles from gas-phase ab initio calculations at the LMP2/cc-pVTZ(-f)//HF/6-31G(d) theory level and compared to experimental condensed-phase structural and thermodynamic data. Monte Carlo simulations of the ionic liquids gave relative deviations from experimental densities of ca. 1-3% at 25 °C for most combinations and also yielded close agreement over a temperature range of 5 to 90 °C. Predicted heats of vaporization compared well with available experimental data and estimates. Transferability of the new parameters to multiple alkyl side-chain lengths for [RMIM] and [RPyr] was determined to give excellent agreement with charges and torsion potentials developed specific to desired alkyl lengths in 35 separate ionic liquid simulations. As further validation of the newly developed parameters, the Kemp elimination reaction of benzisoxazole via piperidine was computed in 1-butyl-3-methylimidazolium hexafluorophosphate [BMIM][PF6] using mixed quantum and molecular mechanics (QM/MM) simulations and was found to give close agreement with the experimental free energy of activation.

  12. Polymorphous crystals from chlorozincate-choline chloride ionic liquids in different molar ratios

    NASA Astrophysics Data System (ADS)

    Liu, Yaodong; Wu, Guozhong; Qi, Mingying

    2005-08-01

    Polymorphous crystals of chlorozincate-choline chloride ionic liquid (IL) in different molar ratios were incubated at 5 °C and characterized by X-ray diffraction (XRD), differential scanning calorimeter (DSC) and optical microscope (OM). It is clearly shown that the properties of IL crystal change significantly with X(ZnCl 2) (mole fraction of ZnCl 2) over the range from 0.67 to 0.40. Crystal ( a) (m.p. 45 °C) is formed at X(ZnCl 2)=0.67, both crystal ( a) and crystal ( b) (m.p. 85 °C) are observed at X(ZnCl)=0.50. However, crystal ( c) (m.p. 27 °C) and non-coordinated choline chloride are observed at X(ZnCl 2)=0.40. Morphology of the IL crystal also changes greatly with the X(ZnCl 2). This investigation reveals that structures and properties of the IL anions vary with the X(ZnCl 2) and the molar ratio is a pivotal factor dominating the IL property.

  13. Probing the interplay between electrostatic and dispersion interactions in the solvation of nonpolar nonaromatic solute molecules in ionic liquids: An OKE spectroscopic study of CS2/[CnC1im][NTf2] mixtures (n = 1-4)

    NASA Astrophysics Data System (ADS)

    Xue, Lianjie; Tamas, George; Gurung, Eshan; Quitevis, Edward L.

    2014-04-01

    The intermolecular dynamics of dilute solutions of CS2 in 1-alkyl-3-methylimidazolium bis[(trifluoromethane)sulfonyl]amide ([CnC1im][NTf2] for n = 1-4) were studied at 295 K using femtosecond optical Kerr effect (OKE) spectroscopy. The OKE spectra of the CS2/ionic liquid (IL) mixtures were analyzed using an additivity model to obtain the CS2 contribution to the OKE spectrum from which information about the intermolecular modes of CS2 in these mixtures was gleaned. The intermolecular spectrum of CS2 in these mixtures is lower in frequency and narrower than that of neat CS2, as found previously for CS2 in [C5C1im][NTf2]. Moreover, a dependence of the spectra on alkyl chain length is observed that is attributed to the interplay between electrostatic and dispersion interactions. The surprising result in this study is the solubility of CS2 in [C1C1im][NTf2], which involves the interaction of a nonpolar nonaromatic molecular solute and only the charged groups of the IL. We propose that the solubility of CS2 in [C1C1im][NTf2] is determined by three favorable factors - (1) large polarizability of the solute molecule; (2) small size of the solute molecule; and (3) low cohesive energy in the high-charge density regions of the IL.

  14. Aqueous two-phase based on ionic liquid liquid-liquid microextraction for simultaneous determination of five synthetic food colourants in different food samples by high-performance liquid chromatography.

    PubMed

    Sha, Ou; Zhu, Xiashi; Feng, Yanli; Ma, Weixing

    2015-05-01

    A rapid and effective method of aqueous two-phase systems based on ionic liquid microextraction for the simultaneous determination of five synthetic food colourants (tartrazine, sunset yellow, amaranth, ponceau 4R and brilliant blue) in food samples was established. High-performance liquid chromatography coupled with an ultraviolet detector of variable wavelength was used for the determinations. 1-alkyl-3-methylimidazolium bromide was selected as the extraction reagent. The extraction efficiency of the five colourants in the proposed system is influenced by the types of salts, concentrations of salt and [CnMIM]Br, as well as the extracting time. Under the optimal conditions, the extraction efficiencies for these five colourants were above 95%. The phase behaviours of aqueous two-phase system and extraction mechanism were investigated by UV-vis spectroscopy. This method was applied to the analysis of the five colourants in real food samples with the detection limit of 0.051-0.074 ng/mL. Good spiked recoveries from 93.2% to 98.9% were obtained.

  15. Phosphonium-based ionic liquids as modifiers for biomedical grade poly(vinyl chloride).

    PubMed

    Dias, Ana M A; Marceneiro, Sofia; Braga, Mara E M; Coelho, Jorge F J; Ferreira, Abel G M; Simões, Pedro N; Veiga, Helena I M; Tomé, Liliana C; Marrucho, Isabel M; Esperança, José M S S; Matias, Ana A; Duarte, Catarina M M; Rebelo, Luís P N; de Sousa, Hermínio C

    2012-03-01

    This work reports and discusses the influence of four phosphonium-based ionic liquids (PhILs), namely trihexyl(tetradecyl) phosphonium dicyanamide, [P(6,6,6,14)][dca]; trihexyl(tetradecyl) phosphonium bis(trifluoromethylsulfonyl)imide, [P(6,6,6,14)][Tf(2)N]; tetrabutyl phosphonium bromide, [P(4,4,4,4)][Br]; and tetrabutyl phosphonium chloride, [P(4,4,4,4)][Cl], on some of the chemical, physical and biological properties of a biomedical-grade suspension of poly(vinyl chloride) (PVC). The main goal of this work was to evaluate the capacity of these PhILs to modify some of the properties of neat PVC, in particular those that may allow their use as potential alternatives to traditional phthalate-based plasticizers in PVC biomedical applications. PVC films having different PhIL compositions (0, 5, 10 and 20 wt.%) were prepared (by solvent film casting) and characterised by Fourier transform infrared, thermogravimetric analysis, differential scanning calorimetry, dynamical mechanical thermal analysis, scanning electron microscopy/energy-dispersive X-ray/electron probe microanalysis, X-ray diffraction, transmittance, permeability towards oxygen and carbon dioxide, thermal degradation, contact angle measurement, water and vapour uptake, leachability and biocompatibility (haemolytic potential, thrombogenicity and cytotoxicity). A conventional organic plasticizer (di-isononyl phthalate) was used for comparison purposes. The results obtained showed that it was possible to change the neat PVC hydrophobicity, and consequently its water uptake capacity and plasticizer leachability, just by changing the PhIL employed and its composition. It was also possible to significantly change the thermal and mechanical properties of PVC films by choosing appropriate PhIL cation/anion combinations. However, a specific PhIL may not always be capable of simultaneously keeping and/or improving both physical properties. In addition, ionic halide salts were found to promote PVC

  16. Electrochemical Deposition of Niobium onto the Surface of Copper Using a Novel Choline Chloride-Based Ionic Liquid

    SciTech Connect

    Wixtroma, Alex I.; Buhlera, Jessica E.; Reece, Charles E.; Abdel-Fattah, Tarek M.

    2013-06-01

    Recent research has shown that choline chloride-based solutions can be used to replace acid-based electrochemical polishing solutions. In this study niobium metal was successfully deposited on the surface of copper substrate via electrochemical deposition using a novel choline chloride-based ionic liquid. The niobium metal used for deposition on the Cu had been dissolved in the solution from electrochemical polishing of a solid niobium piece prior to the deposition. The visible coating on the surface of the Cu was analyzed using scanning electron microscopy (SEM) and electron dispersive x-ray spectroscopy (EDX). This deposition method effectively recycles previously dissolved niobium from electrochemical polishing.

  17. Ionic liquid-polyvinyl chloride ionomer for highly selective isolation of basic proteins.

    PubMed

    Shu, Yang; Chen, Xu-Wei; Wang, Jian-Hua

    2010-04-15

    Hydrophilic ionic liquid-polyvinyl chloride (PVC) hybrids were prepared by immobilizing N-methylimidazole (N-mim) to PVC chains in toluene. The NmimCl-PVC hybrids were characterized by FT-IR, (1)H NMR, surface charge analysis and elemental analysis. The immobilization ratio, i.e., the percentage of chloride on PVC chain reacting with N-mim to form the hybrid, varies from 4.3% to 15.1% by increasing the N-mim/PVC molar ratio. The most distinct feature of the hybrid is its excellent selectivity for adsorbing basic proteins by effective suppression of the non-specific protein adsorption by pure PVC, and a higher immobilization ratio facilitates better selectivity. In Tris-HCl buffer, 100 microg mL(-1) of basic proteins, i.e., lysozyme (Lys), cytochrome c (cyt-c) and hemoglobin (Hb), were favorably adsorbed with efficiencies of 97%, 98% and 94% by the hybrid with an immobilization ratio of 15.1%, while the adsorption of acidic proteins, i.e., bovine albumin serum (BSA), transferring (Trf) and immunoglobulin G (IgG) were negligible. The retained Lys, cyt-c and Hb could be readily recovered by elution with phosphate buffer, carbonate buffer and SDS solution with efficiencies of 89%, 87% and 84%, respectively. Another feature of the hybrid is the significant improvement of the biocompatibility characterized by the maintenance of the activity of hemoglobin after adsorption and elution process. The practical usefulness of the hybrid was demonstrated by selective isolation of hemoglobin from human whole blood.

  18. The importance of timescale for hydrogen bonding in imidazolium chloride ionic liquids.

    PubMed

    Skarmoutsos, Ioannis; Welton, Tom; Hunt, Patricia A

    2014-02-28

    Hydrogen bond (H-bond) dynamics have been investigated for "hot" 1-ethyl-3-methylimidazolium chloride and "cold" 1-butyl-3-methylimidazolium chloride ionic liquids (IL). While the average number of H-bonds remains constant for a ≈100 °C temperature change we show that the underlying dynamics of the H-bonding changes dramatically. H-bond dynamics are investigated based on distance and angle criteria, and on the H-bond state (zero, single or bifurcated H-bonds). Temperature effects on the cation ring reorientational dynamics are also examined. Angle deformations are found to be more important than bond stretching in determining the lifetime of individual H-bonds, and decay occurs on two time scales related to the magnitude of the deviation from linearity. Rapid angular oscillation of the anion breaks the H-bond (for the first time) and minimal temperature effects indicate that H-bonds are readily reformed even near the melting point. Intermittent H-bonds repeatedly break and reform over a longer timescale, and exhibit very strong temperature effects. In the hot IL H-bonding with ring and alkyl chain H-atoms occurs, ring reorientational dynamics is anisotropic and the corresponding lifetimes are similar to the intermittent H-bond lifetimes. In the cold IL ring H-atoms dominate the H-bonding and intermittent H-bonds last for ≈5 ns, ring reorientation occurs on a much slower timescale. The hot IL favours single H-bonds, but the individual ions often change, while the cold IL favours bifurcated H-bonds with the same co-located ions.

  19. Radiation effects on microcrystalline cellulose in 1-butyl-3-methylimidazolium chloride ionic liquid.

    PubMed

    Hao, Yan; Peng, Jing; Ao, Yinyong; Li, Jiuqiang; Zhai, Maolin

    2012-11-06

    The radiation processing of cellulose in ionic liquids (ILs) demands a comprehensive knowledge of radiation effects on cellulose in ILs. Herein, gamma radiation-induced degradation kinetics of microcrystalline cellulose (MCC) in 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) was studied by viscometry. The intrinsic viscosity of MCC in [Bmim]Cl decreased slightly with increasing dose; while chemical structure and crystalline state of cellulose has no obvious change up to 300 kGy. The radiation degradation rate constant (k) of MCC in [Bmim]Cl was 2.60×10(-7)/kGy, lower than that of solid cellulose, but higher than that in N-methylmorpholine-N-oxide (NMMO) solvent. Furthermore, k value decreased to 1.12×10(-7)/kGy in dimethyl sulfoxide (DMSO)/[Bmim]Cl system due to the free radicals scavenging of DMSO. The radicals generated during irradiation play main role in the radiation degradation of MCC in [Bmim]Cl. This work provides a new way to control the average molecular weight of cellulose by radiation-induced degradation of cellulose in ILs.

  20. Impact of nanoscale surface heterogeneity on precursor film growth and macroscopic spreading of [Rmim][NTf2] ionic liquids on mica.

    PubMed

    Wang, Zhantao; Priest, Craig

    2013-09-10

    The connection between the interfacial properties of ionic liquids and their wetting behavior has been studied very little to date and not at all on heterogeneous surfaces. Therefore, we have investigated the static and dynamic wetting for a family of ionic liquids, 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide, [Rmim][NTf2], on mica, where R represents an ethyl, butyl, or hexyl alkyl chain on the imidazolium ring. Spreading is impacted greatly by a precursor film that forms on both homogeneous and heterogeneous mica surfaces. Macroscopically, the initial viscous spreading of the ionic liquid droplet on bare mica occurs within seconds but is then followed by a very slow relaxation that can be closely correlated with the typical time-scales of the precursor film growth. The contact angle for [emim][NTf2] and [bmim][NTf2] relaxes from about 40° to 23° over 30 and 90 min, respectively. For [hmim][NTf2], the process takes approximately 24 h and approaches complete wetting. The thickness of the precursor films for [emim][NTf2], [bmim][NTf2], and [hmim][NTf2] were 0.53, 0.65, and 1.0 nm, respectively, according to atomic force microscopy (AFM). These values are consistent with a monolayer of ionic liquid cations on mica, rather than ion pairs. A monolayer of octadecylphosphonic acid (OPA) on mica prevents both the formation of a precursor film and the relaxation of the contact angle. However, only a partial surface coverage of ~60% OPA is required to have the same effect. Quenching of precursor film formation (and associated contact angle relaxation) is due to an increasingly connected network of OPA regions that closes the nanoscale paths of bare mica on which the precursor film can develop via surface diffusion.

  1. Ionic association and solvation of the ionic liquid 1-hexyl-3-methylimidazolium chloride in molecular solvents revealed by vapor pressure osmometry, conductometry, volumetry, and acoustic measurements.

    PubMed

    Sadeghi, Rahmat; Ebrahimi, Nosaibah

    2011-11-17

    A systematic study of osmotic coefficient, conductivity, volumetric and acoustic properties of solutions of ionic liquid 1-hexyl-3-methylimidazolium chloride ([C(6)mim][Cl]) in various molecular solvents has been made at different temperatures in order to study of ionic association and solvation behavior of [C(6)mim][Cl] in different solutions. Precise measurements on electrical conductances of solutions of [C(6)mim][Cl] in water, methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and acetonitrile at 293.15, 298.15, and 303.15 K are reported and analyzed with Barthel's low-concentration chemical model (lcCM) to obtain the limiting molar conductivities and association constants of this ionic liquid in the investigated solvents. Strong ion pairing was found for the ionic liquid in 2-propanol, 1-butanol, and 1-propanol, whereas ion association in acetonitrile, methanol and ethanol is rather weak and in water the ionic liquid is fully dissociated. In the second part of this work, the apparent molar volumes and isentropic compressibilities of [C(6)mim][Cl] in water, methanol, ethanol, acetonitrile, 1-propanol, 2-propanol, and 1-butanol are obtained at the 288.15-313.15 K temperature range at 5 K intervals at atmospheric pressure from the precise measurements of density and sound velocity. The infinite dilution apparent molar volume and isentropic compressibility values of the free ions and ion pairs of [C(6)mim][Cl] in the investigated solvents as well as the excess molar volume of the investigated solutions are determined and their variations with temperature and type of solvents are also studied. Finally, the experimental measurements of osmotic coefficient at 318.15 K for binary solutions of [C(6)mim][Cl] in water, methanol, ethanol, 2-propanol, and acetonitrile are taken using the vapor pressure osmometry (VPO) method and from which the values of the solvent activity, vapor pressure, activity coefficients, and Gibbs free energies are calculated. The results are

  2. Surface Tensions of Ionic Liquids: Non-Regular Trend Along the Number of Cyano Groups.

    PubMed

    Almeida, Hugo F D; Carvalho, Pedro J; Kurnia, Kiki A; Lopes-da-Silva, José A; Coutinho, João A P; Freire, Mara G

    2016-02-15

    Ionic liquids (ILs) with cyano-functionalized anions are a set of fluids that are still poorly characterized despite their remarkably low viscosities and potential applications. Aiming at providing a comprehensive study on the influence of the number of -CN groups through the surface tension and surface organization of ILs, the surface tensions of imidazolium-based ILs with cyano-functionalized anions were determined at atmospheric pressure and in the (298.15 to 343.15) K temperature range. The ILs investigated are based on 1-alkyl-3-methylimidazolium cations (alkyl = ethyl, butyl and hexyl) combined with the [SCN](-), [N(CN)2](-), [C(CN)3](-) and [B(CN)4](-)anions. Although the well-known trend regarding the surface tension decrease with the increase of the size of the aliphatic moiety at the cation was observed, the order obtained for the anions is more intricate. For a common cation and at a given temperature, the surface tension decreases according to: [N(CN)2](-) > [SCN](-) > [C(CN)3](-) > [B(CN)4](-). Therefore, the surface tension of this homologous series does not decrease with the increase of the number of -CN groups at the anion as has been previously shown by studies performed with a more limited matrix of ILs. A maximum in the surface tension and critical temperature was observed for [N(CN)2]-based ILs. Furthermore, a minimum in the surface entropy, indicative of a highly structured surface, was found for the same class of ILs. All these evidences seem to be a result of stronger hydrogen-bonding interactions occurring in [N(CN)2]-based ILs, when compared with the remaining CN-based counterparts, and as sustained by cation-anion interaction energies derived from the Conductor Like Screening Model for Real Solvents (COSMO-RS).

  3. Surface Tensions of Ionic Liquids: Non-Regular Trend Along the Number of Cyano Groups

    PubMed Central

    Almeida, Hugo F. D.; Carvalho, Pedro J.; Kurnia, Kiki A.; Lopes-da-Silva, José A.; Coutinho, João A. P.; Freire, Mara G.

    2016-01-01

    Ionic liquids (ILs) with cyano-functionalized anions are a set of fluids that are still poorly characterized despite their remarkably low viscosities and potential applications. Aiming at providing a comprehensive study on the influence of the number of –CN groups through the surface tension and surface organization of ILs, the surface tensions of imidazolium-based ILs with cyano-functionalized anions were determined at atmospheric pressure and in the (298.15 to 343.15) K temperature range. The ILs investigated are based on 1-alkyl-3-methylimidazolium cations (alkyl = ethyl, butyl and hexyl) combined with the [SCN]-, [N(CN)2]−, [C(CN)3]− and [B(CN)4]-anions. Although the well-known trend regarding the surface tension decrease with the increase of the size of the aliphatic moiety at the cation was observed, the order obtained for the anions is more intricate. For a common cation and at a given temperature, the surface tension decreases according to: [N(CN)2]- > [SCN]- > [C(CN)3]- > [B(CN)4]-. Therefore, the surface tension of this homologous series does not decrease with the increase of the number of –CN groups at the anion as has been previously shown by studies performed with a more limited matrix of ILs. A maximum in the surface tension and critical temperature was observed for [N(CN)2]-based ILs. Furthermore, a minimum in the surface entropy, indicative of a highly structured surface, was found for the same class of ILs. All these evidences seem to be a result of stronger hydrogen-bonding interactions occurring in [N(CN)2]-based ILs, when compared with the remaining CN-based counterparts, and as sustained by cation-anion interaction energies derived from the Conductor Like Screening Model for Real Solvents (COSMO-RS). PMID:27642224

  4. Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures

    SciTech Connect

    Gupta, Aditya; Sharma, Shobha; Kashyap, Hemant K.

    2015-04-07

    This article reports results from the molecular dynamics simulations on the structural arrangement of the ions and molecules in the mixtures of trihexyl(tetradecyl)phosphonium chloride ([P{sub 666,14}{sup +}][Cl{sup −}]) ionic liquid (IL) and methanol (MeOH) over the entire composition range. Effects of composition on the charge and polarity orderings have been investigated via computation of X-ray scattering structure function, S(q), and by using a partitioning scheme proposed for such multi-component mixtures. Except for the neat methanol liquid, the total S(q) shows two peaks in its intermolecular region for all the mole-fractions. The lowest q peak is dominated primarily by anion-anion, cation-anion, and methanol-anion correlations. Our results signify that the methanol bulk structure, which predominantly has short-distance characteristic correlations and is governed by polar group of methanol, is retained for x{sub IL} ≤ 0.1. Then, the mixture goes through gradual structural changes from methanol-like to the IL-like for 0.1 < x{sub IL} ≤ 0.7. The dipolar interaction between methanol molecules weakens in this range, and the structural landscape of the mixture is steered by strong ion-ion, anion-methanol, and nonpolar interactions. The IL-like structural arrangement is virtually recovered for x{sub IL} > 0.7. At all the compositions studied, while the cation head groups are predominantly solvated by anions and subsequently by methanol molecules, the polar hydroxyl group of methanol is preferentially solvated by the anions. The radial distribution functions of selected pair of atomic species have also confirmed these observations.

  5. Aqueous Solutions of the Ionic Liquid 1-butyl-3-methylimidazolium Chloride Denature Proteins

    SciTech Connect

    Baker, Gary A; Heller, William T

    2009-01-01

    As we advance our understanding, ionic liquids (ILs) are finding ever broader scope within the chemical sciences including, most recently, pharmaceutical, enzymatic, and bioanalytical applications. With examples of enzymatic activity reported in both neat ILs and in IL/water mixtures, enzymes are frequently assumed to adopt a quasi-native conformation, even if little work has been carried out to date toward characterizing the conformation, dynamics, active-site perturbation, cooperativity of unfolding transitions, free energy of stabilization, or aggregation/oligomerization state of enzymes in the presence of an IL solvent component. In this study, human serum albumin and equine heart cytochrome c were characterized in aqueous solutions of the fully water-miscible IL 1-butyl-3-methylimidazolium chloride, [bmim]Cl, by small-angle neutron and X-ray scattering. At [bmim]Cl concentrations up to 25 vol.%, these two proteins were found to largely retain their higher-order structures whereas both proteins become highly denatured at the highest IL concentration studied here (i.e., 50 vol.% [bmim]Cl). The response of these proteins to [bmim]Cl is analogous to their behavior in the widely studied denaturants guanidine hydrochloride and urea which similarly lead to random coil conformations at excessive molar concentrations. Interestingly, human serum albumin dimerizes in response to [bmim]Cl, whereas cytochrome c remains predominantly in monomeric form. These results have important implications for enzymatic studies in aqueous IL media, as they suggest a facile pathway through which biocatalytic activity can be altered in these nascent and potentially green electrolyte systems.

  6. Concentration dependence of ionic conductance measured with ion-selective sub-micro pipette probes in aqueous sodium and potassium chloride solutions

    NASA Astrophysics Data System (ADS)

    Son, J. W.; Takami, T.; Lee, J.-K.; Kawai, T.; Park, B. H.

    2011-07-01

    Selective ionic currents in aqueous sodium and potassium chloride solutions with concentrations from 0.01 M to 1.0 M were measured using sub-micro pipette probes in which a poly(vinyl chloride) film containing crown ethers selectively filtered sodium or potassium ions. The selective ionic currents were monitored with a sub-picoampere current measurement system developed from the techniques of TΩ-gap impedance scanning tunneling microscopy. The ionic currents increased with the concentration of the corresponding solution, and thus these sub-micro pipette probes can be applied to detect local ionic concentration of a specific ion in living cells with ionic concentration higher than 0.1 M.

  7. Ionic strength dependence of the oxidation of SO2 by H2O2 in sodium chloride particles

    SciTech Connect

    Ali, Hashim M.; Iedema, Martin J.; Yu, Xiao-Ying; Cowin, James P.

    2014-06-20

    The reaction of sulfur dioxide and hydrogen peroxide in the presence of deliquesced (>75% RH) sodium particles was studied by utilizing a crossflow-mini reactor. The reaction kinetics was followed by observing chloride depletion in particles by computer-controlled scanning electron microscope with energy dispersive X-ray analysis, namely SEM/EDX. The reactions take place in concentrated mixed salt brine aerosols, for which no complete kinetic equilibrium data previously existed. We measured the Henry’s law solubility of H2O2 to close that gap. We also calculated the reaction rate as the particle transforms continuously from concentrated NaCl brine to eventually a mixed NaHSO4 plus H2SO4 brine solution. The reaction rate of the SO2 oxidation by H2O2 was found to be influenced by the change in ionic strength as the particle undergoes compositional transformation, following closely the dependence of the third order rate constant on ionic strength as predicted rates using previously established rate equations. This is the first study that has measured the ionic strength dependence of sulfate formation (in non-aqueous media) from oxidation of mixed salt brine aerosols in the presence of H2O2. It also gives the first report of the Henry’s law constant of H2O2 dependence on ionic strength.

  8. Intra- and intermolecular effects on the Compton profile of the ionic liquid 1,3-dimethylimidazolium chloride

    SciTech Connect

    Koskelo, J. Juurinen, I.; Ruotsalainen, K. O.; Lehtola, S.; Galambosi, S.; Hämäläinen, K.; Huotari, S.; Hakala, M.; McGrath, M. J.; Kuo, I-F.

    2014-12-28

    We present a comprehensive simulation study on the solid-liquid phase transition of the ionic liquid 1,3-dimethylimidazolium chloride in terms of the changes in the atomic structure and their effect on the Compton profile. The structures were obtained by using ab initio molecular dynamics simulations. Chosen radial distribution functions of the liquid structure are presented and found generally to be in good agreement with previous ab initio molecular dynamics and neutron scattering studies. The main contributions to the predicted difference Compton profile are found to arise from intermolecular changes in the phase transition. This prediction can be used for interpreting future experiments.

  9. Local order and long range correlations in imidazolium halide ionic liquids: a combined molecular dynamics and XAS study.

    PubMed

    Migliorati, Valentina; Serva, Alessandra; Aquilanti, Giuliana; Pascarelli, Sakura; D'Angelo, Paola

    2015-07-07

    A thorough characterization of the structural properties of alkylimidazolium halide ionic liquids (ILs), namely 1-alkyl-3-methylimidazolium bromide ([Cnmim]Br with n = 5, 6, 8, 10) and iodide ([C6mim]I), has been carried out by combining molecular dynamics simulations and EXAFS spectroscopy. The existence of a local order in [Cnmim]Br ILs has been evidenced, with anions and imidazolium head groups forming a local three-dimensional bonding pattern that is common to all the [Cnmim]Br IL family, regardless of the length of the alkyl chain attached to the cation. On the other hand, upon alkyl chain elongation significant differences have been highlighted in the long-range structure of these ILs. Theoretical X-ray structure factors have been calculated from MD simulations and a low q peak has been found for all [Cnmim]Br ILs, indicating the existence of long-range structural correlations. The low q peak moves to smaller q values corresponding to longer distances, increases in intensity and sharpens with increasing alkyl chain length on the cation. Similarities and differences between the ion three-dimensional arrangements in [C6mim]Br and [C6mim]I were highlighted and the structural arrangement of Br(-) and I(-) was found to be different in the proximity of the most acidic hydrogen atom of the imidazolium ring: the I(-) ion is preferentially located above and below the ring plane, while the Br(-) ion has a high probability also to be coplanar with the imidazolium ring. A quantitative analysis of the Br and I K-edge EXAFS spectra of alkylimidazolium halide ILs has been carried out based on the microscopic description of the systems derived from MD simulations. A very good agreement between theoretical and experimental EXAFS signals has been obtained, allowing us to assess the reliability of the MD structural results for all the alkylimidazolium halide ILs investigated in this work.

  10. Interactions between hydrophobic and ionic solutes in aqueous guanidinium chloride and urea solutions: lessons for protein denaturation mechanism.

    PubMed

    O'Brien, Edward P; Dima, Ruxandra I; Brooks, Bernard; Thirumalai, D

    2007-06-13

    In order to clarify the mechanism of denaturant-induced unfolding of proteins we have calculated the interactions between hydrophobic and ionic species in aqueous guanidinium chloride and urea solutions using molecular dynamics simulations. Hydrophobic association is not significantly changed in urea or guanidinium chloride solutions. The strength of interaction between ion pairs is greatly diminished by the guanidinium ion. Although the changes in electrostatic interactions in urea are small, examination of structures, using appropriate pair functions, of urea and water around the solutes show strong hydrogen bonding between urea's carbonyl oxygen and the positively charged solute. Our results strongly suggest protein denaturation occurs by the direct interaction model according to which the most commonly used denaturants unfold proteins by altering electrostatic interactions either by solvating the charged residues or by engaging in hydrogen bonds with the protein backbone. To further validate the direct interaction model we show that, in urea and guanidinium chloride solutions, unfolding of an unusually stable helix (H1) from mouse PrPC (residues 144-153) occurs by hydrogen bonding of denaturants to charged side chains and backbone carbonyl groups.

  11. Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids

    SciTech Connect

    Zhang, Y; Maginn, EJ

    2014-01-01

    Based on molecular dynamics simulations, the melting points T-m of a series of 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids [CnMIM][PF6] with n = 2, 4, 10, 12, and 14 were studied using the free energy-based pseudosupercritical path (PSCP) method. The experimental trend that the Tm decreases with increasing alkyl chain length for ILs with short alkyl chains and increases for the ones with long alkyl chains was correctly captured. Further analysis revealed that the different trends are the results of the balance between fusion enthalpy and fusion entropy. For the ILs with short alkyl chains (ethyl and butyl groups), fusion entropy plays the dominant role so that [C4MIM][PF6], which has a larger fusion entropy due to its higher liquid phase entropy has the lower melting temperature. As for the ILs with long alkyl chains, due to the enhanced van der Waals interactions brought about by the long non-polar alkyl chains, enthalpy becomes the deciding factor and the melting points increase when the alkyl chain goes from C10 to C14. While the melting points for [C2MIM][PF6] and [C4MIM][PF6] were quantitatively predicted and the trends for the long chain ILs were captured correctly, the absolute melting points for [C10MIM][PF6], [C12MIM][PF6] and [C14MIM][PF6] were systematically overestimated in the simulations. Three possible reasons for the overestimation were studied but all ruled out. Further simulation or experimental studies are needed to explain the difference.

  12. Characterization of cellulose II nanoparticles regenerated from ionic liquid, 1-butyl-3-methylimidazolium chloride

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Regenerated cellulose nanoparticles (RCNs) including both elongated fiber and spherical structures were prepared from microcrystalline cellulose (MCC)and cotton using 1-butyl-3-methylimidazolium chloride followed by high-pressure homogenization. The crystalline structure of RCNs was cellulose II in ...

  13. Adsorption of 1-butyl-3-methylimidazolium chloride ionic liquid by functional carbon microspheres from hydrothermal carbonization of cellulose.

    PubMed

    Qi, Xinhua; Li, Luyang; Tan, Tengfei; Chen, Wenting; Smith, Richard L

    2013-03-19

    Functional carbonaceous material (FCM) loaded with carboxylic groups was prepared by hydrothermal carbonization of cellulose in the presence of acrylic acid. The resulting FCM was used as adsorbent for recovery of a water-soluble ionic liquid, 1-butyl-3-methyl-imidazolium chloride ([BMIM][Cl]). The FCM consisted of microspheres (100-150 nm) and had a low surface area (ca. 20 m(2)/g), but exhibited adsorption capacity comparable to that of commercial activated carbon which can be attributed to the presence of high content of polar oxygenated groups (-OH, -C═O, -COOH) as revealed by spectral analyses. Sorption of [BMIM][Cl] onto FCM adsorbent could be well-described by pseudo-second-order kinetics. Thermodynamic and adsorption isothermal analyses revealed that the adsorption process was spontaneous, exothermic, and could be described by the Freundlich adsorption model. The FCM adsorbent could be regenerated effectively and recycled for at least three times without loss of adsorption capacity. The results of this work provide a facile method for production of functional carbonaceous materials from renewable resources that can be used for treatment of aqueous streams containing small concentrations of ionic liquid, [BMIM][Cl].

  14. The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids

    NASA Astrophysics Data System (ADS)

    Zolghadr, Amin Reza; Ghatee, Mohammad Hadi; Moosavi, Fatemeh

    2016-08-01

    Partial atomic charges using various quantum mechanical calculations for [Cnmim]Cl (n = 1, 4) ionic liquids (ILs) are obtained and used for development of molecular dynamics simulation (MD) force fields. The isolated ion pairs are optimized using HF, B3LYP, and MP2 methods for electronic structure with 6-311++G(d,p) basis set. Partial atomic charges are assigned to the atomic center with CHELPG and NBO methods. The effect of these sets of partial charges on the static and dynamic properties of ILs is evaluated by performing a series of MD simulations and comparing the essential thermodynamic properties with the available experimental data and available molecular dynamics simulation results. In contrast to the general trends reported for ionic liquids with BF4, PF6, and iodide anions (in which restrained electrostatic potential (RESP) charges are preferred), partial charges derived by B3LYP-NBO method are relatively good in prediction of the structural, dynamical, and thermodynamic energetic properties of the chloride based ILs.

  15. [Ionic mechanisms of the effects of phenibut and GABA unrelated to changes in the function of chloride channels].

    PubMed

    Komissarov, I V; Abramets, I I

    1985-01-01

    It is established that beta-phenyl-GABA (phenibut) and partly GABA elicit direct depolarization of the isolated spinal cord motoneurons. The depolarizing effect of phenibut and a depolarizing component of GABA action do not alter in the presence of picrotoxin (10(-5) mol/l) and in the chloride-deficient medium. This depolarizing phenibut effect which is not bound with activation of GABAA-receptors and chloride channels coupled with them does not alter in Na+-deficient medium, enhances in the medium with excess of K+ ions (10 mol/l) and in presence of imidazol (5 . 10(-4) mol/l) and is completely abolished in the Ca2+-deficient medium with 2 mmol/l of Mn2+ or in the presence of 10(-4) mol/l theophylline. It is supposed that phenibut and partly GABA diminish intracellular concentration of cAMP via GABAB-receptor activation and decrease functional activity of voltage-dependent Ca2+-ionic channels and Ca2+-activated outward K+-currents.

  16. Steric, hydrogen-bonding and structural heterogeneity effects on the nucleophilic substitution of N-(p-fluorophenyldiphenylmethyl)-4-picolinium chloride in ionic liquids.

    PubMed

    Weber, Cameron C; Masters, Anthony F; Maschmeyer, Thomas

    2013-04-21

    The nucleophilic substitution of N-(p-fluorophenyldiphenylmethyl)-4-picolinium chloride was investigated using water and a range of alcoholic nucleophiles in ionic liquid solvents. The reactivity patterns across the nucleophiles examined could be attributed to steric factors, which mediated the relative nucleophilicities. Reducing the hydrogen-bond acidity of the ionic liquid cation was found to generally increase the rate of reaction, however, the magnitude of this rate effect could be influenced by the steric bulk of the nucleophile and the structural heterogeneity of the ionic liquid. Preferential solvation phenomena in binary mixtures of ionic liquids were examined and suggest that the mechanism behind the hydrogen-bond solvation phenomenon arises from direct cation-mediated, rather than indirect anion-mediated, effects.

  17. Molecular Dynamics Simulations of the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Chloride and Its Binary Mixtures with Ethanol.

    PubMed

    Chen, Mo; Pendrill, Robert; Widmalm, Göran; Brady, John W; Wohlert, Jakob

    2014-10-14

    Room temperature ionic liquids (ILs) of the imidazolium family have attracted much attention during the past decade for their capability to dissolve biomass. Besides experimental work, numerous compuational studies have been concerned with the physical properties of both neat ILs and their interactions with different solutes, in particular, carbohydrates. Many classical force fields designed specifically for ILs have been found to yield viscosities that are too high for the liquid state, which has been attributed to the fact that the effective charge densities are too high due to the lack of electronic polarizability. One solution to this problem has been uniform scaling of the partial charges by a scale factor in the range 0.6-0.9, depending on model. This procedure has been shown to improve the viscosity of the models, and also to positively affect other properties, such as diffusion constants and ionic conductivity. However, less attention has been paid to how this affects the overall thermodynamics of the system, and the problems it might create when the IL models are combined with other force fields (e.g., for solutes). In the present work, we employ three widely used IL force fields to simulate 1-n-butyl-3-methyl-imidazolium chloride in both the crystal and the liquid state, as well as its binary mixture with ethanol. Two approaches are used: one in which the ionic charge is retained at its full integer value and one in which the partial charges are uniformly reduced to 85%. We investigate and calculate crystal and liquid structures, molar heat capacities, heats of fusion, self-diffusion constants, ionic conductivity, and viscosity for the neat IL, and ethanol activity as a function of ethanol concentration for the binary mixture. We show that properties of the crystal are less affected by charge scaling compared to the liquid. In the liquid state, transport properties of the neat IL are generally improved by scaling, whereas values for the heat of fusion are

  18. Crystalline and liquid structure of zinc chloride trihydrate: a unique ionic liquid.

    PubMed

    Wilcox, Robert J; Losey, Bradley P; Folmer, Jacob C W; Martin, James D; Zeller, Matthias; Sommer, Roger

    2015-02-02

    The water/ZnCl(2) phase diagram in the vicinity of the 75 mol % water composition is reported, demonstrating the existence of a congruently melting phase. Single crystals of this 3-equiv hydrate were grown, and the crystal structure of [Zn(OH(2))(6)][ZnCl(4)] was determined. Synchrotron X-ray and neutron diffraction and IR and Raman spectroscopy along with reverse Monte Carlo modeling demonstrate that a CsCl-type packing of the molecular ions persists into the liquid state. Consistent with the crystalline and liquid structural data, IR spectroscopy demonstrates that the O-H bonds of coordinated water do not exhibit strong intermolecular hydrogen ion bonding but are significantly weakened because of the water's coordination to Lewis acidic zinc ions. The O-H bond weakening makes this system a very strong hydrogen-bond donor, whereas the ionic packing along with the nonpolar geometry of the molecular ions makes this system a novel nonpolar, hydrogen-bonding, ionic liquid solvent.

  19. Adsorption properties of CFC and CFC replacements on activated carbon containing introduced ionic fluoride and chloride

    SciTech Connect

    Tanada, Seiki; Kawasaki, Naohito; Nakamura, Takeo; Abe, Ikuo

    1996-10-15

    Plasma technology has been available for the chlorofluorocarbon (CFC) decomposition or etching of silicone. The adsorption properties of CFC (CFC113) and CFC replacements (HCFC141b, HCFC225cb, and 5FP) on several kinds of plasma-treated activated carbons (P-ACs) prepared under different treatment gases were investigated using the adsorption isotherms, the limiting pore volume and the affinity coefficient and energy of adsorption calculated by the Dubinin-Radushkevich plot, and the quality and kinds of introduced fluoride and chloride. The dissolved fluoride and chloride atoms were introduced to the surface of activated carbon by CFC113, HCFC141b, and HCFC225cb, while the dissolved fluoride atoms were those from 5FP and tetrafluoromethane. The adsorbed amount of CFC and CFC replacements, except for 5FP, on P-ACs was larger than that on U-AC. The specific adsorption site on plasma-treated activated carbon of the CFC and CFC replacements was the fluoride atoms which were introduced by plasma treatment. It is concluded that the plasma-treated activated carbon was suitable for the recovery of CFC and CFC replacements, because the adsorbed amount of CFC and CFC replacements was larger than that on untreated activated carbon, and the adsorbed CFC and CFC replacements on activated carbon were decomposed by the plasma treatment.

  20. Biochemical and genetic toxicity of the ionic liquid 1-octyl-3-methylimidazolium chloride on earthworms (Eisenia fetida).

    PubMed

    Guo, Yingying; Liu, Tong; Zhang, Jun; Wang, Jinhua; Wang, Jun; Zhu, Lusheng; Yang, Jinhui

    2016-02-01

    Ionic liquids also known as "green solvents," are used in many fields. However, the dispersion of ionic liquids in soil systems is likely to cause damage to soil organisms. The objective of the present study was to investigate the toxicity of 1-octyl-3-methylimidazolium chloride ([C8 mim]Cl) on earthworms (Eisenia fetida). For this purpose, earthworms were exposed to different concentrations of [C8 mim]Cl (0 mg/kg, 5 mg/kg, 10 mg/kg, 20 mg/kg, and 40 mg/kg artificial soil) and sampled at 7 d, 14 d, 21 d, and 28 d. The results indicated that [C8 mim]Cl could cause an accumulation of reactive oxygen species (ROS) in earthworms, even at the lowest concentration (5 mg/kg). Compared with the controls, during the [C8 mim]Cl exposure period, the activities of superoxide dismutase (SOD) and catalase (CAT) decreased and then increased, whereas the activities of peroxidase (POD) and glutathione S-transferase (GST) increased. These changes in the activities of antioxidant enzymes and GST indicated that [C8 mim]Cl could induce oxidative damage in earthworms. The malondialdehyde content was increased by high levels of [C8 mim]Cl at 14 d and 28 d, indicating that [C8 mim]Cl could lead to lipid peroxidation in earthworms. In addition, the degree of DNA damage significantly increased with increasing [C8 mim]Cl concentrations and exposure time. The present study shows that [C8 mim]Cl caused biochemical and genetic toxicity in earthworms.

  1. Fe-containing ionic liquids as effective and recoverable oxidants for dissolution of UO2 in the presence of imidazolium chlorides.

    PubMed

    Yao, Aining; Chu, Taiwei

    2013-06-21

    Imidazolium-based Fe-containing ionic liquids (ILs) can directly dissolve UO2 in the presence of their corresponding imidazolium chlorides without additional oxidants. The dissolution process follows pseudo first-order kinetics initially. Raman spectroscopic studies indicate that FeCl4(2-) is the predominant reduction product after UO2 dissolution, and attenuated total reflection-Fourier transform infrared spectroscopy indicates that the UO2(2+) complex is the principal product in the ILs. The dissolved uranyl species can be successfully separated from the Fe-containing ILs via a combination of centrifugation and solvent extraction, and also, the Fe-containing ILs can be recovered easily. In conclusion, imidazolium-based Fe-containing ionic liquids in the presence of imidazolium chlorides could be used as effective and recoverable oxidants for the dissolution of UO2.

  2. Spines slow down dendritic chloride diffusion and affect short-term ionic plasticity of GABAergic inhibition

    PubMed Central

    Mohapatra, Namrata; Tønnesen, Jan; Vlachos, Andreas; Kuner, Thomas; Deller, Thomas; Nägerl, U. Valentin; Santamaria, Fidel; Jedlicka, Peter

    2016-01-01

    Cl− plays a crucial role in neuronal function and synaptic inhibition. However, the impact of neuronal morphology on the diffusion and redistribution of intracellular Cl− is not well understood. The role of spines in Cl− diffusion along dendritic trees has not been addressed so far. Because measuring fast and spatially restricted Cl− changes within dendrites is not yet technically possible, we used computational approaches to predict the effects of spines on Cl− dynamics in morphologically complex dendrites. In all morphologies tested, including dendrites imaged by super-resolution STED microscopy in live brain tissue, spines slowed down longitudinal Cl− diffusion along dendrites. This effect was robust and could be observed in both deterministic as well as stochastic simulations. Cl− extrusion altered Cl− diffusion to a much lesser extent than the presence of spines. The spine-dependent slowing of Cl− diffusion affected the amount and spatial spread of changes in the GABA reversal potential thereby altering homosynaptic as well as heterosynaptic short-term ionic plasticity at GABAergic synapses in dendrites. Altogether, our results suggest a fundamental role of dendritic spines in shaping Cl− diffusion, which could be of relevance in the context of pathological conditions where spine densities and neural excitability are perturbed. PMID:26987404

  3. Spines slow down dendritic chloride diffusion and affect short-term ionic plasticity of GABAergic inhibition

    NASA Astrophysics Data System (ADS)

    Mohapatra, Namrata; Tønnesen, Jan; Vlachos, Andreas; Kuner, Thomas; Deller, Thomas; Nägerl, U. Valentin; Santamaria, Fidel; Jedlicka, Peter

    2016-03-01

    Cl‑ plays a crucial role in neuronal function and synaptic inhibition. However, the impact of neuronal morphology on the diffusion and redistribution of intracellular Cl‑ is not well understood. The role of spines in Cl‑ diffusion along dendritic trees has not been addressed so far. Because measuring fast and spatially restricted Cl‑ changes within dendrites is not yet technically possible, we used computational approaches to predict the effects of spines on Cl‑ dynamics in morphologically complex dendrites. In all morphologies tested, including dendrites imaged by super-resolution STED microscopy in live brain tissue, spines slowed down longitudinal Cl‑ diffusion along dendrites. This effect was robust and could be observed in both deterministic as well as stochastic simulations. Cl‑ extrusion altered Cl‑ diffusion to a much lesser extent than the presence of spines. The spine-dependent slowing of Cl‑ diffusion affected the amount and spatial spread of changes in the GABA reversal potential thereby altering homosynaptic as well as heterosynaptic short-term ionic plasticity at GABAergic synapses in dendrites. Altogether, our results suggest a fundamental role of dendritic spines in shaping Cl‑ diffusion, which could be of relevance in the context of pathological conditions where spine densities and neural excitability are perturbed.

  4. Spines slow down dendritic chloride diffusion and affect short-term ionic plasticity of GABAergic inhibition.

    PubMed

    Mohapatra, Namrata; Tønnesen, Jan; Vlachos, Andreas; Kuner, Thomas; Deller, Thomas; Nägerl, U Valentin; Santamaria, Fidel; Jedlicka, Peter

    2016-03-18

    Cl(-) plays a crucial role in neuronal function and synaptic inhibition. However, the impact of neuronal morphology on the diffusion and redistribution of intracellular Cl(-) is not well understood. The role of spines in Cl(-) diffusion along dendritic trees has not been addressed so far. Because measuring fast and spatially restricted Cl(-) changes within dendrites is not yet technically possible, we used computational approaches to predict the effects of spines on Cl(-) dynamics in morphologically complex dendrites. In all morphologies tested, including dendrites imaged by super-resolution STED microscopy in live brain tissue, spines slowed down longitudinal Cl(-) diffusion along dendrites. This effect was robust and could be observed in both deterministic as well as stochastic simulations. Cl(-) extrusion altered Cl(-) diffusion to a much lesser extent than the presence of spines. The spine-dependent slowing of Cl(-) diffusion affected the amount and spatial spread of changes in the GABA reversal potential thereby altering homosynaptic as well as heterosynaptic short-term ionic plasticity at GABAergic synapses in dendrites. Altogether, our results suggest a fundamental role of dendritic spines in shaping Cl(-) diffusion, which could be of relevance in the context of pathological conditions where spine densities and neural excitability are perturbed.

  5. Fast synthesis and optical property of SnO nanoparticles from choline chloride-based ionic liquid

    NASA Astrophysics Data System (ADS)

    Zheng, Hui; Gu, Chang-Dong; Wang, Xiu-Li; Tu, Jiang-Ping

    2014-02-01

    A fast, environmentally friendly, and reproducible method is proposed to synthesize SnO nanoparticles in an ionic liquid which consists of choline chloride, urea, and SnCl2·2H2O. The nano-sized SnO particles with a size of about 20-30 nm can be synthesized in 1 min without any further treatment and complicated infrastructures. When prolonging the reaction time, the SnO nanoparticles can be self-assembled into micro-sized balls with the hydrangea geometry. High-resolution transmission electron microscopy shows that the SnO nanoparticle consists of tetragonal structured crystals with the grain size of about 4-6 nm. X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy further certify the composition, chemical state, and chemical band of the prepared SnO samples. Moreover, the direct band gap of the SnO samples is highly dependent on the particle architectures. A larger band gap value of about 3.80 eV is obtained in the nano-sized SnO which may be due to the quantum size effect.

  6. Choline chloride based ionic liquid analogues as tool for the fabrication of agar films with improved mechanical properties.

    PubMed

    Sousa, Ana M M; Souza, Hiléia K S; Latona, Nicholas; Liu, Cheng-Kung; Gonçalves, Maria P; Liu, LinShu

    2014-10-13

    In the present paper, we test the suitability of ChCl/urea (DES-U) and ChCl/glycerol (DES-G) eutectic mixtures, each one prepared at 1:2 molar ratio, for the production of agar films. A three-step process is proposed: pre-solubilization of polymer in DES followed by compression-molding and subsequent drying. The mechanical properties, water resistance and microstructure of the films were evaluated at different polymer concentrations (i.e. 2-6%, w/w). DES-U showed by far, the best film forming ability. Agreeing with the diffusion and SEM data, films with the best mechanical properties were found at the lowest and highest agar concentrations (tensile strengths of 24.2-42 MPa and elongations of 15.4-38.9%). The water sorption and contact angle studies suggested increased hydrophilicity for the film containing the lowest concentration of agar. The use of choline chloride based ionic liquid analogues as solvent and plasticizer might be a promising tool for the development of new non-aqueous materials based on seaweed polysaccharides.

  7. Coexistence of iso-nonergodic laponite gel and glass in 1-methyl-3-octylimidazolium chloride ionic liquid solutions.

    PubMed

    Joshi, Nidhi; Rawat, Kamla; Bohidar, H B

    2014-06-12

    We report unique colloidal gel-glass coexistence in aqueous laponite dispersion (2% w/v) in the presence of 1-methyl-3-octylimidazolium chloride ionic liquid (IL, [C8mim][Cl], concentration 0.01 to 0.05% w/v), where both of the phases had identical nonergodicity and were dynamically interactive. With aging, the nascent heterogeneous dispersion exhibited spontaneous two-phase separation, and the time-dependent relative viscosity followed: η(r) = |ε|(-k) where ε = (t - t(g))/t(g) and t(g) is the time required for the system to get arrested, with k decreasing from 3.13 to 2.54 as the IL concentration was increased from 0 to 0.03% (w/v), implying slowing down of the arrest kinetics. This time was measured from viscosity and rheology studies, revealing the formation of IL-mediated finite size colloidal networks on a time scale of ~4 × 10(3) s, whereas the dispersion developed a large viscosity one decade in time later (~4 × 10(4) s). Homogeneous transparent upper phase was an entropic glass and exhibited substantial storage modulus gain (300-3000 Pa) with an increase in IL concentration (0 to 0.05% (w/v)). The translucent lower gel phase had a much higher storage modulus. Dynamic light scattering measured bimodal relaxation time of concentration fluctuations. The degree of nonergodicity in the two phases was approximately the same, implying laponite-IL cluster exchange across the interface (identical slow-mode diffusivity). In summary, IL-induced first-order phase separation in laponite dispersion produced a homogeneous colloidal gel coexisting with a glass not commonly observed in soft matter systems. This implied that the two phases were dynamically coupled on long time scales, whereas their short-time behavior was distinctively different.

  8. Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation.

    PubMed

    Zubeir, Lawien F; Rocha, Marisa A A; Vergadou, Niki; Weggemans, Wilko M A; Peristeras, Loukas D; Schulz, Peter S; Economou, Ioannis G; Kroon, Maaike C

    2016-08-17

    The low-viscous tricyanomethanide ([TCM](-))-based ionic liquids (ILs) are gaining increasing interest as attractive fluids for a variety of industrial applications. The thermophysical properties (density, viscosity, surface tension, electrical conductivity and self-diffusion coefficient) of the 1-alkyl-3-methylimidazolium tricyanomethanide [Cnmim][TCM] (n = 2, 4 and 6-8) IL series were experimentally measured over the temperature range from 288 to 363 K. Moreover, a classical force field optimized for the imidazolium-based [TCM](-) ILs was used to calculate their thermodynamic, structural and transport properties (density, surface tension, self-diffusion coefficients, viscosity) in the temperature range from 300 to 366 K. The predictions were directly compared against the experimental measurements. The effects of anion and alkyl chain length on the structure and thermophysical properties have been evaluated. In cyano-based ILs, the density decreases with increasing molar mass, in contrast to the behavior of the fluorinated anions, being in agreement with the literature. The contribution per -CH2- group to the increase of the viscosity presents the following sequence: [PF6](-) > [BF4](-) > [Tf2N](-) > [DCA](-) > [TCB](-) > [TCM](-). [TCM](-)-based ILs show lower viscosity than dicyanamide ([DCA](-))- and tetracyanoborate ([TCB](-))-based ILs, while the latter two exhibit a crossover which depends both on temperature and the alkyl chain length of the cation. The surface tension of the investigated ILs decreases with increasing alkyl chain length. [C2mim][TCM] shows an outlier behavior compared to other members of the homologous series. The surface enthalpies and surface entropies for all the studied systems have been calculated based on the experimentally determined surface tensions. The relationship between molar conductivity and viscosity was analyzed using the Walden rule. The experimentally determined self-diffusion coefficients of the cations are in good

  9. Theoretical study of the reaction of chitosan monomer with 2,3-epoxypropyl-trimethyl quaternary ammonium chloride catalyzed by an imidazolium-based ionic liquid.

    PubMed

    Mu, Xueli; Yang, Xiaodeng; Zhang, Dongju; Liu, Chengbu

    2016-08-01

    The molecular mechanism of the graft reaction of 2,3-epoxypropyl-trimethyl quaternary ammonium chloride with chitosan monomer was investigated by performing density functional theory (DFT) calculations. The calculated results show that the -NH2 group of chitosan monomer is more reactive than its -OH and -CH2OH groups, and the graft reaction on the -NH2 group is calculated to be exothermic by 20.5kcal/mol with a free energy barrier of 42.6kcal/mol. The reaction cannot benefit from the presence of the intruded water molecule, but can be considerably assisted by 1-allyl-3-methylimidazolium chloride ([Amim]Cl) ionic liquid. The reaction catalyzed by the ion-pair is calculated to be exothermic by 36.5kcal/mol and the barrier is reduced to 29.3kcal/mol, which are further corrected to 28.0 and 29.1kcal/mol by considering the solvent effect of [Amim]Cl ionic liquid. Calculated results verified the experimental finding that imidazolium-based ionic liquids can promote the reaction of chitosan with epoxy compounds.

  10. Electropolishing of stainless steels in a choline chloride based ionic liquid: an electrochemical study with surface characterisation using SEM and atomic force microscopy.

    PubMed

    Abbott, Andrew P; Capper, Glen; McKenzie, Katy J; Glidle, Andrew; Ryder, Karl S

    2006-09-28

    We have studied the anodic dissolution (electropolishing) of various stainless steel alloys in an ionic liquid comprising a 2 : 1 stoichiometric mix of ethylene glycol (EG) and choline chloride. We have used a combination of electrochemical and spectroscopic methods together with in situ liquid probe microscopy. We discuss the role and influence of the surface oxide passivation layer, characterized here by X-ray photoelectron spectroscopy (XPS) and linear sweep voltammetry, on the polishing process. We address the question of dealloying during the polish in order to contribute to our understanding of the viability of the ionic liquid as a replacement industrial electropolishing medium; the current commercial process uses a corrosive mixture of phosphoric and sulfuric acids. Also, we present data from ex situ and in situ liquid AFM studies giving both a qualitative and quantitative insight into the nature and scale of morphological changes at the steel surface during the polishing process.

  11. Universal charge quenching and stability of proteins in 1-methyl-3-alkyl (hexyl/octyl) imidazolium chloride ionic liquid solutions.

    PubMed

    Rawat, Kamla; Bohidar, H B

    2012-09-13

    This study reports pH dependent stability of protein dispersions of five common proteins, bovine serum albumin (BSA), human serum albumin (HSA), immunoglobulin (IgG), β-lactoglobulin (β-Lg), and gelatin-B (Gel-B), all having isoelectric pH, pI ≈ 5, in room temperature ionic liquid solutions of 1-methyl-3-alkyl (hexyl/octyl) imidazolium chloride (concentration 0-0.2% w/v). Molecular hydrophobicity index, (H-index = hydrophobicity/hydrophilicity) of these molecules spanned the range 0.43-0.87. Electrophoretic characteristics, surface tension data and hydrodynamic size information revealed that IL solutions provide dispersion stability owing to specific protein-IL binding which did not alter their pI values though their surface charge was considerably screened. Change in maximum (ζ(max)) and minimum (ζ(min)) zeta potential values observed at pH ~3 (maximum protonated state) and pH ~8 (maximum deprotonated state) could be described universally as function of IL concentration, c as Δζ(x) = [1 - exp(-ac)] where Δζ(x) is either |(ζ(max) - ζ(w))|/ζ(w) or |(ζ(min) - ζ(w))|/ζ(w), and ζ(w) is the corresponding value in water. Tensiometry data showed two major stages of protein-IL interactions: (i) for c < cmc of IL, the IL molecules selectively bind with imidazolium cation through electrostatic forces forming protein-IL (complex) and (ii) for c> cmc free IL-aggregates begin to form. Similarly, we can define Δγ(x) as either |(γ(max) - γ(w))|/γ(w) at pH 3 or |(γ(min) - γ(w))|/γ(w) at pH 8. Both Δζ(x) and Δγ(x) showed linear dependence with c, Δγ(min, max) (or Δζ(min, max)) = (1 - K(γ) (or K(ζ)) H-index), where the slopes K(ζ) and K(γ) defined intermolecular interactions. Hydrodynamic radii data revealed protein stabilization, circular dichroism spectra implied retention of secondary structures, and Raman spectra confirmed a marginal increase in water structure. Results concluded that selective binding of IL molecules to protein surface in

  12. Structural characterization of zinc(II) chloride in aqueous solution and in the protic ionic liquid ethyl ammonium nitrate by x-ray absorption spectroscopy.

    PubMed

    D'Angelo, Paola; Zitolo, Andrea; Ceccacci, Francesca; Caminiti, Ruggero; Aquilanti, Giuliana

    2011-10-21

    Extended x-ray absorption fine structure (EXAFS) spectroscopy has been used to investigate the species and structures existing in a series of ZnCl(2)-H(2)O-NaCl solutions with different chloride/zinc ratios and in a solution of ZnCl(2) in the protic ionic liquid ethyl ammonium nitrate (EAN). The average coordination numbers and distances of zinc species were determined from the analysis of the EXAFS data. In aqueous solution the number of chloride ions tightly bounded to Zn(2+) is significantly related to the chloride/zinc ratio, and no inner complex formation between Zn(2+) and Cl(-) ions has been detected for low ZnCl(2) concentration (0.1 and 0.2 M). Conversely, in the same concentration range (0.13 M) the ZnCl(2) species do not dissociate in EAN and the Zn(2+) first coordination shell has two chloride ions and is completed by two oxygen atoms of the nitrate anion. The results of this investigation show that notwithstanding the existence of similar characteristics between EAN and water, the solvation properties of the two solvents are markedly different.

  13. Interionic Interactions in Imidazolium-Based Ionic Liquids: The Role of the C2-Position Revealed by Raman Scattering and Supported by IR and NMR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Noack, Kristina; Paape, Natalia; Kiefer, Johannes; Wasserscheid, Peter; Leipertz, Alfred

    2010-08-01

    Intermolecular interactions determine the state of aggregation of a substance at given temperature. Based on that, changes in intermolecular interactions can lead to microscopic reordering which may be observed macroscopically in terms of altered physicochemical properties. Especially, when chemicals are employed in technical processes, it is important to control and regulate their properties to guarantee product quality. A special group of chemical substances increasingly gaining interest in the field of chemical and process engineering are room temperature ionic liquids (RTILs). In general, RTILs are organic salts with melting points "below the boiling point of water". The variety of possible combinations of cations and anions lead to a wide range of chemical and thermo-physical properties. In fact, it is possible to tune their properties by adjusting the ratio of Coulomb and van der Waals interactions. However, because it is hardly possible to investigate a reasonable fraction of the potential cation-anion combinations, a molecular-based understanding of their properties is crucial to make a rational design possible. In this regard vibrational spectroscopy has proven to be very beneficial for structural analysis and the investigation of interionic and intermolecular interactions. Therein, especially Raman spectroscopy shows a significant advantage of being insensitive to water interference and it is widely applied in the field of ionic liquids. Among others the 1-alkyl-3-methylimidazolium [RMIM] based ILs have been employed as model ILs in structural analysis, and most vibrational studies available in literature have been carried out investigating this kind of ILs. In contrast, spectroscopic data and calculations of C2-methylated 1,2-dialkyl-3-methylimidazolium based ILs, are available to a much lesser extend. The substitution in the C2 position in those ILs disrupts the main hydrogen-bonding interaction between the cation and the anion and is expected to lead

  14. Binary lanthanide(III)/nitrate and ternary lanthanide(III)/nitrate/chloride complexes in an ionic liquid containing water: optical absorption and luminescence studies.

    PubMed

    Ansari, Seraj A; Liu, Lisheng; Rao, Linfeng

    2015-02-14

    The formation of binary Ln(iii)/nitrate and ternary Ln(iii)/nitrate/chloride complexes in a water-saturated ionic liquid, 1-butyl-3-methyl imidazolium bis(trifluoromethanesulfonyl)imide (denoted BumimTf(2)N), was investigated by absorption spectrophotometry and luminescence spectroscopy. Four successive binary complexes, Nd(NO(3))(2+), Nd(NO(3))(2)(+), Nd(NO(3))(3), and Nd(NO(3))(4)(-), were identified, and their stability constants in water-saturated BumimTf(2)N are several orders of magnitude higher than those in aqueous solutions, but much lower than those observed in dry BumimTf(2)N. The complexation of lanthanides with nitrate in wet BumimTf(2)N proceeds via the replacement of water molecules by bidentate nitrate anions from the inner solvation spheres of Ln(3+) cations. In the absence of nitrate, the precipitation of Ln(iii)/chloride complex(es) occurs at low ratios of C(Cl)/C(Ln) (<6) in BumimTf(2)N, which precludes the determination of stability constants of binary Ln(iii)/chloride complexes by spectrophotometry or luminescence spectroscopy. However, using a competition approach, the formation of two ternary complexes, Ln(NO(3))(3)Cl(2)(2-) and Ln(NO(3))(2)Cl(4)(3-), has been observed and their stability constants in wet BumimTf(2)N were determined. Data indicate that both nitrate and chloride are stronger ligands than water for lanthanides in BumimTf(2)N.

  15. Preparation of Copper Telluride Films by Co-Reduction of Cu(I) and Te(IV) Ions in Choline Chloride: Ethylene Glycol Ionic Liquid

    NASA Astrophysics Data System (ADS)

    Golgovici, Florentina; Catrangiu, Adriana-Simona; Stoian, Andrei Bogdan; Anicai, Liana; Visan, Teodor

    2016-07-01

    Cathodic processes of direct co-reduction of Cu+ and Te4+ ions on Pt electrode at 60°C were investigated using cyclic voltammetry and electrochemical impedance spectroscopy techniques. The ionic liquid as background electrolyte consisted of a mixture of choline chloride and ethylene glycol (ChCl-EG 1:2 mol ratio) in which 5-20 mM CuCl and 8 mM TeO2 were dissolved. The voltammograms exhibited the following successive cathodic processes: Cu2+/Cu+ reduction, Te underpotential deposition, simultaneous deposition of Cu metal and CuTe compound, and deposition of Te-rich CuTe compound at the most negative potentials (from -0.5 V to -0.8 V). Corresponding dissolution or oxidation peaks were recorded on the anodic branch. The voltammetric results were confirmed by electrochemical impedance spectra. Copper telluride films have been synthesized on platinum substrate via potentiostatic electrodeposition at 60°C. It was found from atomic force microscopy that CuTe film samples prepared from ChCl-EG + 5 mM CuCl + 8 mM TeO2 ionic liquid have high growth rates. The x-ray diffraction patterns of the deposited films from ChCl-EG + 10 mM CuCl + 8 mM TeO2 ionic liquid indicated the presence of a Cu2Te phase for film deposited at -0.7 V and a Cu0.656Te0.344 phase for film deposited at -0.6 V.

  16. Lithium Sulfuryl Chloride Battery.

    DTIC Science & Technology

    Primary batteries , Electrochemistry, Ionic current, Electrolytes, Cathodes(Electrolytic cell), Anodes(Electrolytic cell), Thionyl chloride ...Phosphorus compounds, Electrical conductivity, Calibration, Solutions(Mixtures), Electrical resistance, Performance tests, Solvents, Lithium compounds

  17. Quantum state-resolved molecular scattering of NO (2Π1 /2) at the gas-[Cnmim][Tf2N] room temperature ionic liquid interface: Dependence on alkyl chain length, collision energy, and temperature

    NASA Astrophysics Data System (ADS)

    Zutz, Amelia; Nesbitt, David J.

    2016-10-01

    Room temperature ionic liquids (RTILs) represent a promising class of chemically tunable, low vapor pressure solvents with myriad kinetic applications that depend sensitively on the nature of gas-molecule interactions at the liquid surface. This paper reports on rovibronically inelastic dynamics at the gas-RTIL interface, colliding supersonically cooled hyperthermal molecular beams of NO (1/2 2Π, N = 0) from 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (or [Cnmim][Tf2N]) and probing the scattered NO molecules via laser induced fluorescence (LIF) from the A(2Σ ) state. Specifically, inelastic energy transfer into NO rovibrational and electronic degrees of freedom is explored as a function of RTIL alkyl chain length (n), incident collision energy (Einc) and surface temperature (Ts). At low collision energies (Einc = 2.7(9) kcal/mol), the scattered NO molecules exhibit a rotational temperature (Trot) systematically colder than Ts for all chain lengths, which signals the presence of non-equilibrium dynamics in the desorption channel. At high collision energies (Einc = 20(2) kcal/mol), microscopic branching into trapping/desorption (TD) and impulsive scattering (IS) pathways is clearly evident, with the TD fraction (α ) exhibiting a step-like increase between short (n = 2, 4) and long (n = 8, 12, 16) alkyl chains consistent with theoretical predictions. For all hydrocarbon chain lengths and RTIL temperature conditions, NO rotational excitation in the IS channel yields hyperthermal albeit Boltzmann-like distributions well described by a "temperature" (TIS = 900 -1200 K) that decreases systematically with increasing n. Non-adiabatic, collision induced hopping between ground and excited spin-orbit states is found to be independent of RTIL alkyl chain length and yet increase with collision energy. The scattering data confirm previous experimental reports of an enhanced presence of the alkyl tail at the gas-RTIL interface with increasing n, as well as

  18. Effect of the salt-induced micellar microstructure on the nonlinear shear flow behavior of ionic cetylpyridinium chloride surfactant solutions

    NASA Astrophysics Data System (ADS)

    Gaudino, D.; Pasquino, R.; Kriegs, H.; Szekely, N.; Pyckhout-Hintzen, W.; Lettinga, M. P.; Grizzuti, N.

    2017-03-01

    The shear flow dynamics of linear and branched wormlike micellar systems based on cetylpyridinium chloride and sodium salicylate in brine solution is investigated through rheometric and scattering techniques. In particular, the flow and the structural flow response are explored via velocimetry measurements and rheological and rheometric small-angle neutron scattering (SANS) experiments, respectively. Although all micellar solutions display a similar shear thinning behavior in the nonlinear regime, the experimental results show that shear banding sets in only when the micelle contour length L ¯ is sufficiently long, independent of the nature of the micellar connections (either linear or branched micelles). Using rheometric SANS, we observe that the shear banding systems both show very similar orientational ordering as a function of Weissenberg number, while the short branched micelles manifest an unexpected increase of ordering at very low Weissenberg numbers. This suggests the presence of an additional flow-induced relaxation process that is peculiar for branched systems.

  19. Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements

    NASA Astrophysics Data System (ADS)

    Nakajima, Kaoru; Nakanishi, Shunto; Lísal, Martin; Kimura, Kenji

    2016-03-01

    Elemental depth profiles of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([CnMIM][TFSI], n = 4, 6, 8) are measured using high-resolution Rutherford backscattering spectroscopy (HRBS). The profiles are compared with the results of molecular dynamics (MD) simulations. Both MD simulations and HRBS measurements show that the depth profiles deviate from the uniform stoichiometric composition in the surface region, showing preferential orientations of ions at the surface. The MD simulations qualitatively reproduce the observed HRBS profiles but the agreement is not satisfactory. The observed discrepancy is ascribed to the capillary waves. By taking account of the surface roughness induced by the capillary waves, the agreement becomes almost perfect.

  20. Cathodic Deposition of Components in BiSbTe Ternary Compounds as Thermoelectric Films Using Choline-Chloride-Based Ionic Liquids

    NASA Astrophysics Data System (ADS)

    Golgovici, Florentina; Cojocaru, Anca; Nedelcu, Marin; Visan, Teodor

    2010-09-01

    This paper reports electrodeposition of BiTe, SbTe, and BiSbTe films using ionic liquids based on choline chloride (ChCl) and malonic acid mixtures (1:1 moles) at 80°C to 85°C. The electrolyte contained bismuth and/or antinomy species and tellurium species with 1.5 mM to 50 mM concentrations; Pt sheet, Pt mesh, and Pt wire were used for working, auxiliary, and quasireference electrodes, respectively. Cyclic voltammograms revealed the beginning and cathodic peak of pure Te deposition; at more negative potentials simultaneous codeposition of binary or ternary compounds as limiting currents or a series of peaks were observed. Correspondingly, two or three dissolution (stripping) anodic peaks were observed. Nyquist and Bode impedance spectra show differences in Pt behavior due to its polarization at various cathodic potentials. Equivalent-circuit components providing the best fit to the data were calculated. Deposition of BiSbTe films on copper plates was also performed by electrolysis at controlled potentials or current pulses. Some measurements of Seebeck coefficients of the obtained films were carried out.

  1. The role of the binding salt sodium salicylate in semidilute ionic cetylpyridinium chloride micellar solutions: a rheological and scattering study.

    PubMed

    Gaudino, D; Pasquino, R; Stellbrink, J; Szekely, N; Krutyeva, M; Radulescu, A; Pyckhout-Hintzen, W; Grizzuti, N

    2016-12-21

    The micellar system based on cetylpyridinium chloride (CPyCl) and sodium salicylate (NaSal) in brine solution is investigated on both macro- and micro-length scales through rheology and scattering measurements. The linear viscoelasticity of the system and its structural parameters are explored by systematically changing the amount of NaSal over an extremely wide range of concentrations, thus producing salt-to-surfactant molar ratios from zero to about 8.5. As a result, the well-known non-monotonic behaviour of the zero-shear rate viscosity as a function of salinity can be connected to micellar morphological changes, whose driving force is represented by the simultaneous binding and screening actions of NaSal. The viscosity behaviour can be seen as a direct consequence of consecutive lengthening/shortening of the contour length, where the micelles attempt to minimize the electrostatic charge density on their surface. Along similar lines, the scattering measurements of the semidilute solutions show that the local stiffness of the micellar chain changes with increasing salt content influencing the elasticity of the resulting network. Within this general view, the branching of the micelles can be seen as a side effect attributable to the main character of the play, namely, the binding salt NaSal, whereas the overall dynamics of the system is driven by the considerable changes in the entanglement density of the micellar network.

  2. Removal of malachite green dye from aqueous solution using mesoporous silica synthesized from 1-octyl-3-methylimidazolium chloride ionic liquid

    NASA Astrophysics Data System (ADS)

    Ekka, Basanti; Nayak, Soumitra Ranjan; Dash, Priyabrat; Patel, Raj Kishore

    2016-04-01

    In this research, mesoporous silica was synthesized via a modified sol-gel route using 1-octyl-3-methylimidazolium chloride and was employed to remove malachite green (MG) dye from aqueous solution. Subsequently, this material was characterized and identified by different techniques such as Fourier transform infrared spectroscopy (FT-IR), N2 adsorption-desorption method, scanning electron microscopy (SEM), and thermosgravimetric analysis (TGA). Unique properties such as high surface area and pore diameter, in addition to highly reactive atoms and presence of various functional groups make the mesoporous silica possible for efficient removal of malachite green (MG). In batch experimental set-up, optimum conditions for quantitative removal of MG by mesoporous silica was attained by varying different variables such as adsorbent dosage, initial dye concentration, contact time, and pH. Optimum values were set as pH of 8.0, 0.5 g of adsorbent at contact time of 120 min. The adsorption of MG follows the pseudo-second-order rate equation. Equilibrium data fitted well with the Freundlich model at all amount of adsorbent, while maximum adsorption capacity was 5.981 mg g-1 for 0.5 g mesoporous silica synthesized in IL.

  3. Development and validation of an ionic chromatography method for the determination of nitrate, nitrite and chloride in meat.

    PubMed

    Lopez-Moreno, Cristina; Perez, Isabel Viera; Urbano, Ana M

    2016-03-01

    The purpose of this study is to develop the validation of a method for the analysis of certain preservatives in meat and to obtain a suitable Certified Reference Material (CRM) to achieve this task. The preservatives studied were NO3(-), NO2(-) and Cl(-) as they serve as important antimicrobial agents in meat to inhibit the growth of bacteria spoilage. The meat samples were prepared using a treatment that allowed the production of a known CRM concentration that is highly homogeneous and stable in time. The matrix effects were also studied to evaluate the influence on the analytical signal for the ions of interest, showing that the matrix influence does not affect the final result. An assessment of the signal variation in time was carried out for the ions. In this regard, although the chloride and nitrate signal remained stable for the duration of the study, the nitrite signal decreased appreciably with time. A mathematical treatment of the data gave a stable nitrite signal, obtaining a method suitable for the validation of these anions in meat. A statistical study was needed for the validation of the method, where the precision, accuracy, uncertainty and other mathematical parameters were evaluated obtaining satisfactory results.

  4. [Ultrastructure of chloride cell of gill epithelium and body ionic composition of the fry of two species of Pacific salmon during migration to the sea].

    PubMed

    Maksimovich, A A

    2010-01-01

    Pacific salmon fry were collected in 2001-2002 in the rivers of Southern Sakhalin on the way of their migration to the sea. The comparison of the data on ionic content of chum salmon fry carcass, received in 2002, with those obtained in 2001, has shown that the dispersion of ion concentration values in 2002 samples was significantly smaller than in 2001. Similar results were obtained when the mass of smolts was compared. The significant decrease of Na+ concentration in chum salmon fry during migration to the sea supports the idea on an imperative stimulus formation by means of change of Na+ concentration in migrating fish. The analysis of gill chloride cell (CC) structure in chum salmon and masu salmon fry in fresh and salty water has shown, that in fishes from fresh water CC were located mainly in primary lamellae, at the basis of secondary lamellae. As a rule, CC are large, have a large nucleus with an active chromatin and a light cytoplasm with numerous elongated mitochondria containing dense matrix. Secondary lamellae are short, 1-3 cells thick and practically contain no CC. In some fishes secondary lamellae were more numerous and longer. Some part of secondary lamellae contained large CC; in this place their width was approximately 2 times greater. As a whole, CC number in these fishes was increased. Analyzing all the material received during 2 years, with respect to CC cell structure and functions, a conclusion was drawn that freshwater fry of two salmon species, both chum salmon and masu salmon, caught at the same time and practically in the same reservoirs, could be divided into 3 groups. Masu salmon underyearlings are characterized, as a rule, by a thickened secondary lamellae epithelium, which, however contained few CC. In the chum salmon smolts, on the contrary, epithelium was thin, but contained numerous CC, which demonstrate active structure in the beginning of migration to the sea. But as they approached the sea (and migration duration increased), CC

  5. Effect of Imidazolium-Based Surface-Active Ionic Liquids on the Orientation of Liquid Crystals at Various Fluid/Liquid Crystal Interfaces.

    PubMed

    Tian, Tongtong; Hu, Qiongzheng; Wang, Yi; Gao, Yan'an; Yu, Li

    2016-11-15

    A series of imidazolium-based surface-active ionic liquids (IM-SAILs), viz., single-chained IM-SAILs, 1-alkyl-3-methylimidazolium bromide ([Cnmim]Br, n = 12, 14, 16), 1-dodecyl-3-methylimidazolium salicylate ([C12mim]Sal), 1-dodecyl-3-methylimidazolium 3-hydroxy-2-naphthoate ([C12mim]HNC), 1-dodecyl-3-methylimidazolium cinnamate ([C12mim]CA), 1-dodecyl-3-methylimidazolium para-hydroxy-cinnamate ([C12mim]PCA), gemini IM-SAIL, and 1,2-bis(3-dodecylimidazolium-1-yl)ethane bromide ([C12-2-C12im]Br2), along with three short-chained ionic liquids (ILs) [ethylammonium nitrate (EAN), propylammonium nitrate (PAN), and butylammonium nitrate (BAN)] were synthesized and applied to nematic liquid crystal (LC)/fluid interfaces. First, we evaluated the influence of the length and number of aliphatic chains as well as the counterion in the IM-SAIL structures on the anchoring of LCs at the aqueous/LC interface. It was observed that the threshold concentration of [Cnmim]Br (n = 12, 14, 16) decreased with the increase in aliphatic chain length. And double-chained [C12-2-C12im]Br2 has a far lower threshold concentration than single-chained [C12mim]Br. But the alteration of counterions (e.g., Br(-) and aromatic counterions) scarcely affected the anchoring of LCs at the interface. Second, we investigated the alignment of LCs at the diverse IL/LC interfaces in the presence of IM-SAILs. It is found that the variations in both aliphatic chain length and number can remarkably change the trigger points of the orientational transition of LCs at the EAN/LC interface. Specifically, with a slight increase in the alkyl chain length of short-chained ILs, as the fluid medium, the orientation of LCs varied tremendously at the IL/LC interface. Therefore, the higher threshold concentration of IM-SAILs and the corresponding greater stability in the optical appearance of LCs at the EAN/LC interface compared to that of the aqueous/LC interface can be ascribed to the discrepancy in the microstructure of

  6. Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture.

    PubMed

    Spickermann, C; Thar, J; Lehmann, S B C; Zahn, S; Hunger, J; Buchner, R; Hunt, P A; Welton, T; Kirchner, B

    2008-09-14

    In this study we present the results of a first principles molecular dynamics simulation of a single 1-ethyl-3-methyl-imidazolium chloride [C(2)C(1)im][Cl] ion pair dissolved in 60 water molecules. We observe a preference of the in plane chloride coordination with respect to the cation ring plane as compared to the energetic slightly more demanding on top coordination. Evaluation of the different radial distribution functions demonstrates that the structure of the hydration shell around the ion pair differs significantly from bulk water and that no true ion pair dissociation in terms of completely autonomous solvation shells takes place on the timescale of the simulation. In addition, dipole moment distributions of the solvent in distinct solvation shells around different functional parts of the [C(2)C(1)im][Cl] ion pair are calculated from maximally localized Wannier functions. The analysis of these distributions gives evidence for a depolarization of water molecules close to the hydrophobic parts of the cation as well as close to the anion. Examination of the angular distribution of different OH(H(2)O)-X angles in turn shows a linear coordination of chloride accompanied by a tangential orientation of water molecules around the hydrophobic groups, being a typical feature of hydrophobic hydration. Based on these orientational aspects, a structural model for the obvious preference of ion pair association is developed, which justifies the associating behavior of solvated [C(2)C(1)im][Cl] ions in terms of an energetically favorable interface between the solvation shells of the anion and the hydrophobic parts of the cation.

  7. Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture

    NASA Astrophysics Data System (ADS)

    Spickermann, C.; Thar, J.; Lehmann, S. B. C.; Zahn, S.; Hunger, J.; Buchner, R.; Hunt, P. A.; Welton, T.; Kirchner, B.

    2008-09-01

    In this study we present the results of a first principles molecular dynamics simulation of a single 1-ethyl-3-methyl-imidazolium chloride [C2C1im][Cl] ion pair dissolved in 60 water molecules. We observe a preference of the in plane chloride coordination with respect to the cation ring plane as compared to the energetic slightly more demanding on top coordination. Evaluation of the different radial distribution functions demonstrates that the structure of the hydration shell around the ion pair differs significantly from bulk water and that no true ion pair dissociation in terms of completely autonomous solvation shells takes place on the timescale of the simulation. In addition, dipole moment distributions of the solvent in distinct solvation shells around different functional parts of the [C2C1im][Cl] ion pair are calculated from maximally localized Wannier functions. The analysis of these distributions gives evidence for a depolarization of water molecules close to the hydrophobic parts of the cation as well as close to the anion. Examination of the angular distribution of different OH(H2O )-X angles in turn shows a linear coordination of chloride accompanied by a tangential orientation of water molecules around the hydrophobic groups, being a typical feature of hydrophobic hydration. Based on these orientational aspects, a structural model for the obvious preference of ion pair association is developed, which justifies the associating behavior of solvated [C2C1im][Cl] ions in terms of an energetically favorable interface between the solvation shells of the anion and the hydrophobic parts of the cation.

  8. Fabrication and evaluation of variable focus and large deformation plano-convex microlens based on non-ionic poly(vinyl chloride)/dibutyl adipate gels

    NASA Astrophysics Data System (ADS)

    Kim, Sang-Youn; Yeo, Myoung; Shin, Eun-Jae; Park, Won-Hyeong; Jang, Jong-Seok; Nam, Byeong-Uk; Bae, Jin Woo

    2015-11-01

    In this paper, we propose a variable focus microlens module based on a transparent, electroactive, and non-ionic PVC/DBA gel. A non-ionic PVC/DBA (nPVC) gel on an ITO glass was confined beneath a rigid annular electrode, and applied pressure squeezed a bulge of the nPVC gel into the annular electrode, resulting in a hemispherical plano-convex nPVC gel microlens. The proposed nPVC gel microlens was analyzed and optimized. When voltage is applied to the circular perimeter (the annular electrode) of this fabricated microlens, electrically induced creep deformation of the nPVC gel occurs, changing its optical focal length. The focal length remarkably increases from 3.8 mm up to 14.3 mm with increasing applied voltages from 300 V to 800 V. Due to its compact, transparent, and electroactive characteristics, the proposed nPVC gel microlens can be easily inserted into small consumer electronic devices, such as digital cameras, camcorders, cell phones, and other portable optical devices.

  9. Chloride salt type/ionic strength and refrigeration effects on antioxidant enzymes and lipid oxidation in cattle, camel and chicken meat.

    PubMed

    Gheisari, Hamid Reza; Motamedi, Hossien

    2010-10-01

    The effects of NaCl and KCl at varying ionic strengths on catalase and glutathione peroxidase (GSH-Px) activities and lipid oxidation in ground Longissimus dorsi (LD) of cattle and camel and breast muscle of chicken during refrigerated storage were studied. NaCl and KCl significantly increased 2-thiobarbituric reactive substances (TBARS) and peroxide values. TBARS and peroxide values increased and GSH-Px activity decreased during 4 day storage in the 4 degrees C, but catalase activity was stable. Salt type had no consistent effect on GSH-Px and catalase activities. Chicken samples had lower enzyme activities and TBARS content than cattle and camel. Their peroxide values were lower than camel samples. Camel meat showed higher catalase activity and TBARS content than cattle meat. Results indicated that negative correlation between lipid oxidation and GSH-Px activity and the accelerated lipid oxidation in salted meat may be partly related to a decrease in GSH-Px activity.

  10. Salt, chloride, bleach, and innate host defense

    PubMed Central

    Wang, Guoshun; Nauseef, William M.

    2015-01-01

    Salt provides 2 life-essential elements: sodium and chlorine. Chloride, the ionic form of chlorine, derived exclusively from dietary absorption and constituting the most abundant anion in the human body, plays critical roles in many vital physiologic functions, from fluid retention and secretion to osmotic maintenance and pH balance. However, an often overlooked role of chloride is its function in innate host defense against infection. Chloride serves as a substrate for the generation of the potent microbicide chlorine bleach by stimulated neutrophils and also contributes to regulation of ionic homeostasis for optimal antimicrobial activity within phagosomes. An inadequate supply of chloride to phagocytes and their phagosomes, such as in CF disease and other chloride channel disorders, severely compromises host defense against infection. We provide an overview of the roles that chloride plays in normal innate immunity, highlighting specific links between defective chloride channel function and failures in host defense. PMID:26048979

  11. Salt, chloride, bleach, and innate host defense.

    PubMed

    Wang, Guoshun; Nauseef, William M

    2015-08-01

    Salt provides 2 life-essential elements: sodium and chlorine. Chloride, the ionic form of chlorine, derived exclusively from dietary absorption and constituting the most abundant anion in the human body, plays critical roles in many vital physiologic functions, from fluid retention and secretion to osmotic maintenance and pH balance. However, an often overlooked role of chloride is its function in innate host defense against infection. Chloride serves as a substrate for the generation of the potent microbicide chlorine bleach by stimulated neutrophils and also contributes to regulation of ionic homeostasis for optimal antimicrobial activity within phagosomes. An inadequate supply of chloride to phagocytes and their phagosomes, such as in CF disease and other chloride channel disorders, severely compromises host defense against infection. We provide an overview of the roles that chloride plays in normal innate immunity, highlighting specific links between defective chloride channel function and failures in host defense.

  12. Ionic motion and Disordered Structure in the Rotator Phase of Butylammonium Chloride Studied by Temperature Dependences of 35Cl and 2H NMR

    NASA Astrophysics Data System (ADS)

    Hattori, Mineyuki; Onoda, Yoshito; Erata, Tomoki; Smith, M. E.; Hattori, Masakazu; Ohki, Hiroshi; Ikeda, Ryuichi

    1994-02-01

    Temperature dependences of 35Cl and 2H quadrupole coupling constants and 35Cl NMR spin-lat­tice relaxation times in polycrystalline samples were measured in the rotator phase of the butylammonium chlorides C4H9NH3C1 and C4H9ND3C1, obtainable above the phase transition temperature of 241 K. A rapid decrease o f the quadrupole coupling constants of both nuclei upon heating is attributed to increasing dynamic disorder formed around the polar head. The presence of self-diffussion of Cl- ions was revealed from the spin-spin relaxation time and resonance line-width in single crystals, and confirmed by measuring the dc electrical conductivity.

  13. (BMI)3LnCl6 crystals as models for the coordination environment of LnCl3 (Ln = Sm, Eu, Dy, Er, Yb) in 1-butyl-3-methylimidazolium chloride ionic-liquid solution.

    PubMed

    Han, Yulun; Lin, Cuikun; Meng, Qingguo; Dai, Fengrong; Sykes, Andrew G; Berry, Mary T; May, P Stanley

    2014-06-02

    A series of (BMI)3LnCl6 (Ln = Sm, Eu, Dy, Er, Yb) crystals was prepared from solutions of LnCl3 dissolved in the ionic liquid, 1-butyl-3-methylimidazolium chloride (BMICl). Crystals with Ln = 5% Sm + 95% Gd and with Ln = 5% Dy + 95% Gd were also grown to assess the importance of cross-relaxation in the Sm and Dy samples. The crystals are isostructural, with monoclinic space group P21/c and four formula units per unit cell. The first coordination sphere of Ln(3+) consists of six Cl(-) anions forming a slightly distorted octahedral LnCl6(3-) center. The second coordination sphere is composed of nine BMI(+) cations. The emission spectra and luminescence lifetimes of both (BMI)3LnCl6 crystals and LnCl3 in BMICl solution were measured. The spectroscopic similarities suggest that crystalline (BMI)3LnCl6 provides a good model of the Ln(3+) coordination environment in BMICl solution.

  14. Microemulsions with an ionic liquid surfactant and room temperature ionic liquids as polar pseudo-phase.

    PubMed

    Zech, Oliver; Thomaier, Stefan; Bauduin, Pierre; Rück, Thomas; Touraud, Didier; Kunz, Werner

    2009-01-15

    In this investigation we present for the first time microemulsions comprising an ionic liquid as surfactant and a room-temperature ionic liquid as polar pseudo-phase. Microemulsions containing the long- chain ionic liquid1-hexadecyl-3-methyl-imidazolium chloride ([C16mim][Cl]) as surfactant, decanol as cosurfactant, dodecaneas continuous phase and room temperature ionic liquids (ethylammonium nitrate (EAN) and 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim

  15. Dynamic Solvent Control of a Reaction in Ionic Deep Eutectic Solvents: Time-Resolved Fluorescence Measurements of Reactive and Nonreactive Dynamics in (Choline Chloride + Urea) Melts.

    PubMed

    Das, Anuradha; Biswas, Ranjit

    2015-08-06

    Dynamic fluorescence anisotropy and Stokes shift measurements of [f choline chloride + (1 - f) urea)] deep eutectic solvents at f = 0.33 and 0.40 have been carried out using a dipolar solute, coumarin 153 (C153), in the temperature range 298 ≤ T ≤ 333 K. Subsequently, measured time-dependent solvent response is utilized to investigate the dynamic solvent control on the measured rates of photoexcited intramolecular charge transfer (ICT) reactions of two molecules, 4-(1-azetidinyl)benzonitrile (P4C) and 4-(1-pyrrolidinyl)benzonitrile (P5C), occurring in these media. Measured average reaction time scales (⟨τ(rxn)⟩) exhibit the following dependence on average solvation times scales (⟨τ(s)⟩): ⟨τ(rxn)⟩ ∝ ⟨τ(s)⟩(α) with α = 0.5 and 0.35 for P4C and P5C, respectively. Such a strong dynamic solvent control of ⟨τ(rxn)⟩, particularly for P4C, is different from earlier observations with these ICT molecules in conventional molecular solvents. Excitation wavelength-dependent fluorescence emissions of C153 and trans-2-[4-(dimethylamino)styryl]-benzothiazole (DMASBT), which differ widely in average fluorescence lifetimes (⟨τ(life)⟩), suggest the presence of substantial spatial heterogeneity in these systems. Dynamic heterogeneity is reflected via the following fractional viscosity (η) dependences of ⟨τ(s)⟩ and ⟨τ(r)⟩ (⟨τ(r)⟩ being solute's average rotation time): ⟨τx⟩ ∝ (η/T)(p) with 0.7 ≤ p ≤ 0.9. Different correlations between ⟨τ(s)⟩ and ⟨τ(r)⟩ emerge at different temperature regimes, indicating variable frictional coupling at low and high temperatures. Estimated dynamic Stokes shifts in these media vary between ∼1200 and ∼1600 cm(-1), more than 50% of which possess a time scale much faster than the temporal resolution (∼75 ps) employed in these measurements. Estimated activation energy for η is closer to that for ⟨τ(r)⟩ than that for ⟨τ(s)⟩, suggesting ⟨τ(s)⟩ being more decoupled

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

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

    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 towards citronellal was achieved over a catalyst containing the alkaline ionic liquid benzalkonium methoxide.

  17. Chloride Test

    MedlinePlus

    ... of the imbalance. In persons with too much base, urine chloride measurements can tell the healthcare practitioner whether the cause ... healthcare practitioner will look at whether the chloride measurement changes ... an acid-base imbalance and helps to guide treatment. ^ Back to ...

  18. Employing ionic liquids to deposit cellulose on PET fibers.

    PubMed

    Textor, Torsten; Derksen, Leonie; Gutmann, Jochen S

    2016-08-01

    Several ionic liquids are excellent solvents for cellulose. Starting from that finishing of PET fabrics with cellulose dissolved in ionic liquids like 1-ethyl-3-methyl imidazolium acetate, diethylphosphate and chloride, or the chloride of butyl-methyl imidazolium has been investigated. Finishing has been carried out from solutions of different concentrations, using microcrystalline cellulose or cotton and by employing different cross-linkers. Viscosity of solutions has been investigated for different ionic liquids, concentrations, cellulose sources, linkers and temperatures. Since ionic liquids exhibit no vapor pressure, simple pad-dry-cure processes are excluded. Before drying the ionic liquid has to be removed by a rinsing step. Accordingly rinsing with fresh ionic liquid followed by water or the direct rinsing with water have been tested. The amount of cellulose deposited has been investigated by gravimetry, zinc chloride iodine test as well as reactive dyeing. Results concerning wettability, water up-take, surface resistance, wear-resistance or washing stability are presented.

  19. Ionic Blocks

    ERIC Educational Resources Information Center

    Sevcik, Richard S.; Gamble, Rex; Martinez, Elizabet; Schultz, Linda D.; Alexander, Susan V.

    2008-01-01

    "Ionic Blocks" is a teaching tool designed to help middle school students visualize the concepts of ions, ionic compounds, and stoichiometry. It can also assist high school students in reviewing their subject mastery. Three dimensional blocks are used to represent cations and anions, with color indicating charge (positive or negative) and size…

  20. Hydrogen chloride

    Integrated Risk Information System (IRIS)

    Hydrogen chloride ; CASRN 7647 - 01 - 0 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogeni

  1. Mepiquat chloride

    Integrated Risk Information System (IRIS)

    Mepiquat chloride ; CASRN 24307 - 26 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogen

  2. Acetyl chloride

    Integrated Risk Information System (IRIS)

    Acetyl chloride ; CASRN 75 - 36 - 5 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Ef

  3. Methyl chloride

    Integrated Risk Information System (IRIS)

    EPA / 635 / R01 / 003 TOXICOLOGICAL REVIEW OF METHYL CHLORIDE ( CAS No . 74 - 87 - 3 ) In Support of Summary Information on the Integrated Risk Information System ( IRIS ) June 2001 U.S . Environmental Protection Agency Washington , DC DISCLAIMER This document has been reviewed in accordance with U.

  4. Vinyl chloride

    Integrated Risk Information System (IRIS)

    EPA / 635R - 00 / 004 TOXICOLOGICAL REVIEW OF VINYL CHLORIDE ( CAS No . 75 - 01 - 4 ) In Support of Summary Information on the Integrated Risk Information System ( IRIS ) May 2000 U.S . Environmental Protection Agency Washington , DC DISCLAIMER This document has been reviewed in accordance with U.S

  5. Ethyl chloride

    Integrated Risk Information System (IRIS)

    Ethyl chloride ; CASRN 75 - 00 - 3 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Eff

  6. Benzyl chloride

    Integrated Risk Information System (IRIS)

    Benzyl chloride ; CASRN 100 - 44 - 7 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic E

  7. Allyl chloride

    Integrated Risk Information System (IRIS)

    Allyl chloride ; CASRN 107 - 05 - 1 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Ef

  8. Ionic Association Ion-Selective Electrode Experiment.

    ERIC Educational Resources Information Center

    Emara, Mostafa M.; And Others

    1979-01-01

    Describes an experiment that, using a commercially available solid-state selective electrode in conjunction with a pH-meter, determines the stability constants of sodium sulfate while varying the ionic strength of the media using sodium chloride. Detailed reproducible procedures of both the measurements and calculations are described. (BT)

  9. Reactions of Starch in Ionic Liquids

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We found that starches are found to be soluble at 80 ºC in ionic liquids such as 1-butyl-3-methylimidazolium chloride (BMIMCl) and 1-butyl-3-methylimidazolium dicyanamide (BMIMdca) in concentration up to 10% (w/w). Higher concentrations of biopolymers in these novel solvents resulted in solutions w...

  10. Dissolution of cellulose in ionic liquid: A review

    NASA Astrophysics Data System (ADS)

    Mohd, N.; Draman, S. F. S.; Salleh, M. S. N.; Yusof, N. B.

    2017-02-01

    Dissolution of cellulose with ionic liquids (IL) and deep eutectic solvent (DES) lets the comprehensive dissolution of cellulose. Basically, cellulose can be dissolved, in some hydrophilic ionic liquids, such as 1-butyl-3-methylimidazolium chloride (BMIMCl) and 1-allyl-3-methylimidazolium chloride (AMIMCl). Chloride based ionic liquids are suitable solvents for cellulose dissolution. Although the ILs is very useful in fine chemical industry, its application in the pharmaceutical and food industry have been very limited due to issues with toxicity, purity, and high cost. Seeing to these limitations, new green alternative solvent which is DES was used. This green solvents, may be definitely treated as the next-generation reagents for more sustainable industrial development. Thus, this review aims to discuss the dissolution of cellulose either with ionic liquids or DES and its application.

  11. Radiation stability of some room temperature ionic liquids

    NASA Astrophysics Data System (ADS)

    Jagadeeswara Rao, Ch.; Venkatesan, K. A.; Tata, B. V. R.; Nagarajan, K.; Srinivasan, T. G.; Vasudeva Rao, P. R.

    2011-05-01

    Radiation stability of some room temperature ionic liquids (RTILs) that find useful electrochemical applications in nuclear fuel cycle has been evaluated. The ionic liquids such as protonated betaine bis(trifluoromethylsulfonyl)imide (HbetNTf 2), aliquat 336 (tri-n-octlymethylammonium chloride), 1-butyl-3-methylimidazolium chloride (bmimCl), 1-hexyl-3-methylimidazolium chloride (hmimCl), N-butyl-N-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide (BMPyNTf 2) and N-methyl-N-propylpiperidinium bis(trifluoromethylsulfonyl)imide (MPPiNTf 2) have been irradiated to various absorbed dose levels, up to 700 kGy. The effect of gamma radiation on these ionic liquids has been evaluated by determining the variations in the physical properties such as color, density, viscosity, refractive index and electrochemical window. The changes in density, viscosity and refractive index of these ionic liquids upon irradiation were insignificant; however, the color and electrochemical window varied significantly with increase of absorbed dose.

  12. Thyroid status alters gill ionic metabolism and chloride cell morphology as evidenced by scanning electron microscopy in a teleost Anabas testudineus (Bloch): short and long term in vivo study.

    PubMed

    Sreejith, P; Beyo, R S; Prasad, G; Sunny, F; Oommen, O V

    2007-12-01

    Gill is the main organ of osmotic regulation in teleosts and chloride cells are the sites of ion transport across gill epithelium. Thyroid hormones are implicated in the regulation of osmotic balance in teleosts also. Treatment with 6-propyl thiouracil (6-PTU) inhibited the membrane bound enzyme Na+K+ ATPase in the gill while triiodothyronine (T3) injection stimulated it in a short-term in vivo study in the teleost Anabas testudineus. Na+, K+ and Ca2+ ions were also decreased in the 6-PTU treated fish and the T3 treatment increased their concentrations in the gill lamellae. The gill morphology also changed according to the thyroid status in the long term study. 6-PTU treatment altered the typical serrated morphology of the gill lamellae, while the T3 treatment reversed it. T3 injection increased the density of pavement and chloride cells as evidenced by scanning electron microscopy. The results demonstrate that physiological status of the thyroid influences gill Na+ pump activity and chloride cell morphological changes. Further, the study suggests a regulatory role of T3 on gill ions (Na+, K+ and Ca2+), Na+K+ and Ca2+ ATPase activity and the different gill cell types in A. testudineus.

  13. On Barium Oxide Solubility in Barium-Containing Chloride Melts

    NASA Astrophysics Data System (ADS)

    Nikolaeva, Elena V.; Zakiryanova, Irina D.; Bovet, Andrey L.; Korzun, Iraida V.

    2016-08-01

    Oxide solubility in chloride melts depends on temperature and composition of molten solvent. The solubility of barium oxide in the solvents with barium chloride content is essentially higher than that in molten alkali chlorides. Spectral data demonstrate the existence of oxychloride ionic groupings in such melts. This work presents the results of the BaO solubility in two molten BaCl2-NaCl systems with different barium chloride content. The received data together with earlier published results revealed the main regularities of BaO solubility in molten BaO-BaCl2-MCl systems.

  14. Advanced intermediate temperature sodium copper chloride battery

    NASA Astrophysics Data System (ADS)

    Yang, Li-Ping; Liu, Xiao-Min; Zhang, Yi-Wei; Yang, Hui; Shen, Xiao-Dong

    2014-12-01

    Sodium metal chloride batteries, also called as ZEBRA batteries, possess many merits such as low cost, high energy density and high safety, but their high operation temperature (270-350 °C) may cause several issues and limit their applications. Therefore, decreasing the operation temperature is of great importance in order to broaden their usage. Using a room temperature ionic liquid (RTIL) catholyte composed of sodium chloride buffered 1-ethyl-3-methylimidazolium chloride-aluminum chloride and a dense β″-aluminates solid electrolyte film with 500 micron thickness, we report an intermediate temperature sodium copper chloride battery which can be operated at only 150 °C, therefore alleviating the corrosion issues, improving the material compatibilities and reducing the operating complexities associated with the conventional ZEBRA batteries. The RTIL presents a high ionic conductivity (0.247 S cm-1) at 150 °C and a wide electrochemical window (-2.6 to 2.18 vs. Al3+/Al). With the discharge plateau at 2.64 V toward sodium and the specific capacity of 285 mAh g-1, this intermediate temperature battery exhibits an energy density (750 mWh g-1) comparable to the conventional ZEBRA batteries (728-785 mWh g-1) and superior to commercialized Li-ion batteries (550-680 mWh g-1), making it very attractive for renewable energy integration and other grid related applications.

  15. [Determination of Chloride Salt Solution by NIR Spectroscopy].

    PubMed

    Zhang, Bin; Chen, Jian-hong; Jiao, Ming-xing

    2015-07-01

    Determination of chloride salt solution by near infrared spectrum plays a very important role in Biomedicine. The near infrared spectrum analysis of Sodium chloride, potassium chloride, calcium chloride aqueous solution shows that the concentration change of chloride salt can affect hydrogen bond, resulting in the variation of near infrared spectrum of water. The temperature influence on NIR spectrum has been decreased by choosing reasonable wavelength range and the wavelength where the temperature effects are zero (isosbestic point). Chlorine salt prediction model was established based on partial least squares method and used for predicting the concentration of the chlorine ion. The impact on near infrared spectrum of the cation ionic radius, the number of ionic charge, the complex effect of ionic in water has also discussed in this article and the reason of every factor are analysed. Experimental results show that the temperature and concentration will affect the near-infrared spectrum of the solution, It is found that the effect of temperature plays the dominant role at low concentrations of chlorine salt; rather, the ionic dominates at high concentration. Chloride complexes are formed in aqueous solution, It has an effect on hydrogen bond of water combining with the cations in chlorine salt solution, Comparing different chloride solutions at the same concentration, the destruction effects of chloride complexes and catnions on the hydrogen bond of water increases in the sequences: CaCl2 >NaCl>KC. The modeling result shows that the determination coefficients (R2) = 99.97%, the root mean square error of cross validation (RM- SECV) = 4.51, and the residual prediction deviation (RPD) = 62.7, it meets the daily requirements of biochemical detection accuracy.

  16. Ionic Liquids Database- (ILThermo)

    National Institute of Standards and Technology Data Gateway

    SRD 147 Ionic Liquids Database- (ILThermo) (Web, free access)   IUPAC Ionic Liquids Database, ILThermo, is a free web research tool that allows users worldwide to access an up-to-date data collection from the publications on experimental investigations of thermodynamic, and transport properties of ionic liquids as well as binary and ternary mixtures containing ionic liquids.

  17. Separation of THF and water by room temperature ionic liquids.

    PubMed

    Hu, X; Yu, J; Liu, H

    2006-01-01

    Liquid-liquid equilibrium data are presented for mixtures of 1-(2-hydroxyethyl)-3-methylimidazolium chloride or tetrafluoroborate + tetrahydrofuran(THF) + water at 293.15 K. The data presented provides a valuable insight into how the environmentally friendly ionic liquid solvent can have the separation power of THF-water azeotropic systems. The sloping of the tie lines towards the THF vertex is investigated for mixtures of 1-(2-hydroxyethyl)-3-methylimidazolium chloride (or tetrafluoroborate) + THF + water. Selectivity values, derived from the tie line data, indicate that these two ionic liquids are suitable solvents for the liquid-liquid extraction of water from THF.

  18. Ionic Liquids to Replace Hydrazine

    NASA Technical Reports Server (NTRS)

    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.

  19. Short range effective potentials for ionic fluids

    NASA Astrophysics Data System (ADS)

    Clarke, J. H. R.; Smith, W.; Woodcock, L. V.

    1986-02-01

    It is shown that the structure of a simple ionic liquid, potassium chloride, can be reproduced in computer simulations using short range effective pair (SHREP) potentials of a simple form. Aside from the balance between like and unlike particle interactions, the important parameters determining the structure are the depth ɛ and the position r0 of the unlike particle pair energy minimum. The results demonstrate that the long range ordering characteristic of ionic liquids is not a consequence of the long range of Coulomb interactions. It is further shown that first order perturbation theory can be used accurately to calculate the thermodynamic properties of an ionic liquid from a corresponding reference liquid generated using a SHREP potential. These results can be generalized to explain deviations from the Reiss-Mayer-Katz corresponding states law for alkali halides and suggest an alternative scheme, effective depth reduction (EDR), based on values of ɛ for the gas phase ion pairs.

  20. CALCIUM CHLORIDE PLANT LOOKING EAST. CALCIUM CHLORIDE BUILDING IN CENTER, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    CALCIUM CHLORIDE PLANT LOOKING EAST. CALCIUM CHLORIDE BUILDING IN CENTER, CALCIUM CHLORIDE STORAGE BUILDING ON RIGHT WITH SA (SODA ASH) BUILDING IN RIGHT BACKGROUND. - Solvay Process Company, Calcium Chloride Plant, Between Willis & Milton Avenues, Solvay, Onondaga County, NY

  1. Surface sensitivity of secondary ion mass spectroscopy in the electronic sputtering regime

    NASA Astrophysics Data System (ADS)

    Nakajima, Kaoru; Miyashita, Motoki; Suzuki, Motofumi; Kimura, Kenji

    2014-08-01

    The secondary ions emitted from the surfaces of ionic liquids (ILs), 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([CnMIM][TFSI], n = 2, 6), were measured when 1 MeV H+ ions were incident on the surface at glancing angles of 2-6 mrad. Because the nuclear energy loss is negligible in the present case secondary ions cannot be emitted by simple elastic collisions. Instead, secondary ions were emitted after electronic excitation of the surface induced by the incident H+ ions. The intensities of the observed secondary ions originating from the [TFSI] anion for [C6MIM][TFSI] were much smaller in comparison with [C2MIM][TFSI]. Considering the known surface structures of these ILs, where [TFSI] anions in [C6MIM][TFSI] are located at slightly deeper positions than those in [C2MIM][TFSI], the present result indicates that SIMS can provide excellent surface sensitivity even in the electronic sputtering regime.

  2. Acidic Ionic Liquids.

    PubMed

    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.

  3. Glass ceramic ionic conductor materials and method of making

    SciTech Connect

    Badzioch, S.

    1985-03-26

    Solid, crystalline glass ceramic compositions which are useful as ionic conductor materials, especially for use as solid electrolytes in high temperature, high energy density storage batteries. The glass ceramics are derived from sodium or calcium borates containing one or more metal halide, preferably the chlorides and bromides of the metals from Group 2 to 8 of the Periodic Table of the Elements.

  4. Surfactant solvation effects and micelle formation in ionic liquids.

    PubMed

    Anderson, Jared L; Pino, Verónica; Hagberg, Erik C; Sheares, Valerie V; Armstrong, Daniel W

    2003-10-07

    The formation of micelles in 1-butyl-3-methyl imidazolium chloride (BMIM-Cl) and hexafluorophosphate (BMIM-PF6) were explored using different surfactants and the solvation behavior of the new micellar-ionic liquid solutions examined using inverse gas chromatography.

  5. Ionic liquid tunes microemulsion curvature.

    PubMed

    Liu, Liping; Bauduin, Pierre; Zemb, Thomas; Eastoe, Julian; Hao, Jingcheng

    2009-02-17

    Middle-phase microemulsions formed from cationic dioctadecyldimethylammonium chloride (DODMAC), anionic sodium dodecylsulfate (SDS), n-butanol, and n-heptane were studied. An ionic liquid (IL), 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]), was employed as the electrolyte in the aqueous media instead of inorganic salts usually used in microemulsion formulation. Studies have been carried out as a function of the concentrations of [bmim][BF4], n-butanol, total surfactant (cDODMAC+SDS), and temperature on the phase behavior and the ultralow interfacial tensions in which the anionic component is present in excess in the catanionic film. Ultralow interfacial tension measurements confirmed the formation of middle-phase microemulsions and the necessary conditions for stabilizing middle-phase microemulsions. Electrical conductivity, small-angle X-ray scattering (SAXS), and small-angle neutron scattering (SANS) experiments were also performed, indicating that the typical heptane domain size has an average radius of 360 A and the ionic liquid induces softening of the charged catanionic film. Most interestingly, the IL concentration (cIL) is shown to act as an effective interfacial curvature-control parameter, representing a new approach to tuning the formulation of microemulsions and emulsions. The results expand the potential uses of ILs but also point to the design of new ILs that may achieve superefficient control over interfacial and self-assembly systems.

  6. Radicals in ionic liquids.

    PubMed

    Strehmel, Veronika

    2012-05-14

    Stable radicals and recombination of photogenerated lophyl radicals are investigated in ionic liquids. The 2,2,6,6-tetramethylpiperidine-1-yloxyl derivatives contain various substituents at the 4-position to the nitroxyl group, including hydrogen-bond-forming or ionic substituents that undergo additional interactions with the individual ions of the ionic liquids. Some of these spin probes contain similar ions to ionic liquids to avoid counter-ion exchange with the ionic liquid. Depending on the ionic liquid anion, the Stokes-Einstein theory or the Spernol-Gierer-Wirtz theory can be applied to describe the temperature dependence of the average rotational correlation time of the spin probe in the ionic liquids. Furthermore, the spin probes give information about the micropolarity of the ionic liquids. In this context the substituent at the 4-position to the nitroxyl group plays a significant role. Covalent bonding of a spin probe to the imidazolium ion results in bulky spin probes that are strongly immobilized in the ionic liquid. Furthermore, lophyl radical recombination in the dark, which is chosen to understand the dynamics of bimolecular reactions in ionic liquids, shows a slow process at longer timescale and a rise time at a shorter timescale. Although various reactions may contribute to the slower process during lophyl radical recombination, it follows a second-order kinetics that does not clearly show solvent viscosity dependence. However, the rise time, which may be attributed to radical pair formation, increases with increasing solvent viscosity.

  7. Phosphonium chloride for thermal storage

    NASA Technical Reports Server (NTRS)

    Sutton, J. G.; Heimlich, P. F.; Tepper, E. H.

    1972-01-01

    Development of systems for storage of thermal energy is discussed. Application of phosphonium chloride for heat storage through reversible dissociation is described. Chemical, physical, and thermodynamic properties of phosphonium chloride are analyzed and dangers in using phosphonium chloride are explained.

  8. Chloride flux in phagocytes.

    PubMed

    Wang, Guoshun

    2016-09-01

    Phagocytes, such as neutrophils and macrophages, engulf microbes into phagosomes and launch chemical attacks to kill and degrade them. Such a critical innate immune function necessitates ion participation. Chloride, the most abundant anion in the human body, is an indispensable constituent of the myeloperoxidase (MPO)-H2 O2 -halide system that produces the potent microbicide hypochlorous acid (HOCl). It also serves as a balancing ion to set membrane potentials, optimize cytosolic and phagosomal pH, and regulate phagosomal enzymatic activities. Deficient supply of this anion to or defective attainment of this anion by phagocytes is linked to innate immune defects. However, how phagocytes acquire chloride from their residing environment especially when they are deployed to epithelium-lined lumens, and how chloride is intracellularly transported to phagosomes remain largely unknown. This review article will provide an overview of chloride protein carriers, potential mechanisms for phagocytic chloride preservation and acquisition, intracellular chloride supply to phagosomes for oxidant production, and methods to measure chloride levels in phagocytes and their phagosomes.

  9. Ion mixing, hydration, and transport in aqueous ionic systems

    SciTech Connect

    Tse, Ying-Lung Steve; Voth, Gregory A.; Witten, Thomas A.

    2015-05-14

    The enhancement effect on the ion mobility of fluoride (and that of chloride) in a polycationic system, as the chloride content increases, is shown to also exist in other more simple ionic systems with cations such as the cesium ion and an organic ammonium ion. As the chloride content increases, in addition to the finding that there is more unbound water associated with the cation, we also observe that the average lifetime of a hydrogen bond decreases. This change to the hydrogen bonds is correlated to significant changes to both the structural and dynamical properties of water. The more disordered water structure and faster water dynamics are hypothesized to be also responsible for the enhanced ion mobilities. Furthermore, when either the chloride content or hydration level is changed, the self-diffusion constant of each co-ion changes by almost the same factor, implying the existence of a single universal transport mechanism that determines ion mobilities.

  10. CALCIUM CHLORIDE PLANT LOOKING EAST. CALCIUM CHLORIDE BUILDING ON LEFT, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    CALCIUM CHLORIDE PLANT LOOKING EAST. CALCIUM CHLORIDE BUILDING ON LEFT, CALCIUM CHLORIDE STORAGE BUILDING ON RIGHT OF CENTER WITH TOP OF SA (SODA ASH) BUILDING IN RIGHT BACKGROUND. - Solvay Process Company, Calcium Chloride Plant, Between Willis & Milton Avenues, Solvay, Onondaga County, NY

  11. Chloride in diet

    MedlinePlus

    Institute of Medicine. Food and Nutrition Board. Dietary Reference Intakes for Water, Potassium, Sodium, Chloride, and Sulfate. National Academy Press, Washington, DC: 2005. PMID: 101209392 www.ncbi.nlm.nih.gov/nlmcatalog/101209392 Mason JB. Vitamins, trace ...

  12. Hydrogen chloride test set

    NASA Technical Reports Server (NTRS)

    Workman, G. L.

    1976-01-01

    Detector uses tertiary amine, which makes reaction fairly specific for relatively small highly polarized hydrogen chloride molecule. Reaction is monitored by any microbalance capable of measuring extremely small mass differences in real time.

  13. Mercuric chloride poisoning

    MedlinePlus

    ... Mercuric chloride is a very poisonous form of mercury. It is a type of mercury salt. There are different types of mercury poisonings . This article discusses poisoning from swallowing mercuric ...

  14. Strontium-89 Chloride

    MedlinePlus

    ... ever had bone marrow disease, blood disorders, or kidney disease.you should know that strontium-89 chloride may interfere with the normal menstrual cycle (period) in women and may stop sperm production ...

  15. Modeling of ionic liquids

    NASA Astrophysics Data System (ADS)

    Tatlipinar, Hasan

    2017-02-01

    Ionic liquids are very important entry to industry and technology. Because of their unique properties they may classified as a new class of materials. IL usually classified as a high temperature ionic liquids (HTIL) and room temperature ionic liquids (RTIL). HTIL are molten salts. There are many research studies on molten salts such as recycling, new energy sources, rare elements mining. RTIL recently become very important in daily life industry because of their "green chemistry" properties. As a simple view ionic liquids consist of one positively charged and one negatively charged components. Because of their Coulombic or dispersive interactions the local structure of ionic liquids emerges. In this presentation the local structural properties of the HTIL are discussed via correlation functions and integral equation theories. RTIL are much more difficult to do modeling, but still general consideration for the modeling of the HTIL is valid also for the RTIL.

  16. Preparation of AgX (X = Cl, I) nanoparticles using ionic liquids.

    PubMed

    Rodil, Eva; Aldous, Leigh; Hardacre, Christopher; Lagunas, M Cristina

    2008-03-12

    Nanoparticles of silver halides have been prepared by mixing silver halide powder with a single liquid phase consisting of an ionic liquid, isooctane, n-decanol and water. Much higher nanoparticle concentrations may be formed with ionic liquids using this new simple method than are found with conventionally applied surfactants. This method also emphasizes the applicability of ionic liquids as versatile components in microemulsions and as solvents for the synthesis of nanomaterials. The effect on the nanoparticles of changing the composition of the liquid mixtures and the nature of the ionic liquid is analysed. High nanoparticle concentrations were only found with chloride based ionic liquids, indicating the importance of the ionic liquid anion in the mechanism of the reaction.

  17. Preparation of AgX (X = Cl, I) nanoparticles using ionic liquids

    NASA Astrophysics Data System (ADS)

    Rodil, Eva; Aldous, Leigh; Hardacre, Christopher; Lagunas, M. Cristina

    2008-03-01

    Nanoparticles of silver halides have been prepared by mixing silver halide powder with a single liquid phase consisting of an ionic liquid, isooctane, n-decanol and water. Much higher nanoparticle concentrations may be formed with ionic liquids using this new simple method than are found with conventionally applied surfactants. This method also emphasizes the applicability of ionic liquids as versatile components in microemulsions and as solvents for the synthesis of nanomaterials. The effect on the nanoparticles of changing the composition of the liquid mixtures and the nature of the ionic liquid is analysed. High nanoparticle concentrations were only found with chloride based ionic liquids, indicating the importance of the ionic liquid anion in the mechanism of the reaction.

  18. Molecularly imprinted SPE coupled with HPLC for the selective separation and enrichment of alkyl imidazolium ionic liquids in environmental water samples.

    PubMed

    Xia, Gao; Jing, Fan; Guifen, Zhu; Xiaolong, Wang; Jianji, Wang

    2013-10-01

    A novel 1-butyl-3-methylimidazolium chloride ionic liquid surface imprinted solid-phase sorbent was synthesized. The as-prepared material was characterized by SEM, Brunauer-Emmett-Teller surface area analysis and Fourier Transform IR measurements. Then its adsorption properties for alkyl imidazolium ionic liquids, including adsorption capacities, adsorption kinetics, and properties of selective separation and enrichment were studied in detail. It was shown that the ionic liquid surface imprinted polymer exhibited high selective recognition characteristics for the imidazolium chloride ionic liquids with short alkyl chains (C(n)mimCl, n = 2, 4, 6, 8) and the adsorption equilibrium was achieved within 25 min. Various parameters were optimized for the 1-butyl-3-methylimidazolium chloride ionic liquid surface imprinted polymer SPE column, such as flow rate, eluent solvent, selectivity, and reusability of the column. Then, the SPE column coupled with HPLC was used for the determination of alkyl imidazolium ionic liquids. Experimental results showed that the existence of their structural analogs and common concomitants in environmental matrices did not affect the enrichment of 1-butyl-3-methyl imidazolium chloride ionic liquid. The average recoveries of 1-butyl-3-methylimidazolium chloride ionic liquid in spiked water samples were in the range of 92.0-102.0% with the RSD lower than 5.8%.

  19. CHLORIDE RETENTION IN EXPERIMENTAL HYDRONEPHROSIS

    PubMed Central

    Keith, Norman M.; Pulford, D. Schuyler

    1923-01-01

    1. In acute experimental hydronephrosis chloride retention occurs as well as retention of water, urea, and phenolsulfonephthalein. 2. If both water and chlorides are retained there may be no appreciable rise in the plasma chloride content. 3. When chlorides are retained, but not water, the chloride content of the plasma rises strikingly. 4. After the removal of the ureteral obstruction in acute hydronephrosis all renal functions, water, urea, and chloride excretion, may be rapidly restored in equal degree, or the chlorides may be retained temporarily while there is free excretion of water and urea. 5. In chronic hydronephrosis adequate daily excretion of urea and chlorides may be maintained by a compensatory polyuria. 6. Chloride retention or an abnormal chloride excretion may occur in certain renal lesions when there is no change in the urea, phenolsulfonephthalein, or water excretion. PMID:19868720

  20. An Electrochemical and Infrared Study of Chloranil in n-Butylpyridinium Chloride: Aluminum Chloride Ionic Liquid.

    DTIC Science & Technology

    1982-06-01

    this species appeared to be approximately 17% that of the tetrachlorohydroquinone. This result indicates that some Friedel - Crafts substitution of...phenyl for chlorine has occurred prior to reduction. Since only one chlorine was substituted in this manner, it is evident that the Friedel - Crafts

  1. Cyclic Voltammetry of Silver Chloride in Lithium Chloride-Potassium Chloride Eutectic.

    DTIC Science & Technology

    TRY), Fused salts, Silver, Reduction(Chemistry), Dissolving, ChloridesSilver chloride, Cyclic voltammetry , *VoltammetryThe technique of cyclic ... voltammetry was employed to study the deposition and dissolution of silver metal at platinum wire electrodes in molten lithium chloride-potassium chloride

  2. Ionic liquids in tribology.

    PubMed

    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.

  3. Applications of ionic liquids.

    PubMed

    Patel, Divia Dinesh; Lee, Jong-Min

    2012-06-01

    Ionic liquids have recently gained popularity in the scientific community owing to their special properties and characteristics. One of the reasons why ionic liquids have been termed "green solvents" is due to their negligible vapour pressure. Their use in electrochemical, biological and metal extraction applications is discussed. Wide research has been carried out for their use in batteries, solar panels, fuel cells, drug deliveries and biomass pretreatments. This work aims to consolidate the various findings from previous works in these areas.

  4. Chloride removal from vitrification offgas

    SciTech Connect

    Slaathaug, E.J.

    1995-06-01

    This study identified and investigated techniques of selectively purging chlorides from the low-level waste (LLW) vitrification process with the purge stream acceptable for burial on the Hanford Site. Chlorides will be present in high concentration in several individual feeds to the LLW Vitrification Plant. The chlorides are highly volatile in combustion type melters and are readily absorbed by wet scrubbing of the melter offgas. The Tank Waste Remediation System (TWRS) process flow sheets show that the resulting chloride rich scrub solution is recycled back to the melter. The chlorides must be purged from the recycle loop to prevent the buildup of excessively high chloride concentrations.

  5. Moxifloxacinium chloride monohydrate

    PubMed Central

    Qian, Jing-Jing; Gu, Jian-Ming; Shen, Jin; Hu, Xiu-Rong; Wu, Su-Xiang

    2011-01-01

    The title compound {systematic name: 7-[(1S,6S)-8-aza-2-azonia­bicyclo­[4.3.0]non-8-yl]-1-cyclo­propyl-6-fluoro-8-meth­oxy-4-oxo-1,4-dihydro­quinoline-3-carb­oxy­lic acid chloride monohydrate}, C21H25FN3O4 +·Cl−·H2O, crystallizes with two moxi­floxa­cinium cations, two chloride ions and two uncoordinated water mol­ecules in the unit cell. The crystal structure has a pseudo-inversion center except for the chloride ions. In both moxi­floxa­cinium cations, the quinoline rings are approximately planar, the maximum atomic deviations being 0.107 (3) and 0.118 (3) Å. The piperidine rings adopt a chair conformation while the pyrrolidine rings display a half-chair conformation. In the crystal, the carboxyl groups, the protonated piperidyl groups, the uncoordinated water mol­ecule and chloride anions participate in O—H⋯O, O—H⋯Cl and N—H⋯Cl hydrogen bonding; weak inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonding is also present in the crystal structure. PMID:22058817

  6. Are Ionic Liquids Chemically Stable?

    PubMed

    Wang, Binshen; Qin, Li; Mu, Tiancheng; Xue, Zhimin; Gao, Guohua

    2017-02-27

    Ionic liquids have attracted a great deal of interest in recent years, illustrated by their applications in a variety of areas involved with chemistry, physics, biology, and engineering. Usually, the stabilities of ionic liquids are highlighted as one of their outstanding advantages. However, are ionic liquids really stable in all cases? This review covers the chemical stabilities of ionic liquids. It focuses on the reactivity of the most popular imidazolium ionic liquids at structural positions, including C2 position, N1 and N3 positions, and C4 and C5 positions, and decomposition on the imidazolium ring. Additionally, we discuss decomposition of quaternary ammonium and phosphonium ionic liquids and hydrolysis and nucleophilic reactions of anions of ionic liquids. The review aims to arouse caution on potential decomposition of ionic liquids and provides a guide for better utilization of ionic liquids.

  7. Photochemical switching of ionic conductivity in composite films containing a crowned spirobenzopyran

    SciTech Connect

    Kimura, Keiichi; Yamashita, Takashi; Yokoyama, Masaaki

    1992-06-25

    Photochemical switching of ionic conductivity in vinyl chloride films with LiClO{sub 4} and a crowned spirobenzopyran revealed isomerization of the crowned spirobenzopyran to its merocyanine form proceeding under UV-irradiated or dark conditions to decrease the the film`s Li{sup +} ionic conductivity in this paper. Visible-light irradiation caused isomerization back to the spiropyran form and restoration of ionic conductivity to its original value; switching the visible light on and off caused 20-fold changes. 10 refs., 7 figs.

  8. Discovering less toxic ionic liquids by using the Microtox® toxicity test.

    PubMed

    Hernández-Fernández, F J; Bayo, J; Pérez de los Ríos, A; Vicente, M A; Bernal, F J; Quesada-Medina, J

    2015-06-01

    New Microtox® toxicity data of 16 ionic liquids of different cationic and anionic composition were determined. The ionic liquids 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate, [BMPyr(+)][TFO(-)], 1-butyl-1-methylpyrrolidinium chloride, [BMPyr(+)][Cl(-)], hydroxypropylmethylimidazolium fluoroacetate, [HOPMIM(+)][FCH2COO(-)], and hydroxypropylmethylimidazolium glycolate [HOPMIM(+)][glycolate(-)] were found to be less toxic than conventional organic solvent such as chloroform or toluene, accoding the Microtox® toxicity assays. The toxicity of pyrrolidinium cation was lower than the imidazolium and pyridinium ones. It was found that the inclusion of an hydroxyl group in the alkyl chain length of the cation also reduce the toxicity of the ionic liquid. To sum up, the Microtox® toxicity assays can be used as screening tool to easily determined the toxicity of a wide range of ionic liquids and the toxicity data obtained could allow the obtention of structure-toxicity relationships to design less toxic ionic liquids.

  9. Stretchable, transparent, ionic conductors.

    PubMed

    Keplinger, Christoph; Sun, Jeong-Yun; Foo, Choon Chiang; Rothemund, Philipp; Whitesides, George M; Suo, Zhigang

    2013-08-30

    Existing stretchable, transparent conductors are mostly electronic conductors. They limit the performance of interconnects, sensors, and actuators as components of stretchable electronics and soft machines. We describe a class of devices enabled by ionic conductors that are highly stretchable, fully transparent to light of all colors, and capable of operation at frequencies beyond 10 kilohertz and voltages above 10 kilovolts. We demonstrate a transparent actuator that can generate large strains and a transparent loudspeaker that produces sound over the entire audible range. The electromechanical transduction is achieved without electrochemical reaction. The ionic conductors have higher resistivity than many electronic conductors; however, when large stretchability and high transmittance are required, the ionic conductors have lower sheet resistance than all existing electronic conductors.

  10. Radiolytic preparation of anhydrous tin (2) chloride

    NASA Technical Reports Server (NTRS)

    Philipp, W. H.; Marsik, S. J.

    1973-01-01

    Anhydrous tin (2) chloride (SnCl2) is prepared by radiolysis with high energy electrons of a tin (4) chloride (SnCl4) solution in heptane. The SnCl4 is reduced to insoluble SNCl2. The energy yield, G(SnCl2), molecules of SnCl2, produced per 100 eV, increases with SnCl4 concentration from 1.6 at 0.15 M SnCl4 to 3.1 at 3.0 M SnCl4. Other parameters such as temperature total dose and beam current have little influence on G(SnCl2). The method may be used to prepare other metal halides if the higher valence, more covalent metal halide is soluble in aliphatic hydrocarbons and the lower more ionic metal halide is insoluble. The reaction mechanism is discussed; the radiolysis of both heptane and SnCl4 is involved. At high SnCl4 concentration G(SnCl2) appears to be limited by the yield of SnC13 radicals.

  11. A Quick Reference on Chloride.

    PubMed

    Bohn, Andrea A; de Morais, Helio Autran

    2017-03-01

    Chloride is an essential element, playing important roles in digestion, muscular activity, regulation of body fluids, and acid-base balance. As the most abundant anion in extracellular fluid, chloride plays a major role in maintaining electroneutrality. Chloride is intrinsically linked to sodium in maintaining osmolality and fluid balance and has an inverse relationship with bicarbonate in maintaining acid-base balance. It is likely because of these close ties that chloride does not get the individual attention it deserves; we can use these facts to simplify and interpret changes in serum chloride concentrations.

  12. Polymerizable ionic liquid crystals.

    PubMed

    Jazkewitsch, Olga; Ritter, Helmut

    2009-09-17

    Polymerizable vinylimidazolium ionic liquids (ILs) that contain mesogenic coumarin and biphenyl units, respectively, have been synthesized. The N-alkylation of N-vinylimidazole with bromoalkylated mesogenic units 7-(6-bromohexyloxy)coumarin (1) and 4,4'-bis(6-bromohexyloxy)biphenyl (2) was then carried out. The thermal behavior of the obtained ILs 3 and 4 was investigated by differential scanning calorimetry and polarizing optical microscopy. These measurements showed that the attached mesogenic units induce the self-assembly of ILs and, therefore, the occurrence of liquid crystalline phases. Subsequently, the ionic liquid crystals (ILCs) 3 and 4 were polymerized by a free-radical mechanism.

  13. Ionic liquids in chemical engineering.

    PubMed

    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.

  14. Chloride channels as drug targets

    PubMed Central

    Verkman, Alan S.; Galietta, Luis J. V.

    2013-01-01

    Chloride channels represent a relatively under-explored target class for drug discovery as elucidation of their identity and physiological roles has lagged behind that of many other drug targets. Chloride channels are involved in a wide range of biological functions, including epithelial fluid secretion, cell-volume regulation, neuroexcitation, smooth-muscle contraction and acidification of intracellular organelles. Mutations in several chloride channels cause human diseases, including cystic fibrosis, macular degeneration, myotonia, kidney stones, renal salt wasting and hyperekplexia. Chloride-channel modulators have potential applications in the treatment of some of these disorders, as well as in secretory diarrhoeas, polycystic kidney disease, osteoporosis and hypertension. Modulators of GABAA (γ-aminobutyric acid A) receptor chloride channels are in clinical use and several small-molecule chloride-channel modulators are in preclinical development and clinical trials. Here, we discuss the broad opportunities that remain in chloride-channel-based drug discovery. PMID:19153558

  15. Straightforward glycosylation of alcohols and amino acids mediated by ionic liquid.

    PubMed

    Monasson, Olivier; Sizun-Thomé, Gwenaëlle; Lubin-Germain, Nadège; Uziel, Jacques; Augé, Jacques

    2012-05-01

    Green glycosylation of functionalized alcohols and α-amino acids, using an ionic liquid as a recyclable solvent, was performed in one step directly from the unprotected monosaccharide under scandium triflate or ferric chloride catalysis. Pure α- and β-glycosides could be obtained after specific enzymatic hydrolysis.

  16. Ab initio molecular dynamics simulations of a binary system of ionic liquids.

    PubMed

    Brüssel, Marc; Brehm, Martin; Voigt, Thomas; Kirchner, Barbara

    2011-08-14

    This work presents first insights into the structural properties of a binary mixture of ionic liquids from the perspective of ab initio molecular dynamics simulations. Simulations were carried out for a one-to-one mixture of 1-ethyl-3-methyl-imidazolium thiocyanate and 1-ethyl-3-methyl-imidazolium chloride and compared to pure 1-ethyl-3-methyl-imidazolium thiocyanate.

  17. Preparation and characterization of nonaqueous proton-conducting membranes with protic ionic liquids.

    PubMed

    Lu, Fei; Gao, Xinpei; Yan, Xiaojun; Gao, Hejun; Shi, Lijuan; Jia, Han; Zheng, Liqiang

    2013-08-14

    Hybrid Nafion membranes were successfully fabricated by incorporating with protic imidazolium ionic liquids 1-(2-aminoethyl)-3-methylimidazolium chloride ([MimAE]Cl), 1-(2-hydroxylethyl)-3-methylimidazolium chloride ([MimHE]Cl), and 1-carboxylmethyl-3-methylimidazolium chloride ([MimCM]Cl) for high-temperature fuel cells. The composite membranes were characterized by impedance spectroscopy, small-angle X-ray scattering (SAXS), scanning electronic microscopy (SEM), and thermogravimetric analysis (TGA). The incorporated protic ionic liquids enhance the doping of phosphoric acid (PA) and result in a relatively high ionic conductivity. The Nafion/10 wt % [MimAE]Cl/PA composite membrane exhibits an ionic conductivity of 6.0 mS/cm at 130 °C without humidification. [MimAE]Cl can swell the Nafion matrix more homogeneously than [MimHE]Cl or [MimCM]Cl, which results in a better ionic conductivity. It is notable that the composite Nafion/IL/PA membranes have a better thermal stability than the pristine Nafion membranes.

  18. Highly stretchable, transparent ionic touch panel

    NASA Astrophysics Data System (ADS)

    Kim, Chong-Chan; Lee, Hyun-Hee; Oh, Kyu Hwan; Sun, Jeong-Yun

    2016-08-01

    Because human-computer interactions are increasingly important, touch panels may require stretchability and biocompatibility in order to allow integration with the human body. However, most touch panels have been developed based on stiff and brittle electrodes. We demonstrate an ionic touch panel based on a polyacrylamide hydrogel containing lithium chloride salts. The panel is soft and stretchable, so it can sustain a large deformation. The panel can freely transmit light information because the hydrogel is transparent, with 98% transmittance for visible light. A surface-capacitive touch system was adopted to sense a touched position. The panel can be operated under more than 1000% areal strain without sacrificing its functionalities. Epidermal touch panel use on skin was demonstrated by writing words, playing a piano, and playing games.

  19. Synthesis of ionic liquids

    DOEpatents

    Dai, Sheng; Luo, Huimin

    2011-11-01

    Ionic compounds which are liquids at room temperature are formed by the method of mixing a neutral organic ligand with the salt of a metal cation and its conjugate anion. The liquids are hydrophobic, conductive and stable and have uses as solvents and in electrochemical devices.

  20. Synthesis of ionic liquids

    DOEpatents

    Dai, Sheng [Knoxville, TN; Luo, Huimin [Knoxville, TN

    2008-09-09

    Ionic compounds which are liquids at room temperature are formed by the method of mixing a neutral organic liqand with the salt of a metal cation and its conjugate anion. The liquids are hydrophobic, conductive and stable and have uses as solvents and in electrochemical devices.

  1. Fun with Ionic Compounds

    ERIC Educational Resources Information Center

    Logerwell, Mollianne G.; Sterling, Donna R.

    2007-01-01

    Ionic bonding is a fundamental topic in high school chemistry, yet it continues to be a concept that students struggle to understand. Even if they understand atomic structure and ion formation, it can be difficult for students to visualize how ions fit together to form compounds. This article describes several engaging activities that help…

  2. Anoctamin Calcium-Activated Chloride Channels May Modulate Inhibitory Transmission in the Cerebellar Cortex.

    PubMed

    Zhang, Weiping; Schmelzeisen, Steffen; Parthier, Daniel; Frings, Stephan; Möhrlen, Frank

    2015-01-01

    Calcium-activated chloride channels of the anoctamin (alias TMEM16) protein family fulfill critical functions in epithelial fluid transport, smooth muscle contraction and sensory signal processing. Little is known, however, about their contribution to information processing in the central nervous system. Here we examined the recent finding that a calcium-dependent chloride conductance impacts on GABAergic synaptic inhibition in Purkinje cells of the cerebellum. We asked whether anoctamin channels may underlie this chloride conductance. We identified two anoctamin channel proteins, ANO1 and ANO2, in the cerebellar cortex. ANO1 was expressed in inhibitory interneurons of the molecular layer and the granule cell layer. Both channels were expressed in Purkinje cells but, while ANO1 appeared to be retained in the cell body, ANO2 was targeted to the dendritic tree. Functional studies confirmed that ANO2 was involved in a calcium-dependent mode of ionic plasticity that reduces the efficacy of GABAergic synapses. ANO2 channels attenuated GABAergic transmission by increasing the postsynaptic chloride concentration, hence reducing the driving force for chloride influx. Our data suggest that ANO2 channels are involved in a Ca2+-dependent regulation of synaptic weight in GABAergic inhibition. Thus, in balance with the chloride extrusion mechanism via the co-transporter KCC2, ANO2 appears to regulate ionic plasticity in the cerebellum.

  3. Anoctamin Calcium-Activated Chloride Channels May Modulate Inhibitory Transmission in the Cerebellar Cortex

    PubMed Central

    Parthier, Daniel; Frings, Stephan; Möhrlen, Frank

    2015-01-01

    Calcium-activated chloride channels of the anoctamin (alias TMEM16) protein family fulfill critical functions in epithelial fluid transport, smooth muscle contraction and sensory signal processing. Little is known, however, about their contribution to information processing in the central nervous system. Here we examined the recent finding that a calcium-dependent chloride conductance impacts on GABAergic synaptic inhibition in Purkinje cells of the cerebellum. We asked whether anoctamin channels may underlie this chloride conductance. We identified two anoctamin channel proteins, ANO1 and ANO2, in the cerebellar cortex. ANO1 was expressed in inhibitory interneurons of the molecular layer and the granule cell layer. Both channels were expressed in Purkinje cells but, while ANO1 appeared to be retained in the cell body, ANO2 was targeted to the dendritic tree. Functional studies confirmed that ANO2 was involved in a calcium-dependent mode of ionic plasticity that reduces the efficacy of GABAergic synapses. ANO2 channels attenuated GABAergic transmission by increasing the postsynaptic chloride concentration, hence reducing the driving force for chloride influx. Our data suggest that ANO2 channels are involved in a Ca2+-dependent regulation of synaptic weight in GABAergic inhibition. Thus, in balance with the chloride extrusion mechanism via the co-transporter KCC2, ANO2 appears to regulate ionic plasticity in the cerebellum. PMID:26558388

  4. Reclamation of niobium compounds from ionic liquid electrochemical polishing of superconducting radio frequency cavities

    SciTech Connect

    Wixtrom, Alex I.; Buhler, Jessica E.; Reece, Charles E.; Abdel-Fattah, Tarek M.

    2013-06-01

    Recent research has shown that choline chloride (vitamin B4)-based solutions can be used as a greener alternative to acid-based electrochemical polishing solutions. This study demonstrated a successful method for electrochemical deposition of niobium compounds onto the surface of copper substrates using a novel choline chloride-based ionic liquid. Niobium ions present in the ionic liquid solution were dissolved into the solution prior to deposition via electrochemical polishing of solid niobium. A black coating was clearly visible on the surface of the Cu following deposition. This coating was analyzed using scanning electron microscopy (SEM), electron dispersive X-ray spectroscopy (EDX), atomic force microscopy (AFM), and X-ray fluorescence spectroscopy (XRF). This ionic liquid-based electrochemical deposition method effectively recycles previously dissolved niobium from electrochemical polishing of superconducting radio frequency (SRF) cavities.

  5. Ionic Channels in Thunderclouds

    NASA Astrophysics Data System (ADS)

    Losseva, T. V.; Fomenko, A. S.; Nemtchinov, I. V.

    2007-12-01

    We proceed to study the formation and propagation of ionic channels in thunderclouds in the framework of the model of the corona discharge wave propagation (Fomenko A.S., Losseva T.V., Nemtchinov I.V. The corona discharge waves in thunderclouds and formation of ionic channels // 2004 Fall Meeting. EOS Trans. AGU. 2004. V. 85. ¹ 47. Suppl. Abstract AE23A-0835.). In this model we proposed a hypothesis that the structure of a thundercloud becomes nonuniform due to corona discharge on the drops and ice particles and formation of ionic channels with higher conductivity than the surrounding air. When the onset strength of corona discharge becomes smaller than the electric field strength the corona discharge increases concentrations of ions in a small part of the cloud (a hot spot). An additional charge at opposite ends of the hot spot forms due to polarization process. The increased electric field initiates corona discharge in other parts of the cloud on ice particles and water drops with smaller sizes. The corona discharge front moves as a wave with the velocity of the order of ion drift and formes a highly conductive channel. We model this non-stationary problem with Poisson equation which is solved simultaneously with a simplified set of kinetic equations for ions, small charged particles and electrons (at high electric fields), including ionization due to electronic impact, attachment and formation of positive ions. By applying 3D numerical simulations we obtain the parameters of formed ionic channels with respect to onset electric fields both from large particles (in hot spot) and from small particles (surrounding hot spot), microscopic currents from particles with different sizes and the external electric field in the cloud. The interaction of ionic channels is also investigated. This work was supported by Russian Foundation of Basic Research (Project No 07-05-00998-à).

  6. Heat stability of milk supplemented with calcium chloride.

    PubMed

    On-Nom, N; Grandison, A S; Lewis, M J

    2012-04-01

    Calcium chloride (0-25 mM) was added to skim milk powder that was reconstituted to 9% total solids. Heat stability was evaluated between 60 and 120°C for different times by observing whether samples had coagulated, and by measuring the amount of sediment and residual protein in the centrifuged supernatant. Milk samples were also dialyzed during their respective heat treatments to recover the soluble phase at different temperatures to measure pH and ionic calcium. The transition conditions between good and poor heat stability were established for different calcium chloride concentrations and temperatures. As temperature increased, coagulation occurred at lower levels of added calcium chloride. The transition was quite distinct at higher temperatures but less so at lower temperatures; it was initiated by an increase in sediment formation before a firm coagulum was formed. Both pH and ionic calcium decreased in dialysates as temperature increased. No coagulation was observed if Ca(2+) was <0.5 mM and pH was >6.3 in dialysates taken at their respective coagulation temperatures. Being able to measure pH and ionic calcium at high temperatures will allow better understanding of factors affecting heat stability. Electrophoresis of the supernatants permitted identification of the protein fractions participating in the coagulation process. When coagulation was observed below 80°C, substantial amounts of undenatured β-lactoglobulin and α-lactalbumin were found in the supernatant, as well as some soluble casein fractions. All the major whey protein and casein fractions were found in the sediment.

  7. Oxomemazine hydro-chloride.

    PubMed

    Siddegowda, M S; Butcher, Ray J; Akkurt, Mehmet; Yathirajan, H S; Ramesh, A R

    2011-08-01

    IN THE TITLE COMPOUND [SYSTEMATIC NAME: 3-(5,5-dioxo-phen-othia-zin-10-yl)-N,N,2-trimethyl-propanaminium chloride], C(18)H(23)N(2)O(2)S(+)·Cl(-), the dihedral angle between the two outer aromatic rings of the phenothia-zine unit is 30.5 (2)°. In the crystal, the components are linked by N-H⋯Cl and C-H⋯Cl hydrogen bonds and C-H⋯π inter-actions.

  8. Sensitivity of Superfolder GFP to Ionic Agents

    PubMed Central

    Stepanenko, Olesya V.; Stepanenko, Olga V.; Kuznetsova, Irina M.; Verkhusha, Vladislav V.; Turoverov, Konstantin K.

    2014-01-01

    Superfolder variant of the green fluorescent protein (sfGFP) became a favorite probe for examination of the unfolding–refolding processes of fluorescent proteins with beta-barrel structure owing to its reversible unfolding in comparison with other fluorescent proteins. Its benefit is the proper folding even in fusion constructions with poorly folded polypeptides. We noticed that guanidine thiocyanate affects not only the structure of protein but its chromophore directly. Therefore we studied the influence of ionic denaturants and salts including guanidine thiocyanate, guanidine hydrochloride, sodium chloride and sodium thiocyanate on spectral features of sfGFP. It was shown that moderate amounts of the studied agents do not disrupt sfGFP structure but provoke pronounced alteration of its spectral characteristics. Changes in absorption and CD spectra in visible spectral range indicate the specific binding of SCN− and Cl− anions in the sfGFP chromophore vicinity. The anion binding results in the redistribution of sfGFP molecules with neutral and anionic chromophores. This also hinders the proton transfer in the chromophore excited state, considerably decreasing the fluorescence intensity of sfGFP. Our results indicate that when ionic denaturants are used in the studies of fluorescent protein folding their effect on fluorophore charge state should be taken into account. PMID:25347822

  9. Efficient separation of transition metals from rare earths by an undiluted phosphonium thiocyanate ionic liquid.

    PubMed

    Rout, Alok; Binnemans, Koen

    2016-06-21

    The ionic liquid trihexyl(tetradecyl)phosphonium thiocyanate has been used for the extraction of the transition metal ions Co(ii), Ni(ii), Zn(ii), and the rare-earth ions La(iii), Sm(iii) and Eu(iii) from aqueous solutions containing nitrate or chloride salts. The transition metal ions showed a high affinity for the ionic liquid phase and were efficiently extracted, while the extraction efficiency of the rare-earth ions was low. This difference in extraction behavior enabled separation of the pairs Co(ii)/Sm(iii), Ni(ii)/La(iii) and Zn(ii)/Eu(iii). These separations are relevant for the recycling of rare earths and transition metals from samarium cobalt permanent magnets, nickel metal hydride batteries and lamp phosphors, respectively. The extraction of metal ions from a chloride or nitrate solution with a thiocyanate ionic liquid is an example of "split-anion extraction", where different anions are present in the aqueous and ionic liquid phase. Close to 100% loading was possible for Co(ii) and Zn(ii) up to a concentration of 40 g L(-1) of the transition metal salt in the initial aqueous feed solution, whereas the extraction efficiency for Ni(ii) gradually decreased with increase in the initial feed concentration. Stripping of Co(ii), Zn(ii) and Ni(ii) from the loaded ionic liquid phase was possible by a 15 wt% NH3 solution. The ionic liquid could reused after extraction and stripping.

  10. Synergistic conversion of glucose into 5-hydroxymethylfurfural in ionic liquid-water mixtures.

    PubMed

    Qi, Xinhua; Watanabe, Masaru; Aida, Taku M; Smith, Richard L

    2012-04-01

    A method for converting glucose into 5-hydroxymethylfurfural (5-HMF) without using chromium-containing catalysts was developed. The method uses ionic liquid-water mixtures with a ZrO(2) catalyst. Addition of a certain amount of water (10-50 wt.%) into the 1,3-dialkylimidazolium chloride ionic liquid promoted the formation of 5-HMF from glucose compared with that in either pure water or in the pure ionic liquid. A 5-HMF yield of 53% was obtained within 10 min at 200 °C in a 50:50 w/w% 1-hexyl-3-methyl imidazolium chloride-water mixture in the presence of ZrO(2). The 1,3-dialkylimidazolium ionic liquids having Cl(-) or HSO(4)(-) anions were effective for promoting 5-HMF formation. Addition of protic solvents such as methanol and ethanol to the ionic liquid had a similar synergistic effect as water and promoted fructose and 5-HMF formation. The results reported in this work can be extended to other fields, where the ratio of ionic liquid and protic solvent can be adjusted to promote the desired reactions.

  11. Ionic electroactive hybrid transducers

    NASA Astrophysics Data System (ADS)

    Akle, Barbar J.; Bennett, Matthew D.; Leo, Donald J.

    2005-05-01

    Ionic electroactive actuators have received considerable attention in the past ten years. Ionic electroactive polymers, sometimes referred to as artificial muscles, have the ability to generate large bending strain and moderate stress at low applied voltages. Typical types of ionic electroactive polymer transducers include ionic polymers, conducting polymers, and carbon nanotubes. Preliminary research combining multiple types of materials proved to enhance certain transduction properties such as speed of response, maximum strain, or quasi-static actuation. Recently it was demonstrated that ionomer-ionic liquid transducers can operate in air for long periods of time (>250,000 cycles) and showed potential to reduce or eliminate the back-relaxation issue associated with ionomeric polymers. In addition, ionic liquids have higher electrical stability window than those operated with water as the solvent thereby increasing the maximum strain that the actuator can produce. In this work, a new technique developed for plating metal particulates on the surface of ionomeric materials is applied to the development of hybrid transducers that incorporate carbon nanotubes and conducting polymers as electrode materials. The new plating technique, named the direct assembly process, consists of mixing a conducting powder with an ionomer solution. This technique has demonstrated improved response time and strain output as compared to previous methods. Furthermore, the direct assembly process is less costly to implement than traditional impregnation-reduction methods due to less dependence on reducing agents, it requires less time, and is easier to implement than other processes. Electrodes applied using this new technique of mixing RuO2 (surface area 45~65m2/g) particles and Nafion dispersion provided 5x the displacement and 10x the force compared to a transducer made with conventional methods. Furthermore, the study illustrated that the response speed of the transducer is optimized

  12. Ionic dependence of sulphur mustard cytotoxicity

    SciTech Connect

    Sawyer, Thomas W. Nelson, Peggy; Bjarnason, Stephen; Vair, Cory; Shei Yimin; Tenn, Catherine; Lecavalier, Pierre; Burczyk, Andrew

    2010-09-15

    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{sub 50} values of {approx} 100-150 {mu}M 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.

  13. Failure analysis of Chloride Silent Power, Ltd. PB cells

    NASA Astrophysics Data System (ADS)

    Beauchamp, E. K.

    1988-05-01

    Two beta double prime alumina electrolyte tubes from Chloride Silent Power, Ltd. PB cells which failed in testing at Sandia National Laboratories, showed extensive cracking. The cracks initiated at the interior surface under localized stress apparently resulting from nonuniform ionic currents. The nonuniform currents apparently were a result of nonuniform wetting of the interior surface of the electrolyte. Failure of the sodium electrode seal, which introduced contaminants to the electrolyte surface, may have been reponsible for the nonuniform wetting. In one of the electrolytes, large grains, produced by overfiring, contributed to the failure.

  14. Osmoregulated Chloride Currents in Hemocytes from Mytilus galloprovincialis

    PubMed Central

    Piazza, Veronica; Sbrana, Francesca; Vassalli, Massimo; Faimali, Marco

    2016-01-01

    We investigated the biophysical properties of the transport mediated by ion channels in hemocytes from the hemolymph of the bivalve Mytilus galloprovincialis. Besides other transporters, mytilus hemocytes possess a specialized channel sensitive to the osmotic pressure with functional properties similar to those of other transport proteins present in vertebrates. As chloride fluxes may play an important role in the regulation of cell volume in case of modifications of the ionic composition of the external medium, we focused our attention on an inwardly-rectifying voltage-dependent, chloride-selective channel activated by negative membrane potentials and potentiated by the low osmolality of the external solution. The chloride channel was slightly inhibited by micromolar concentrations of zinc chloride in the bath solution, while the antifouling agent zinc pyrithione did not affect the channel conductance at all. This is the first direct electrophysiological characterization of a functional ion channel in ancestral immunocytes of mytilus, which may bring a contribution to the understanding of the response of bivalves to salt and contaminant stresses. PMID:27936151

  15. Osmoregulated Chloride Currents in Hemocytes from Mytilus galloprovincialis.

    PubMed

    Bregante, Monica; Carpaneto, Armando; Piazza, Veronica; Sbrana, Francesca; Vassalli, Massimo; Faimali, Marco; Gambale, Franco

    2016-01-01

    We investigated the biophysical properties of the transport mediated by ion channels in hemocytes from the hemolymph of the bivalve Mytilus galloprovincialis. Besides other transporters, mytilus hemocytes possess a specialized channel sensitive to the osmotic pressure with functional properties similar to those of other transport proteins present in vertebrates. As chloride fluxes may play an important role in the regulation of cell volume in case of modifications of the ionic composition of the external medium, we focused our attention on an inwardly-rectifying voltage-dependent, chloride-selective channel activated by negative membrane potentials and potentiated by the low osmolality of the external solution. The chloride channel was slightly inhibited by micromolar concentrations of zinc chloride in the bath solution, while the antifouling agent zinc pyrithione did not affect the channel conductance at all. This is the first direct electrophysiological characterization of a functional ion channel in ancestral immunocytes of mytilus, which may bring a contribution to the understanding of the response of bivalves to salt and contaminant stresses.

  16. Super ionic conductive glass

    DOEpatents

    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.

  17. Super ionic conductive glass

    DOEpatents

    Susman, Sherman; Volin, Kenneth J.

    1984-01-01

    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.

  18. Thermodynamic estimation: Ionic materials

    SciTech Connect

    Glasser, Leslie

    2013-10-15

    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

  19. Vibrational Spectroscopy of Ionic Liquids.

    PubMed

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

    2017-01-04

    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.

  20. Oxygen, water, and sodium chloride transport in soft contact lenses materials.

    PubMed

    Gavara, Rafael; Compañ, Vicente

    2016-07-21

    Oxygen permeability, diffusion coefficient of the sodium ions and water flux and permeability in different conventional hydrogel (Hy) and silicone-hydrogel (Si-Hy) contact lenses have been measured experimentally. The results showed that oxygen permeability and transmissibility requirements of the lens have been addressed through the use of siloxane containing hydrogels. In general, oxygen and sodium chloride permeability values increased with the water content of the lens but there was a percolation phenomenon from a given value of water uptake mainly in the Si-Hy lenses which appeared to be related with the differences between free water and bound water contents. The increase of ion permeability with water content did not follow a unique trend indicating a possible dependence of the chemical structure of the polymer and character ionic and non-ionic of the lens. Indeed, the salt permeability values for silicone hydrogel contact lenses were one order of magnitude below those of conventional hydrogel contact lenses, which can be explained by a diffusion of sodium ions occurring only through the hydrophilic channels. The increase of the ionic permeability in Si-Hy materials may be due to the confinement of ions in nanoscale water channels involving possible decreased degrees of freedom for diffusion of both water and ions. In general, ionic lenses presented values of ionic permeability and diffusivity higher than most non-ionic lenses. The tortuosity of the ionic lenses is lower than the non-ionic Si-Hy lenses. Frequency 55 and PureVision exhibited the highest water permeability and flux values and, these parameters were greater for ionic Si-Hy lenses than for ionic conventional hydrogel lenses. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2016.

  1. Nanoporous membranes with electrochemically switchable, chemically stabilized ionic selectivity.

    PubMed

    Small, Leo J; Wheeler, David R; Spoerke, Erik D

    2015-10-28

    Nanopore size, shape, and surface charge all play important roles in regulating ionic transport through nanoporous membranes. The ability to control these parameters in situ provides a means to create ion transport systems tunable in real time. Here, we present a new strategy to address this challenge, utilizing three unique electrochemically switchable chemistries to manipulate the terminal functional group and control the resulting surface charge throughout ensembles of gold plated nanopores in ion-tracked polycarbonate membranes 3 cm(2) in area. We demonstrate the diazonium mediated surface functionalization with (1) nitrophenyl chemistry, (2) quinone chemistry, and (3) previously unreported trimethyl lock chemistry. Unlike other works, these chemistries are chemically stabilized, eliminating the need for a continuously applied gate voltage to maintain a given state and retain ionic selectivity. The effect of surface functionalization and nanopore geometry on selective ion transport through these functionalized membranes is characterized in aqueous solutions of sodium chloride at pH = 5.7. The nitrophenyl surface allows for ionic selectivity to be irreversibly switched in situ from cation-selective to anion-selective upon reduction to an aminophenyl surface. The quinone-terminated surface enables reversible changes between no ionic selectivity and a slight cationic selectivity. Alternatively, the trimethyl lock allows ionic selectivity to be reversibly switched by up to a factor of 8, approaching ideal selectivity, as a carboxylic acid group is electrochemically revealed or hidden. By varying the pore shape from cylindrical to conical, it is demonstrated that a controllable directionality can be imparted to the ionic selectivity. Combining control of nanopore geometry with stable, switchable chemistries facilitates superior control of molecular transport across the membrane, enabling tunable ion transport systems.

  2. Plasticizing effect of ionic liquid on cellulose acetate obtained by melt processing.

    PubMed

    Bendaoud, Amine; Chalamet, Yvan

    2014-08-08

    Cellulose acetate (CA) plasticized by 1-butyl-3-methylimidazolium chloride (BMIMCl) and with diethylphtalate (DEP) was obtained by melt processing at 150°C. The effect and the interaction of ionic liquid with the cellulose acetate and their influence on structural, thermo-mechanical, rheological and tensile properties of CA materials were investigated. Ionic liquid (BMIMCl) has shown a good plasticization and more efficient destruction of the crystalline structure of cellulose acetate than the DEP plasticized CA. BMIMCl interacts intensively with CA molecules due to the pronounced van der Waals interactions, hydrogen bonding and electrostatic nature of ionic liquid. The tensile test and the low Young's modulus for plasticized CA suggest a strong reduction of the interaction between the CA chains due to the presence of the ionic liquid.

  3. Benzalkonium Chloride and Glaucoma

    PubMed Central

    Kaufman, Paul L.; Kiland, Julie A.

    2014-01-01

    Abstract Glaucoma patients routinely take multiple medications, with multiple daily doses, for years or even decades. Benzalkonium chloride (BAK) is the most common preservative in glaucoma medications. BAK has been detected in the trabecular meshwork (TM), corneal endothelium, lens, and retina after topical drop installation and may accumulate in those tissues. There is evidence that BAK causes corneal and conjunctival toxicity, including cell loss, disruption of tight junctions, apoptosis and preapoptosis, cytoskeleton changes, and immunoinflammatory reactions. These same effects have been reported in cultured human TM cells exposed to concentrations of BAK found in common glaucoma drugs and in the TM of primary open-angle glaucoma donor eyes. It is possible that a relationship exists between chronic exposure to BAK and glaucoma. The hypothesis that BAK causes/worsens glaucoma is being tested experimentally in an animal model that closely reflects human physiology. PMID:24205938

  4. Benzalkonium chloride and glaucoma.

    PubMed

    Rasmussen, Carol A; Kaufman, Paul L; Kiland, Julie A

    2014-01-01

    Glaucoma patients routinely take multiple medications, with multiple daily doses, for years or even decades. Benzalkonium chloride (BAK) is the most common preservative in glaucoma medications. BAK has been detected in the trabecular meshwork (TM), corneal endothelium, lens, and retina after topical drop installation and may accumulate in those tissues. There is evidence that BAK causes corneal and conjunctival toxicity, including cell loss, disruption of tight junctions, apoptosis and preapoptosis, cytoskeleton changes, and immunoinflammatory reactions. These same effects have been reported in cultured human TM cells exposed to concentrations of BAK found in common glaucoma drugs and in the TM of primary open-angle glaucoma donor eyes. It is possible that a relationship exists between chronic exposure to BAK and glaucoma. The hypothesis that BAK causes/worsens glaucoma is being tested experimentally in an animal model that closely reflects human physiology.

  5. Clickable Poly(ionic liquids): A Materials Platform for Transfection.

    PubMed

    Freyer, Jessica L; Brucks, Spencer D; Gobieski, Graham S; Russell, Sebastian T; Yozwiak, Carrie E; Sun, Mengzhen; Chen, Zhixing; Jiang, Yivan; Bandar, Jeffrey S; Stockwell, Brent R; Lambert, Tristan H; Campos, Luis M

    2016-09-26

    The potential applications of cationic poly(ionic liquids) range from medicine to energy storage, and the development of efficient synthetic strategies to target innovative cationic building blocks is an important goal. A post-polymerization click reaction is reported that provides facile access to trisaminocyclopropenium (TAC) ion-functionalized macromolecules of various architectures, which are the first class of polyelectrolytes that bear a formal charge on carbon. Quantitative conversions of polymers comprising pendant or main-chain secondary amines were observed for an array of TAC derivatives in three hours using near equimolar quantities of cyclopropenium chlorides. The resulting TAC polymers are biocompatible and efficient transfection agents. This robust, efficient, and orthogonal click reaction of an ionic liquid, which we term ClickabIL, allows straightforward screening of polymeric TAC derivatives. This platform provides a modular route to synthesize and study various properties of novel TAC-based polymers.

  6. Measurement of atmospheric vinyl chloride.

    PubMed

    Lande, S S

    1979-02-01

    Methods for atmospheric vinyl chloride measurement have been reviewed. The lowest detection limits and most specific measurement are achieved by scrubbing atmospheric samples with activated charcoal, desorbing the vinyl chloride, and assaying it by gas chromatography (GC). NIOSH currently recommends collecting samples using tubes packed with 150 mg of coconut shell charcoal, desorbing with carbon disulfide, and analyzing by GC equipped with flame-ionization detection (FID); the method is capable of detecting less than 1 ppm vinyl chloride and has an apparent recovery of abo the ppb level with no loss of accuracy or precision. Some field methods, such as infrared analysis and conductivity measurement, are capable of detecting 1 ppm or lower but are subject to interferences by other contaminants; th-y could be useful for evaluating sources of vinyl chloride leaks and for continuous monitoring. Permeation tubes are superior to gravimetric or volumetric methods for generating atmospheres of known vinyl chloride concentration.

  7. Antiviral effect of lithium chloride.

    PubMed

    Cernescu, C; Popescu, L; Constantinescu, S; Cernescu, S

    1988-01-01

    Studies in human embryo fibroblasts infected with measles or herpes simplex virus showed a reduction in virus yield when cultures were pretreated with 1-10 mM lithium chloride doses. Maximum effect was obtained by a 1 h treatment with 10 mM lithium chloride, preceding viral infection by 19-24 hours. A specific antiviral effect against measles virus was manifest immediately after culture pretreatment. Intermittent treatment with 10 mM lithium chloride of cultures persistently infected with measles or herpes virus obtained from human myeloid K-562 cell line shows a reduction in the extracellular virus yield. In the K-562/herpes virus system, the culture treatment with lithium chloride and acyclovir (10 microM) has an additive inhibitory effect on virus production. The paper is focused on the mechanism of lithium chloride antiviral action and the expediency of lithium therapy in SSPE (subacute sclerosing panencephalitis).

  8. Fabrication and Characterization of Polysaccharide Ion Gels with Ionic Liquids and Their Further Conversion into Value-Added Sustainable Materials

    PubMed Central

    Takada, Akihiko; Kadokawa, Jun-ichi

    2015-01-01

    A review of the fabrication of polysaccharide ion gels with ionic liquids is presented. From various polysaccharides, the corresponding ion gels were fabricated through the dissolution with ionic liquids. As ionic liquids, in the most cases, 1-butyl-3-methylimidazolium chloride has been used, whereas 1-allyl-3methylimidazolium acetate was specifically used for chitin. The resulting ion gels have been characterized by suitable analytical measurements. Characterization of a pregel state by viscoelastic measurement provided the molecular weight information. Furthermore, the polysaccharide ion gels have been converted into value-added sustainable materials by appropriate procedures, such as exchange with other disperse media and regeneration. PMID:25793912

  9. Graphene-ionic liquid composites

    DOEpatents

    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.

  10. Design of Energetic Ionic Liquids

    DTIC Science & Technology

    2009-05-12

    effectiveness of the FMO method in both providing accurate results and reducing computational requirements, timings were performed for the ionic liquid ...Technical Paper 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Design of Energetic Ionic Liquids 5b. GRANT NUMBER 5c...Design of Energetic Ionic Liquids challenge project is to address several key technical issues and challenges associated with the characterization

  11. Printed environmentally friendly supercapacitors with ionic liquid electrolytes on paper

    NASA Astrophysics Data System (ADS)

    Pettersson, F.; Keskinen, J.; Remonen, T.; von Hertzen, L.; Jansson, E.; Tappura, K.; Zhang, Y.; Wilén, C.-E.; Österbacka, R.

    2014-12-01

    Environmentally friendly supercapacitors are fabricated using commercial grade aluminum coated paper as a substrate and symmetrical activated carbon electrodes as large area electrodes. Different choline chloride-based eutectic solvents are used as electrolyte. These are inexpensive, environmentally friendly and have a larger operating window compared to that of water electrolytes. As the entire device is printed and the materials used are inexpensive, both small- and large-area power sources can be fabricated to be used in cheap, disposable and recyclable devices. Supercapacitors with different eutectic solvents are measured using cyclic charge-discharge and impedance spectroscopy measurements and compared to one widely used and one "green" imidazolium ionic liquid; EMIM:TFSI and EcoEng 212™, respectively. A mixture of ethylene glycol and choline chloride, Glyceline™, show the highest capacitance and power densities of the electrolytes being tested, including the imidazolium alternatives.

  12. Regenerating cellulose from ionic liquids for an accelerated enzymatic hydrolysis

    SciTech Connect

    Zhao, Hua; Jones, Cecil L; Baker, Gary A; Xia, Shuqian; Olubajo, Olarongbe; Person, Vernecia

    2009-01-01

    The efficient conversion of lignocellulosic materials into fuel ethanol has become a research priority in producing affordable and renewable energy. The pretreatment of lignocelluloses is known to be key to the fast enzymatic hydrolysis of cellulose. Recently, certain ionic liquids (ILs)were found capable of dissolving more than 10 wt% cellulose. Preliminary investigations [Dadi, A.P., Varanasi, S., Schall, C.A., 2006. Enhancement of cellulose saccharification kinetics using an ionic liquid pretreatment step. Biotechnol. Bioeng. 95, 904 910; Liu, L., Chen, H., 2006. Enzymatic hydrolysis of cellulose materials treated with ionic liquid [BMIM]Cl. Chin. Sci. Bull. 51, 2432 2436; Dadi, A.P., Schall, C.A., Varanasi, S., 2007. Mitigation of cellulose recalcitrance to enzymatic hydrolysis by ionic liquid pretreatment. Appl. Biochem. Biotechnol. 137 140, 407 421] suggest that celluloses regenerated from IL solutions are subject to faster saccharification than untreated substrates. These encouraging results offer the possibility of using ILs as alternative and nonvolatile solvents for cellulose pretreatment. However, these studies are limited to two chloride-based ILs: (a) 1-butyl-3-methylimidazolium chloride ([BMIM]Cl), which is a corrosive, toxic and extremely hygroscopic solid (m.p. 70 C), and (b) 1-allyl-3-methylimidazolium chloride ([AMIM]Cl), which is viscous and has a reactive side-chain. Therefore, more in-depth research involving other ILs is much needed to explore this promising pretreatment route. For this reason, we studied a number of chloride- and acetate-based ILs for cellulose regeneration, including several ILs newly developed in our laboratory. This will enable us to select inexpensive, efficient and environmentally benign solvents for processing cellulosic biomass. Our data confirm that all regenerated celluloses are less crystalline (58 75% lower) and more accessible to cellulase (>2 times) than untreated substrates. As a result, regenerated Avicel

  13. On the ideality of binary mixtures of ionic liquids.

    PubMed

    Brüssel, Marc; Brehm, Martin; Pensado, Alfonso S; Malberg, Friedrich; Ramzan, Muhammad; Stark, Annegret; Kirchner, Barbara

    2012-10-14

    In this work, structural and dynamical properties of the binary mixture of 1-ethyl-3-methyl-imidazolium chloride and 1-ethyl-3-methyl-imidazolium thiocyanate are investigated from ab initio molecular dynamics simulations and compared to the pure ionic liquids. Furthermore, the binary mixture is simulated with two different densities to gain insight into how the selected density affects the different properties. In addition, a simple NMR experiment is carried out to investigate the changes of the chemical shifts of the hydrogen atoms due to the composition of the mixture.

  14. Ionic transport in passivation layered on the lithium electrode

    NASA Astrophysics Data System (ADS)

    Nimon, Eugeny S.; Churikov, Alexei V.; Shirokov, Alexander V.; Lvov, Arlen L.; Chuvashkin, Anatoly N.

    1993-04-01

    The processes of ionic transport in passivating layers on the surface of the lithium electrode in solutions based on thionyl chloride, propylene carbonate and gamma -butyrolactone have been studied by means of pulse electrochemical methods. The data obtained are quantitatively described by a model which takes into account transport of both the intrinsic mobile lithium ions of the passivating layer and lithium ions injected into the passivating layer from the electrode or from the electrolyte solution under anodic or cathodic current directions, respectively. The values of mobility and concentration of mobile lithium ions in passivating layers formed on lithium in various solutions under open-circuit conditions have been determined.

  15. A rapid microwave protocol for Heck vinylation of aryl chlorides under air.

    PubMed

    Datta, Gopal K; Vallin, Karl S A; Larhed, Mats

    2003-01-01

    In modern high-throughput chemistry, the overall workflow is a crucial factor and much work is devoted to speeding up the process of chemistry development. Since automated microwave-based synthesizers are known to streamline the compound production and to accelerate slow organic transformations, this technology was implemented for Heck reactions with sluggish aryl chlorides. Furthermore, homogeneous palladium-catalyzed Heck vinylations of aryl chlorides can be performed under air under optimized conditions. Based on this finding, controlled microwave heating was utilized to accelerate model reactions down to 30 min employing a mixture of ionic liquid and 1,4-dioxane as solvent.

  16. Low-melting mixtures based on choline ionic liquids.

    PubMed

    Rengstl, Doris; Fischer, Veronika; Kunz, Werner

    2014-11-07

    In this article a strategy is proposed for the design of low toxic, room temperature liquid low-melting mixtures (LMMs) which are entirely composed of natural materials. From literature it is well known that, in general, deep eutectic solvents based on choline chloride and dicarboxylic acids are LMMs, but not liquids at room temperature, with one exception: a 1 : 1 molar mixture of malonic acid and choline chloride. Therefore, the starting point of this study was the decrease of the melting point of one of the components, namely the dicarboxylic acid, which is succinic, glutaric or adipic acid. For this purpose, one of the two protons of the acidic group was exchanged by a bulky unsymmetrical choline cation. The resulting ionic liquids (ILs) were still solid at room temperature, but have a reduced melting temperature compared to the corresponding acids. In the second step, mixtures of these ILs with choline chloride were prepared. It turned out that choline glutarate-choline chloride mixtures are liquids at room temperature at compositions containing 95-98 wt% of choline glutarate. Finally, urea was added as another hydrogen bond donor. Density, conductivity and viscosity measurements were performed for all obtained mixtures. Moreover, a Walden plot was drawn which indicates that all mixtures are liquids with fully dissociated ions moving independently. Therefore, they are considered as "good" ionic liquids and, thus, for example they can be used to exchange more toxic or less biodegradable ILs in application processes. A brief outlook containing application possibilities is given. It is demonstrated that choline dodecylsulfate is readily soluble in these mixtures, forming aggregates in the LMM at temperatures exceeding 55 °C.

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

    SciTech Connect

    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.

  18. Lithium-Thionyl Chloride Battery.

    DTIC Science & Technology

    1981-04-01

    EEEElhIhEEEEEE 1111 1 - MI(CRO( fy Hl ff1Sf UIIIUN Ift I IA I~t Research and Development Technical Report DELET - TR - 78 - 0563 - F Cq LITHIUM - THIONYL CHLORIDE ...2b(1110) S. TYPE OF REPORT & PERIOD COVERED Lithium - Thionyl Chloride Battery -10/1/78 - 11/30/80 6. PNING ORG. REPORT NUMBER Z %A a.~as B.,OWRACT OR...block number) Inorganic Electrolyte battery, Thionyl Chloride , lithium , high rate D cell, high rate flat cylindrical cell, laser designator battery. C//i

  19. Pyrrolidinium ionic liquid crystals.

    PubMed

    Goossens, Karel; Lava, Kathleen; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Driesen, Kris; Görller-Walrand, Christiane; Binnemans, Koen; Cardinaels, Thomas

    2009-01-01

    N-alkyl-N-methylpyrrolidinium cations have been used for the design of ionic liquid crystals, including a new type of uranium-containing metallomesogen. Pyrrolidinium salts with bromide, bis(trifluoromethylsulfonyl)imide, tetrafluoroborate, hexafluorophosphate, thiocyanate, tetrakis(2- thenoyltrifluoroacetonato)europate(III) and tetrabromouranyl counteranions were prepared. For the bromide salts and tetrabromouranyl compounds, the chain length of the alkyl group C(n)H(2n+1) was varied from eight to twenty carbon atoms (n = 8, 10-20). The compounds show rich mesomorphic behaviour: highly ordered smectic phases (the crystal smectic E phase and the uncommon crystal smectic T phase), smectic A phases, and hexagonal columnar phases were observed, depending on chain length and anion. This work gives better insight into the nature and formation of the crystal smectic T phase, and the molecular requirements for the appearance of this highly ordered phase. This uncommon tetragonal mesophase is thoroughly discussed on the basis of detailed powder X-ray diffraction experiments and in relation to the existing literature. Structural models are proposed for self-assembly of the molecules within the smectic layers. In addition, the photophysical properties of the compounds containing a metal complex anion were investigated. For the uranium-containing mesogens, luminescence can be induced by dissolving them in an ionic liquid matrix. The europium-containing compound shows intense red photoluminescence with high colour purity.

  20. Antibiotic bonding to polytetrafluoroethylene with tridodecylmethylammonium chloride

    SciTech Connect

    Harvey, R.A.; Alcid, D.V.; Greco, R.S.

    1982-09-01

    Polytetrafluoroethylene (PTFE) treated with the cationic surfactant, triodecylmethylammonium chloride (TDMAC), binds /sup 14/C-penicillin (1.5 to 2 mg antibiotic/cm graft), whereas untreated PTFE or PTFE treated with anionic detergents shows little binding of antibiotic. TDMAC-treated PTFE concomitantly binds penicillin and heparin, generating a surface that potentially can resist both infection and thrombosis. The retention of these biologically active molecules is not due to passive entrapment in the PTFE but reflects an ionic interaction between the anionic ligands and surface-bound TDMAC. Penicillin bound to PTFE is not removed by exhaustive washing in aqueous buffers but is slowly released in the presence of plasma or when the PTFE is placed in a muscle pouch in the rat. Muscle tissue adjacent to the treated PTFE shows elevated levels of antibiotic following implantation. PTFE treated with TDMAC and placed in a muscle pouch binds /sup 14/C-penicillin when it is locally irrigated with antibiotic or when penicillin is administered intravenously. Thus, the TDMAC surface treated either in vitro or in vivo with penicillin provides an effective in situ source for the timed release of antibiotic.

  1. Efficient synthesis of β-chlorovinylketones from acetylene in chloroaluminate ionic liquids.

    PubMed

    Snelders, Dennis J M; Dyson, Paul J

    2011-08-05

    A method for the Friedel-Crafts-type insertion reaction of acetylene with acid chlorides in chloroaluminate ionic liquids is presented. The use of ionic liquids not only serves to avoid the use of carbon tetrachloride or 1,2-dichloroethane but also suppresses side reactions, notably the polymerization of acetylene, which occurs in these chlorinated solvents. Consequently, the products can be isolated using a simpler purification procedure, giving a range of aromatic and aliphatic β-chlorovinyl ketones in high yield and purity.

  2. Structural study of lysozyme in two ionic liquids at cryogenic temperature

    NASA Astrophysics Data System (ADS)

    Yoshimura, Yukihiro; Takekiyo, Takahiro; Mori, Takahiro

    2016-11-01

    We have investigated the structure and activity of chicken egg-white lysozyme in aqueous solutions of two typical ionic liquids, 1-butyl-3-methylimidazolium chloride and ethylammonium nitrate, at cryogenic temperature. An increase in structural disorder due to the unfolding and a decrease in the α-helical structure of lysozyme were noticeable upon glass formation. However, a decrease in the structural stability after cooling was less than that before cooling. The secondary and tertiary structures showed good reversibility upon cooling to 77 K and then reverting back to ambient temperature. We discussed an influence of a cooling upon the structure in aqueous ionic liquid solutions.

  3. CHLORIDEDETERMINATION IN HIGH IONIC STRENGTH SOLUTION OF AMMONIUM ACETATE USING NEGATIVE ION ELECTRON SPRAY IONIZATION (HPLC/MS)

    EPA Science Inventory

    A precise ion chromatography method has been developed for the determination of chloride in high ionic strength ammonium acetate solutions (10-5 M-5 M) using sodium carbonate/sodium bicarbonate as eluent. Negative ion electrospray ionization (ESI) mass spectrometry was used for q...

  4. Studies Update Vinyl Chloride Hazards.

    ERIC Educational Resources Information Center

    Rawls, Rebecca

    1980-01-01

    Extensive study affirms that vinyl chloride is a potent animal carcinogen. Epidemiological studies show elevated rates of human cancers in association with extended contact with the compound. (Author/RE)

  5. Aggregation of phosphate and 1-tetradecyl-3-methylimidazolium chloride background electrolytes during micellar electrokinetic chromatography.

    PubMed

    Kazarjan, Jana; Vaher, Merike; Kaljurand, Mihkel

    2015-04-01

    We report the possible aggregation of phosphate and ionic liquid (1-tetradecyl-3-methylimidazolium chloride) based BGEs during MEKC. After a certain transit period, the aggregates appear as a random sequence of spikes on a UV detector signal. Root mean square values of the spikes and aggregation time (Ta ) were plotted against BGE concentrations. The observation suggests that MEKC is a simple and easy technique for micelle aggregation studies.

  6. Phase selective synthesis of quantum cutting nanophosphors and the observation of a spontaneous room temperature phase transition

    NASA Astrophysics Data System (ADS)

    Ghosh, Pushpal; Mudring, Anja-Verena

    2016-04-01

    Oxygen-free Eu3+-doped NaGdF4 nanocrystals with high quantum cutting efficiency are accessible at low temperatures (room temperature to 80 °C) using task-specific ionic liquids (ILs) as structure directing agents and only water as solvent. Selective tuning of the shape, morphology and, most importantly, the crystal phase of the host lattice is achieved by changing the alkyl side length, the H-bonding capabilities and the concentration of 1-alkyl-3-methylimidazolium bromide ILs, [Cnmim]Br. When using [C2mim]Br, hexagonal NaGdF4 nanoparticles are obtained. In the case of methylimidazolium bromides with longer pendant alkyl chains such as butyl (C4), octyl (C8) or decyl (C10), extremely small nanoparticles of the cubic polymorph form, which then convert even at room temperature (RT) to the thermodynamically favored hexagonal modification. To the best of our knowledge, this kind of spontaneous phase transition is not yet reported. The hexagonal nanomaterial shows a substantial quantum cutting efficiency (154%) whilst in the cubic material, the effect is negligible (107%). The easy yet highly phase selective green synthesis of the materials promises large scale industrial application in environmentally benign energy efficient lighting.Oxygen-free Eu3+-doped NaGdF4 nanocrystals with high quantum cutting efficiency are accessible at low temperatures (room temperature to 80 °C) using task-specific ionic liquids (ILs) as structure directing agents and only water as solvent. Selective tuning of the shape, morphology and, most importantly, the crystal phase of the host lattice is achieved by changing the alkyl side length, the H-bonding capabilities and the concentration of 1-alkyl-3-methylimidazolium bromide ILs, [Cnmim]Br. When using [C2mim]Br, hexagonal NaGdF4 nanoparticles are obtained. In the case of methylimidazolium bromides with longer pendant alkyl chains such as butyl (C4), octyl (C8) or decyl (C10), extremely small nanoparticles of the cubic polymorph form, which

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

    EPA Pesticide Factsheets

    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.

  8. 21 CFR 173.375 - Cetylpyridinium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Cetylpyridinium chloride. 173.375 Section 173.375... CONSUMPTION Specific Usage Additives § 173.375 Cetylpyridinium chloride. Cetylpyridinium chloride (CAS Reg. No....1666 of this chapter, at a concentration of 1.5 times that of cetylpyridinium chloride. (c)...

  9. 21 CFR 173.400 - Dimethyldialkylammonium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Dimethyldialkylammonium chloride. 173.400 Section... § 173.400 Dimethyldialkylammonium chloride. Dimethyldialkylammonium chloride may be safely used in food... subsequently reacted with methyl chloride to form the quaternary ammonium compounds consisting primarily...

  10. 21 CFR 173.375 - Cetylpyridinium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Cetylpyridinium chloride. 173.375 Section 173.375... Cetylpyridinium chloride. Cetylpyridinium chloride (CAS Reg. No. 123-93-5) may be safely used in food in... cetylpyridinium chloride. (c) The additive is used as follows: (1) As a fine mist spray of an ambient...

  11. 21 CFR 173.375 - Cetylpyridinium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Cetylpyridinium chloride. 173.375 Section 173.375... CONSUMPTION Specific Usage Additives § 173.375 Cetylpyridinium chloride. Cetylpyridinium chloride (CAS Reg. No....1666 of this chapter, at a concentration of 1.5 times that of cetylpyridinium chloride. (c)...

  12. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Potassium chloride. 184.1622 Section 184.1622 Food... Specific Substances Affirmed as GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg... levels not to exceed current good manufacturing practice. Potassium chloride may be used in...

  13. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Potassium chloride. 184.1622 Section 184.1622 Food... Specific Substances Affirmed as GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg... levels not to exceed current good manufacturing practice. Potassium chloride may be used in...

  14. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Potassium chloride. 184.1622 Section 184.1622 Food... Specific Substances Affirmed as GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg... levels not to exceed current good manufacturing practice. Potassium chloride may be used in...

  15. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Potassium chloride. 184.1622 Section 184.1622 Food... GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg. No. 7447-40-7) is a white... manufacturing practice. Potassium chloride may be used in infant formula in accordance with section 412(g)...

  16. 21 CFR 184.1622 - Potassium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Potassium chloride. 184.1622 Section 184.1622 Food... Specific Substances Affirmed as GRAS § 184.1622 Potassium chloride. (a) Potassium chloride (KCl, CAS Reg... levels not to exceed current good manufacturing practice. Potassium chloride may be used in...

  17. 21 CFR 184.1297 - Ferric chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Substances Affirmed as GRAS § 184.1297 Ferric chloride. (a) Ferric chloride (iron (III) chloride, FeC13, CAS... (III) chloride hexahydrate, FeC13. 6H20, CAS Reg. No. 10025-77-1) is readily formed when...

  18. 21 CFR 184.1297 - Ferric chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... GRAS § 184.1297 Ferric chloride. (a) Ferric chloride (iron (III) chloride, FeC13, CAS Reg. No. 7705-08... hexahydrate, FeC13. 6H20, CAS Reg. No. 10025-77-1) is readily formed when ferric chloride is exposed...

  19. Regeneration of zinc chloride hydrocracking catalyst

    DOEpatents

    Zielke, Clyde W.

    1979-01-01

    Improved rate of recovery of zinc values from the solids which are carried over by the effluent vapors from the oxidative vapor phase regeneration of spent zinc chloride catalyst is achieved by treatment of the solids with both hydrogen chloride and calcium chloride to selectively and rapidly recover the zinc values as zinc chloride.

  20. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... GRAS § 184.1138 Ammonium chloride. (a) Ammonium chloride (NH4Cl, CAS Reg. No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  1. 21 CFR 173.375 - Cetylpyridinium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Cetylpyridinium chloride. 173.375 Section 173.375... CONSUMPTION Specific Usage Additives § 173.375 Cetylpyridinium chloride. Cetylpyridinium chloride (CAS Reg. No....1666 of this chapter, at a concentration of 1.5 times that of cetylpyridinium chloride. (c)...

  2. 21 CFR 173.375 - Cetylpyridinium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Cetylpyridinium chloride. 173.375 Section 173.375... CONSUMPTION Specific Usage Additives § 173.375 Cetylpyridinium chloride. Cetylpyridinium chloride (CAS Reg. No....1666 of this chapter, at a concentration of 1.5 times that of cetylpyridinium chloride. (c)...

  3. Ionic liquids as surfactants

    NASA Astrophysics Data System (ADS)

    Smirnova, N. A.; Safonova, E. A.

    2010-10-01

    Problems of self-assembling in systems containing ionic liquids (ILs) are discussed. Main attention is paid to micellization in aqueous solutions of dialkylimidazolium ILs and their mixtures with classical surfactants. Literature data are reviewed, the results obtained by the authors and co-workers are presented. Thermodynamic aspects of the studies and problems of molecular-thermodynamic modeling receive special emphasis. It is shown that the aggregation behavior of dialkylimidazolium ILs is close to that of alkyltrimethylammonium salts (cationic surfactants) though ILs have a higher ability to self-organize, especially as it concerns long-range ordering. Some aspects of ILs applications are outlined where their common features with classical surfactants and definite specificity are of value.

  4. Ionic changes during experimentally induced seizure activity.

    PubMed

    Lux, H D; Heinemann, U

    1978-01-01

    Changes in intra- and extracellular ionic activity and their relation to generation and termination of seizure phenomena can be studied with the help of ion-selective microelectrodes. Transient changes in extracellular potassium activity (aK) of the cortex regularly accompany paroxysmal activity induced by electrical stimulation and pentylenetetrazol injections or occur within active penicillin and aluminum foci. A rise of aK from baseline levels of about 3 mmoles/l up to ceiling levels of 8--12 mmoles/l, followed by subnormal K activity, is typically found during seizure discharge. Extracellular K accumulation during seizures facilitates the spread into extrafocal regions. Ceiling levels of extracellular aK are characterized by pronounced K reabsorption which is probably a limiting mechanism for the rise in extracellular aK. It may be a consequence of a simultaneous rise in intracellular Na activity that an electrogenic Na--K exchange process is involved in the termination of ictal activity. Seizures are also accompanied by significant reductions in extracellular Ca2+ activity (aCa) to as low as 0.7 mmoles/l (resting aCa 1.25 mmoles/l). There is no critical level of lowered aCa at which a seizure ultimately results. However, unlike changes in aK reductions in aCa can precede ictal activity. Thus, a fall of aCa occurs before the onset of paroxysmal periods during cyclical spike driving in a penicillin focus and before seizures induced by pentylenetetrazol. Ca2+-dependent mechanisms may contribute to seizure generation. In addition to changes in aK and aCa, intracellular chloride activity (aCl) can increase during seizure activity, as a result of an impaired chloride extrusion mechanism, which would lead to a reduced efficacy of inhibitory synaptic transmission and, therefore, to facilitation of seizure generation.

  5. 46 CFR 151.50-34 - Vinyl chloride (vinyl chloride monomer).

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Vinyl chloride (vinyl chloride monomer). 151.50-34... chloride (vinyl chloride monomer). (a) Copper, aluminum, magnesium, mercury, silver, and their alloys shall... equipment that may come in contact with vinyl chloride liquid or vapor. (b) Valves, flanges, and...

  6. 46 CFR 151.50-34 - Vinyl chloride (vinyl chloride monomer).

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Vinyl chloride (vinyl chloride monomer). 151.50-34... chloride (vinyl chloride monomer). (a) Copper, aluminum, magnesium, mercury, silver, and their alloys shall... equipment that may come in contact with vinyl chloride liquid or vapor. (b) Valves, flanges, and...

  7. 46 CFR 151.50-34 - Vinyl chloride (vinyl chloride monomer).

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Vinyl chloride (vinyl chloride monomer). 151.50-34... chloride (vinyl chloride monomer). (a) Copper, aluminum, magnesium, mercury, silver, and their alloys shall... equipment that may come in contact with vinyl chloride liquid or vapor. (b) Valves, flanges, and...

  8. Surfactant Behavior of Sodium Dodecylsulfate in Deep Eutectic Solvent Choline Chloride/Urea.

    PubMed

    Arnold, T; Jackson, A J; Sanchez-Fernandez, A; Magnone, D; Terry, A E; Edler, K J

    2015-12-01

    Deep eutectic solvents (DES) resemble ionic liquids but are formed from an ionic mixture instead of being a single ionic compound. Here we present some results that demonstrate that surfactant sodium dodecyl sulfate (SDS) remains surface-active and shows self-assembly phenomena in the most commonly studied DES, choline chloride/urea. X-ray reflectivity (XRR) and small angle neutron scattering (SANS) suggest that the behavior is significantly different from that in water. Our SANS data supports our determination of the critical micelle concentration using surface-tension measurements and suggests that the micelles formed in DES do not have the same shape and size as those seen in water. Reflectivity measurements have also demonstrated that the surfactants remain surface-active below this concentration.

  9. Hydrogen bonding in ionic liquids.

    PubMed

    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

  10. CHLORIDE WASHER PERFORMACE TESTING

    SciTech Connect

    Coughlin, J; David Best, D; Robert Pierce, R

    2007-11-30

    Testing was performed to determine the chloride (Cl-) removal capabilities of the Savannah River National Laboratory (SRNL) designed and built Cl- washing equipment intended for HB-Line installation. The equipment to be deployed was tested using a cerium oxide (CeO2) based simulant in place of the 3013 plutonium oxide (PuO2) material. Two different simulant mixtures were included in this testing -- one having higher Cl- content than the other. The higher Cl- simulant was based on K-Area Interim Surveillance Inspection Program (KIS) material with Cl- content approximately equal to 70,000 ppm. The lower Cl- level simulant was comparable to KIS material containing approximately 8,000-ppm Cl- content. The performance testing results indicate that the washer is capable of reducing the Cl- content of both surrogates to below 200 ppm with three 1/2-liter washes of 0.1M sodium hydroxide (NaOH) solution. Larger wash volumes were used with similar results - all of the prescribed test parameters consistently reduced the Cl- content of the surrogate to a value below 200 ppm Cl- in the final washed surrogate material. The washer uses a 20-micron filter to retain the surrogate solids. Tests showed that 0.16-0.41% of the insoluble fraction of the starting mass passed through the 20-micron filter. The solids retention performance indicates that the fissile masses passing through the 20-micron filter should not exceed the waste acceptance criteria for discard in grout to TRU waste. It is recommended that additional testing be pursued for further verification and optimization purposes. It is likely that wash volumes smaller than those tested could still reduce the Cl- values to acceptable levels. Along with reduced wash volumes, reuse of the third wash volume (in the next run processed) should be tested as a wash solution minimization plan. A 67% reduction in the number of grouted paint pails could be realized if wash solution minimization testing returned acceptable results.

  11. Ionic Conductivity of Nanostructured Block Copolymer and Ionic Liquid Membranes

    NASA Astrophysics Data System (ADS)

    Hoarfrost, Megan L.; Virgili, Justin M.; Segalman, Rachel A.

    2010-03-01

    Block copolymer and ionic liquid mixtures are of interest for creating ionically conductive, thermally stable, and nanostructured membranes. For mixtures of poly(styrene-b-2-vinylpyridine) (S2VP) and the ionic liquid bis(trifluoromethanesulfonyl)imide ([Im][TFSI]), nanostructured ion-conducting domains are formed due to [Im][TFSI] selectively residing in the P2VP domains of the block copolymer. The dependence of ionic conductivity on temperature, ionic liquid loading, and volume fraction of PS in the neat block copolymer was investigated for membranes with the matrix phase being P2VP/[Im][TFSI]. It was determined that the temperature dependence of conductivity follows the Vogel-Tamman-Fulcher equation, with the activation energy determined by the ratio of [Im][TFSI] to 2VP monomers. The overall weight fraction of [Im][TFSI] in the mixtures, however, is the dominating factor determining conductivity, regardless of PS volume fraction. The insight gained from this work will be important for further investigation into the effect on the ion transport properties of ionic liquids when confined to minority nanostructured domains.

  12. Chiral discrimination by ionic liquids: impact of ionic solutes.

    PubMed

    Brown, Christopher J; Hopkins, Todd A

    2015-04-01

    Chiral ionic liquids hold promise in many asymmetric applications. This study explores the impact of ionic solutes on the chiral discrimination of five amino acid methyl ester-based ionic liquids, including L- and D-alanine methyl ester, L-proline methyl ester, L-leucine methyl ester, and L-valine methyl ester cations combined with bis(trifluoromethanesulfonimide) anion. Circularly polarized luminescence spectroscopy was used to study the chiral discrimination by measuring the racemization equilibrium of a dissymmetric europium complex, Eu(dpa)3(3-) (where dpa = 2,6-pyridinedicarboxylate). The chiral discrimination measured was dependent on the concentration of Eu(dpa)3(3-) and this concentration-dependence was different in each of the ionic liquids. Ionic liquids with L-leucine methyl ester and L-valine methyl ester even switched enantiomeric preference based on the solute concentration. Changing the cation of the Eu(dpa)3(3-) salt from tetrabutylammonium to tetramethylammonium ion also affected the chiral discrimination demonstrated by the ionic liquids.

  13. Effect of Sodium Chloride on the Surface and Wetting Properties of Aqueous Solutions of Cocamidopropyl Betaine.

    PubMed

    Staszak, Katarzyna; Wieczorek, Daria; Michocka, Katarzyna

    Surfactants are important ingredients of personal care products and household products. The main characteristic of these compounds is to decrease the surface tension of solvent and resulting many properties such as contact angle, foam properties etc. The coexistence of other ingredients in the product may affect the properties of surfactants. One of the main components contained in almost every personal care and household product is sodium chloride. The main aim of this work was to determine the effect of this salt on some surface and usage properties of cocamidopropyl betaine (CAPB). From our experiments it was shown that the effect of added sodium chloride in the aqueous solutions of CAPB on the properties is the opposite to the one described in the literature for cationic and anionic surfactants, i.e., CMC increases with increasing ionic strength, foam height decreases with increasing salt concentration. Our investigation showed that sodium chloride makes worse the properties of the CAPB solutions examined in this work.

  14. Organo-niobate Ionic Liquids: Synthesis, Characterization and Application as Acid Catalyst in Pechmann Reactions

    PubMed Central

    Soares, Valerio C. D.; Alves, Melquizedeque B.; Souza, Ernesto R.; Pinto, Ivana O.; Rubim, Joel C.; Andrade, Carlos Kleber Z.; Suarez, Paulo A. Z.

    2007-01-01

    The combinations of 1-butyl-3-methylimidazolium chloride with NbCl5 yielded ionic mixtures with different melting point temperatures and acidity depending on the niobium molar fraction. The mixtures were characterized by thermal (DSC) and spectroscopic (FT-IR and 1H NMR) analysis. The Pechmann reactions of different phenols with ethylacetoacetate, producing coumarins, was used as model to evaluate the catalytic behavior of these mixtures as acid Lewis catalyst. These reactions were carried out using acidic mixtures of 60 mol%.

  15. Cellulose/gold nanocrystal hybrids via an ionic liquid/aqueous precipitation route.

    PubMed

    Li, Zhonghao; Taubert, Andreas

    2009-11-18

    Injection of a mixture of HAuCl(4) and cellulose dissolved in the ionic liquid (IL) 1-butyl-3-methylimidazolium chloride [Bmim]Cl into aqueous NaBH4 leads to colloidal gold nanoparticle/cellulose hybrid precipitates. This process is a model example for a very simple and generic approach towards (noble) metal/cellulose hybrids, which could find applications in sensing, sterile filtration, or as biomaterials.

  16. Methods for conversion of carbohydrates in ionic liquids to value-added chemicals

    DOEpatents

    Zhao, Haibo; Holladay, Johnathan E.

    2011-05-10

    Methods are described for converting carbohydrates including, e.g., monosaccharides, disaccharides, and polysaccharides in ionic liquids to value-added chemicals including furans, useful as chemical intermediates and/or feedstocks. Fructose is converted to 5-hydroxylmethylfurfural (HMF) in the presence of metal halide and acid catalysts. Glucose is effectively converted to HMF in the presence of chromium chloride catalysts. Yields of up to about 70% are achieved with low levels of impurities such as levulinic acid.

  17. Ionic Liquids as Quasihydrostatic Pressure Media for Diamond Anvil Cell Experiments

    NASA Astrophysics Data System (ADS)

    Mayorga, Sierra; Moldowan, Kaela; Dan, Ioana; Forster, Paul; Iota, Valentin

    2012-02-01

    Ionic liquids (ILs) are salts in which the ions are poorly coordinated to the point where the eutectic mixture remains liquid at room temperature. In general, ILs exhibit high chemical and thermal stability, have extended liquid regions in the pressure-temperature domain, and can be easily obtained. Commercial ionic liquids are relatively inexpensive and custom ionic solutions can be easily synthesized by mixing common reactants. These properties make ionic liquids attractive candidates for high-pressure media in Diamond Anvil Cell (DAC) experiments. In this presentation we explore the use of ionic liquids as DAS quasihydrostatic pressure media for pressures up to 50 GPa. As a measure of hydrostaticity we monitor the splitting and peak-widths of the R1 andR 2 fluorescence lines from small ruby chips (Al2O3 :Cr^3+) imbedded in the pressure medium. We present results on a series of commercially available ionic fluids against standard pressure media: methanol-ethanol mixtures, silicone oil, sodium chloride (NaCl) and noble gases (Ar, Ne, He).

  18. Ionic Liquid Crystals: Versatile Materials.

    PubMed

    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.

  19. Ionic thermoelectric gating organic transistors

    PubMed Central

    Zhao, Dan; Fabiano, Simone; Berggren, Magnus; Crispin, Xavier

    2017-01-01

    Temperature is one of the most important environmental stimuli to record and amplify. While traditional thermoelectric materials are attractive for temperature/heat flow sensing applications, their sensitivity is limited by their low Seebeck coefficient (∼100 μV K−1). Here we take advantage of the large ionic thermoelectric Seebeck coefficient found in polymer electrolytes (∼10,000 μV K−1) to introduce the concept of ionic thermoelectric gating a low-voltage organic transistor. The temperature sensing amplification of such ionic thermoelectric-gated devices is thousands of times superior to that of a single thermoelectric leg in traditional thermopiles. This suggests that ionic thermoelectric sensors offer a way to go beyond the limitations of traditional thermopiles and pyroelectric detectors. These findings pave the way for new infrared-gated electronic circuits with potential applications in photonics, thermography and electronic-skins. PMID:28139738

  20. Ionic thermoelectric gating organic transistors

    NASA Astrophysics Data System (ADS)

    Zhao, Dan; Fabiano, Simone; Berggren, Magnus; Crispin, Xavier

    2017-01-01

    Temperature is one of the most important environmental stimuli to record and amplify. While traditional thermoelectric materials are attractive for temperature/heat flow sensing applications, their sensitivity is limited by their low Seebeck coefficient (~100 μV K-1). Here we take advantage of the large ionic thermoelectric Seebeck coefficient found in polymer electrolytes (~10,000 μV K-1) to introduce the concept of ionic thermoelectric gating a low-voltage organic transistor. The temperature sensing amplification of such ionic thermoelectric-gated devices is thousands of times superior to that of a single thermoelectric leg in traditional thermopiles. This suggests that ionic thermoelectric sensors offer a way to go beyond the limitations of traditional thermopiles and pyroelectric detectors. These findings pave the way for new infrared-gated electronic circuits with potential applications in photonics, thermography and electronic-skins.

  1. Modeling electrokinetics in ionic liquids.

    PubMed

    Wang, Chao; Bao, Jie; Pan, Wenxiao; Sun, Xin

    2017-03-17

    Using direct numerical simulations, we provide a thorough study regarding the electrokinetics of ionic liquids. In particular, modified Poisson-Nernst-Planck (MPNP) equations are solved to capture the crowding and overscreening effects characteristic of an ionic liquid. For modeling electrokinetic flows in an ionic liquid, the MPNP equations are coupled with Navier-Stokes equations to study the coupling of ion transport, hydrodynamics, and electrostatic forces. Specifically, we consider the ion transport between two parallel charged surfaces, charging dynamics in a nanopore, capacitance of electric double-layer capacitors, electro-osmotic flow in a nanochannel, electroconvective instability on a plane ion-selective surface, and electroconvective flow on a curved ion-selective surface. We also discuss how crowding and overscreening and their interplay affect the electrokinetic behaviors of ionic liquids in these application problems. This article is protected by copyright. All rights reserved.

  2. Novel approaches to ionic chromatography

    SciTech Connect

    Dasgupta, P.K.

    1990-11-01

    Research during this reporting period, continued on ionic chromatography. Major progress has been made towards on-line on-demand generation of ultrapure chemicals by electrochemical means. The concentration of the generated material is governed electrochemically.

  3. The solvation structures of cellulose microfibrils in ionic liquids

    SciTech Connect

    Mostofian, Barmak; Smith, Jeremy C; Cheng, Xiaolin

    2011-01-01

    The use of ionic liquids for non-derivatized cellulose dissolution promises an alternative method for the thermochemical pretreatment of biomass that may be more efficient and environmentally acceptable than more conventional techniques in aqueous solution. Here, we performed equilibrium MD simulations of a cellulose microfibril in the ionic liquid 1-butyl-3-methylimidazolium chloride (BmimCl) and compared the solute structure and the solute-solvent interactions at the interface with those from corresponding simulations in water. The results indicate a higher occurrence of solvent-exposed orientations of cellulose surface hydroxymethyl groups in BmimCl than in water. Moreover, spatial and radial distribution functions indicate that hydrophilic surfaces are a preferred site of interaction between cellulose and the ionic liquid. In particular, hydroxymethyl groups on the hydrophilic fiber surface adopt a different conformation from their counterparts oriented towards the fiber s core. Furthermore, the glucose units with these solvent-oriented hydroxymethyls are surrounded by the heterocyclic organic cation in a preferred parallel orientation, suggesting a direct and distinct interaction scheme between cellulose and BmimCl.

  4. Biopolymer Processing Using Ionic Liquids

    DTIC Science & Technology

    2014-08-07

    AFRL-OSR-VA-TR-2014-0181 (YIP-11) BIOPOLYMER PROCESSING USING IONIC LIQUIDS William Reichert UNIVERSITY OF SOUTH ALABAMA 08/07/2014 Final Report...3. DATES COVERED (From - To) May 2011-May 2014 4. TITLE AND SUBTITLE iopolymer Processing using Ionic Liquids for Feedstock Chemicals 5a...reaction and degradation products of the conversion of chitin and chitosan, and 3) investigate the effects of various reaction conditions, such as

  5. Ionic Liquid Epoxy Resin Monomers

    NASA Technical Reports Server (NTRS)

    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.

  6. Protein Crystallization Using Room Temperature Ionic Fluids

    NASA Technical Reports Server (NTRS)

    Pusey, Marc L.; Paley, Mark Steve; Turner, Megan B.; Rogers, Robin D.

    2006-01-01

    The ionic liquids (ILs) 1-butyl-3-methylimidizolium chloride (C4mim-C1), 1-butyl-3- methylimidizolium diethyleneglycol monomethylethersulfate ([C4mim]DEMGS), and 1-butyl-1 -methylpyrollidinium dihydrogenphosphate ([p1,4]dhp) were tested for their effects on the crystallization of the proteins canavalin, beta-lactoglobulin B, xylanase, and glucose isomerase, using a standard high throughput screen. The crystallization experiments were set up with the ILs added to the protein solutions at 0.2 and 0.4 M final concentrations. Crystallization droplets were set up at three proteixprecipitant ratios (1:1, 2:1, and 4:l), which served to progressively dilute the effects of the screen components while increasing the equilibrium protein and IL concentrations. Crystals were obtained for all four proteins at a number of conditions where they were not obtained from the IL-free control experiment. Over half of the protein-IL combinations tested had more successful outcomes than negative, where the IL-free crystallization was better than the corresponding IL-containing outcome, relative to the control. One of the most common causes of a negative outcome was solubilization of the protein by the IL, resulting in a clear drop. In one instance, we were able to use the IL-induced solubilizing to obtain beta-lactoglobulin B crystals from conditions that gave precipitated protein in the absence of IL. The results suggest that it may be feasible to develop ILs specifically for the task of macromolecule crystallization.

  7. Low Temperature Reduction of Alumina Using Fluorine Containing Ionic Liquids

    SciTech Connect

    Reddy, Ramana

    2009-01-31

    EXECUTIVE SUMMARY The major objective of the project is to establish the feasibility of using specific ionic liquids capable of sustaining aluminum electrolysis near room temperature at laboratory and batch recirculation scales. It will explore new technologies for aluminum and other valuable metal extraction and process methods. The new technology will overcome many of the limitations associated with high temperatures processes such as high energy consumption and corrosion attack. Furthermore, ionic liquids are non-toxic and could be recycled after purification, thus minimizing extraction reagent losses and environmental pollutant emissions. Ionic liquids are mixture of inorganic and organic salts which are liquid at room temperature and have wide operational temperature range. During the last several years, they were emerging as novel electrolytes for extracting and refining of aluminum metals and/or alloys, which are otherwise impossible using aqueous media. The superior high temperature characteristics and high solvating capabilities of ionic liquids provide a unique solution to high temperature organic solvent problems associated with device internal pressure build-up, corrosion, and thermal stability. However their applications have not yet been fully implemented due to the insufficient understanding of the electrochemical mechanisms involved in processing of aluminum with ionic liquids. Laboratory aluminum electrodeposition in ionic liquids has been investigated in chloride and bis (trifluoromethylsulfonyl) imide based ionic liquids. The electrowinning process yielded current density in the range of 200-500 A/m2, and current efficiency of about 90%. The results indicated that high purity aluminum (>99.99%) can be obtained as cathodic deposits. Cyclic voltammetry and chronoamperometry studies have shown that initial stages of aluminum electrodeposition in ionic liquid electrolyte at 30°C was found to be quasi-reversible, with the charge transfer coefficient

  8. Low Temperature Reduction of Alumina Using Fluorine Containing Ionic Liquids

    SciTech Connect

    Reddy, Ramana G

    2009-01-31

    EXECUTIVE SUMMARY The major objective of the project is to establish the feasibility of using specific ionic liquids capable of sustaining aluminum electrolysis near room temperature at laboratory and batch recirculation scales. It will explore new technologies for aluminum and other valuable metal extraction and process methods. The new technology will overcome many of the limitations associated with high temperatures processes such as high energy consumption and corrosion attack. Furthermore, ionic liquids are non-toxic and could be recycled after purification, thus minimizing extraction reagent losses and environmental pollutant emissions. Ionic liquids are mixture of inorganic and organic salts which are liquid at room temperature and have wide operational temperature range. During the last several years, they were emerging as novel electrolytes for extracting and refining of aluminum metals and/or alloys, which are otherwise impossible using aqueous media. The superior high temperature characteristics and high solvating capabilities of ionic liquids provide a unique solution to high temperature organic solvent problems associated with device internal pressure build-up, corrosion, and thermal stability. However their applications have not yet been fully implemented due to the insufficient understanding of the electrochemical mechanisms involved in processing of aluminum with ionic liquids. Laboratory aluminum electrodeposition in ionic liquids has been investigated in chloride and bis (trifluoromethylsulfonyl) imide based ionic liquids. The electrowinning process yielded current density in the range of 200-500 A/m2, and current efficiency of about 90%. The results indicated that high purity aluminum (>99.99%) can be obtained as cathodic deposits. Cyclic voltammetry and chronoamperometry studies have shown that initial stages of aluminum electrodeposition in ionic liquid electrolyte at 30°C was found to be quasi-reversible, with the charge transfer

  9. One-Step Synthesis of Cross-Linked Ionic Polymer Thin Films in Vapor Phase and Its Application to an Oil/Water Separation Membrane.

    PubMed

    Joo, Munkyu; Shin, Jihye; Kim, Jiyeon; You, Jae Bem; Yoo, Youngmin; Kwak, Moo Jin; Oh, Myung Seok; Im, Sung Gap

    2017-02-15

    In spite of the huge research interest, ionic polymers could not have been synthesized in the vapor phase because the monomers of ionic polymers contain nonvolatile ionic salts, preventing the monomers from vaporization. Here, we suggest a new, one-step synthetic pathway to form a series of cross-linked ionic polymers (CIPs) in the vapor phase via initiated chemical vapor deposition (iCVD). 2-(Dimethylamino)ethyl methacrylate (DMAEMA) and 4-vinylbenzyl chloride (VBC) monomers are introduced into the iCVD reactor in the vapor phase to form a copolymer film. Simultaneously in the course of the deposition process, the tertiary amine in DMAEMA and benzylic chloride in VBC undergo a Menshutkin nucleophilic substitution reaction to form an ionic ammonium-chloride complex, forming a highly cross-linked ionic copolymer film of p(DMAEMA-co-VBC). To the best of our knowledge, this is the first report on the synthesis of CIP films in the vapor phase. The newly developed CIP thin film is further applied to the surface modification of the membrane for oil/water separation. With the hydrophilic and underwater oleophobic membrane whose surface is modified with the CIP film, excellent separation efficiency (>99%) and unprecedentedly high permeation flux (average 2.32 × 10(5) L m(-2) h(-1)) are achieved.

  10. Sonofragmentation of Ionic Crystals.

    PubMed

    Kim, Hyo Na; Suslick, Kenneth S

    2017-02-24

    Mechanochemistry deals with the interface between the chemical and the mechanical worlds and explores the physical and chemical changes in materials caused by an input of mechanical energy. As such, the chemical and physical effects of ultrasound, i.e., sonochemistry, are forms of mechanochemistry. In this paper, the fragmentation of ionic crystals during ultrasonic irradiation of slurries has been quantitatively investigated: the rate of fragmentation depends strongly on the strength of the materials (as measured by Vickers hardness or by Young's modulus). This is a mechanochemical extension of the Bell-Evans-Polanyi Principle or Hammond's Postulate: activation energies for solid fracture correlate with binding energies of solids. Sonofragmentation is unaffected by slurry loading or liquid vapor pressure, but is suppressed by increasing liquid viscosity. The mechanism of the particle breakage is consistent with a direct interaction between the shockwaves created by the ultrasound (through acoustic cavitation) and the solid particles in the slurry. Fragmentation is proposed to occur from defects in the solids induced by compression-expansion, bending, or torsional distortions of the crystals.

  11. Hydrophobic ionic liquids

    SciTech Connect

    Koch, V.R.; Nanjundiah, C.; Carlin, R.T.

    1998-10-27

    Ionic liquids having improved properties for application in non-aqueous batteries, electrochemical capacitors, electroplating, catalysis and chemical separations are disclosed. Exemplary compounds have one of the following formulas shown in a diagram wherein R{sub 1}, R{sub 2}, R{sub 3}, R{sub 4}, R{sub 5}, and R{sub 6} are either H; F; separate alkyl groups of from 1 to 4 carbon atoms, respectively, or joined together to constitute a unitary alkylene radical of from 2 to 4 carbon atoms forming a ring structure converging on N; or separate phenyl groups; and wherein the alkyl groups, alkylene radicals or phenyl groups may be substituted with electron withdrawing groups, preferably F-, Cl-, CF{sub 3}-, SF{sub 5}-, CF{sub 3}S-, (CF{sub 3}){sub 2}CHS- or (CF{sub 3}){sub 3}CS-; and X{sup {minus}} is a non-Lewis acid-containing polyatomic anion having a van der Waals volume exceeding 100 {angstrom}{sup 3}. 4 figs.

  12. Hydrophobic ionic liquids

    DOEpatents

    Koch, Victor R.; Nanjundiah, Chenniah; Carlin, Richard T.

    1998-01-01

    Ionic liquids having improved properties for application in non-aqueous batteries, electrochemical capacitors, electroplating, catalysis and chemical separations are disclosed. Exemplary compounds have one of the following formulas: ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, and R.sub.6 are either H; F; separate alkyl groups of from 1 to 4 carbon atoms, respectively, or joined together to constitute a unitary alkylene radical of from 2 to 4 carbon atoms forming a ring structure converging on N; or separate phenyl groups; and wherein the alkyl groups, alkylene radicals or phenyl groups may be substituted with electron withdrawing groups, preferably F--, Cl--, CF.sub.3 --, SF.sub.5 --, CF.sub.3 S--, (CF.sub.3).sub.2 CHS-- or (CF.sub.3).sub.3 CS--; and X.sup.- is a non-Lewis acid-containing polyatomic anion having a van der Waals volume exceeding 100 .ANG..sup.3.

  13. Silver nanoparticle aggregation not triggered by an ionic strength mechanism

    NASA Astrophysics Data System (ADS)

    Botasini, Santiago; Méndez, Eduardo

    2013-04-01

    The synthesis of stable colloidal solutions of silver nanoparticles is a major goal in the industry to control their fate in aqueous solutions. The present work studies 10-20-nm silver nanoparticle aggregation triggered by the presence of chloride ions. The aggregation process was followed by UV-Vis-NIR spectroscopy and transmission electron microscopy. We found that the mechanism involved differs from the classic explanation of nanoparticle aggregation triggered by an increase in the ionic strength. Moreover, our results give evidence that even when nanoparticles are resistant to an increment of the total amount of ions, the formation of insoluble salts in the vicinity of the nanoparticle is enough to induce the aggregation. The presence of silver chloride around the silver nanoparticles was documented by an X-ray diffraction pattern and electrochemical methods because chloride anions are ubiquitous in real media; this alternative process jeopardized the development of many applications with silver nanoparticles that depend on the use of stable colloids.

  14. On the mechanism of radiation-induced polymerization of vinyl monomers in ionic liquid

    NASA Astrophysics Data System (ADS)

    Liu, Yaodong; Wu, Guozhong

    2005-06-01

    An attempt was made to investigate the mechanism controlling the radiation-induced polymerization of vinyl monomers in room temperature ionic liquids. For that purpose, copolymerization of styrene (St) and methyl methacrylate (MMA) was initiated by 60Co gamma radiation in a moisture-stable ionic liquid, [choline chloride][ZnCl 2], and its mixture with THF (4:1 v/v). By analyzing the product composition with FTIR for a series of poly(St-co-MMA) samples, it was found that the mole fraction of St in the copolymer is linearly proportional to the mole fraction of St in the feed. Therefore, radiation polymerization in ionic liquid and its mixture with organic solvent is suggested to be a radical propagating process.

  15. Separation of lignin from corn stover hydrolysate with quantitative recovery of ionic liquid

    SciTech Connect

    Underkofler, Kaylee A.; Teixeira, Rodrigo E.; Pietsch, Stephen A.; Knapp, Kurtis G.; Raines, Ronald T.

    2015-02-20

    Abundant lignocellulosic biomass could become a source of sugars and lignin, potential feedstocks for the now emergent biorenewable economy. The production and conversion of sugars from biomass have been well-studied, but far less is known about the production of lignin that is amenable to valorization. In this paper, we report the isolation of lignin generated from the hydrolysis of biomass dissolved in the ionic liquid 1-butyl-3-methylimidazolium chloride. We show that lignin can be isolated from the hydrolysate slurry by simple filtration or centrifugation, and that the ionic liquid can be recovered quantitatively by a straightforward wash with water. Finally, the isolated lignin is not only free from ionic liquid but also lacks cellulosic residues and is substantially depolymerized, making it a promising feedstock for valorization by conversion into fuels and chemicals.

  16. Impact of surfactant type for ionic liquid pretreatment on enhancing delignification of rice straw.

    PubMed

    Chang, Ken-Lin; Chen, Xi-Mei; Wang, Xiao-Qin; Han, Ye-Ju; Potprommanee, Laddawan; Liu, Jing-Yong; Liao, Yu-Ling; Ning, Xun-An; Sun, Shui-Yu; Huang, Qing

    2017-03-01

    This work describes an environmentally friendly method for pretreating rice straw by using 1-Allyl-3-methylimidazolium chloride ([AMIM]Cl) as an ionic liquid (IL) assisted by surfactants. The impacts of surfactant type (including nonionic-, anionic-, cationic- and bio-surfactant) on the ionic liquid pretreatment were investigated. The bio-surfactant+IL-pretreated rice straw showed significant lignin removal (26.14%) and exhibited higher cellulose conversion (36.21%) than the untreated (16.16%) rice straw. The cellulose conversion of the rice straw pretreated with bio-surfactant+IL was the highest and the lowest was observed for pretreated with cationic-surfactant+IL. Untreated and pretreated rice straw was thoroughly characterized through SEM and AFM. In conclusion, the results provided an effective and environmental method for pretreating lignocellulosic substrates by using green solvent (ionic liquid) and biodegradable bio-surfactant.

  17. Separation of lignin from corn stover hydrolysate with quantitative recovery of ionic liquid

    DOE PAGES

    Underkofler, Kaylee A.; Teixeira, Rodrigo E.; Pietsch, Stephen A.; ...

    2015-02-20

    Abundant lignocellulosic biomass could become a source of sugars and lignin, potential feedstocks for the now emergent biorenewable economy. The production and conversion of sugars from biomass have been well-studied, but far less is known about the production of lignin that is amenable to valorization. In this paper, we report the isolation of lignin generated from the hydrolysis of biomass dissolved in the ionic liquid 1-butyl-3-methylimidazolium chloride. We show that lignin can be isolated from the hydrolysate slurry by simple filtration or centrifugation, and that the ionic liquid can be recovered quantitatively by a straightforward wash with water. Finally, themore » isolated lignin is not only free from ionic liquid but also lacks cellulosic residues and is substantially depolymerized, making it a promising feedstock for valorization by conversion into fuels and chemicals.« less

  18. Separation of Lignin from Corn Stover Hydrolysate with Quantitative Recovery of Ionic Liquid

    PubMed Central

    Underkofler, Kaylee A.; Teixeira, Rodrigo E.; Pietsch, Stephen A.; Knapp, Kurtis G.; Raines, Ronald T.

    2015-01-01

    Abundant lignocellulosic biomass could become a source of sugars and lignin, potential feedstocks for the now emergent bio-renewable economy. The production and conversion of sugars from biomass have been well-studied, but far less is known about the production of lignin that is amenable to valorization. Here we report the isolation of lignin generated from the hydrolysis of biomass dissolved in the ionic liquid 1-butyl-3-methylimidazolium chloride. We show that lignin can be isolated from the hydrolysate slurry by simple filtration or centrifugation, and that the ionic liquid can be recovered quantitatively by a straightforward wash with water. The isolated lignin is not only free from ionic liquid, but also lacks cellulosic residues and is substantially depolymerized, making it a promising feedstock for valorization by conversion into fuels and chemicals. PMID:25866701

  19. Lubiprostone: a chloride channel activator.

    PubMed

    Lacy, Brian E; Levy, L Campbell

    2007-04-01

    In January 2006 the Food and Drug Administration approved lubiprostone for the treatment of chronic constipation in men and women aged 18 and over. Lubiprostone is categorized as a prostone, a bicyclic fatty acid metabolite of prostaglandin E1. Lubiprostone activates a specific chloride channel (ClC-2) in the gastrointestinal (GI) tract to enhance intestinal fluid secretion, which increases GI transit and improves symptoms of constipation. This article reviews the role of chloride channels in the GI tract, describes the structure, function, and pharmacokinetics of lubiprostone, and discusses clinically important data on this new medication.

  20. Stimulation of electrogenic chloride secretion by prostaglandin E2 in guinea-pig isolated gastric mucosa.

    PubMed Central

    Bunce, K T; Spraggs, C F

    1988-01-01

    1. The effects of prostaglandin E2 (PGE2) on ion transport were investigated in guinea-pig isolated gastric mucosa. 2. Under resting conditions the mucosa produced a short-circuit current (SCC), the majority of which could be attributed to electrogenic chloride secretion. This interpretation was confirmed by the dependence of the basal SCC on extracellular chloride, and inhibition by the chloride channel blocker, diphenylamine-2-carboxylate. The mucosa also exhibited low rates of acid secretion and of sodium and rubidium absorption. 3. PGE2 stimulated an increase in net chloride secretion which was more than sufficient to account for the concomitant increase in SCC. As with the basal SCC, the SCC response to PGE2 was chloride dependent and inhibited by diphenylamine-2-carboxylate. PGE2 also significantly increased acid secretion and net rubidium absorption, but these changes were not sufficient to account for SCC. 4. The H+-K+-ATPase inhibitor, omeprazole, inhibited basal and PGE2-stimulated acid secretion, but did not modify the effects the PGE2 on net chloride secretion, SCC or conductance, suggesting that these effects of PGE2 were not related to changes in gastric acid secretion. 5. Both basal and PGE2-stimulated SCC were dependent on extracellular sodium and inhibited by ouabain, indicating the importance of a sodium gradient and the Na+-K+-ATPase in maintaining the electrogenic properties of the mucosa. 6. These results are consistent with the view that PGE2 stimulates electrogenic chloride secretion in guinea-pig gastric mucosa, and provide an ionic basis for the stimulation of secretion of sodium and chloride by prostaglandins observed in mammalian gastric mucosa in vivo. PMID:2458457

  1. β-Lactoglobulin (BLG) binding to highly charged cationic polymer-grafted magnetic nanoparticles: effect of ionic strength.

    PubMed

    Qin, Li; Xu, Yisheng; Han, Haoya; Liu, Miaomiao; Chen, Kaimin; Wang, Siyi; Wang, Jie; Xu, Jun; Li, Li; Guo, Xuhong

    2015-12-15

    Poly(2-(methacryloyloxy)ethyltrimethyl ammonium chloride) (PMATAC) modified magnetic nanoparticles (NPs) with a high zeta potential of ca. 50mV were synthesized by atom transfer radical polymerization (ATRP). The prepared NPs consist of a magnetic core around 13nm and a PMATAC shell around 20nm attached on the surface of magnetic nanoparticles. Thermodynamic binding parameters between β-lactoglobulin and these polycationic NPs were investigated at different ionic strengths by high-resolution turbidimetry, dynamic light scattering (DLS), and isothermal titration calorimetry (ITC). Both turbidity and ITC show that binding affinities for BLG display a non-monotonic ionic strength dependence trend and a maximum appears at ionic strength of 50mM. Such observation should arise from the coeffects of protein charge anisotropy visualized by DelPhi electrostatic modeling and the strong electrostatic repulsion among highly charged NPs at a variety of ionic strengths.

  2. Hydrophilic Ionic Liquids as Ingredients of Gel-Based Dermal Formulations.

    PubMed

    Dobler, Dorota; Schmidts, Thomas; Zinecker, Christina; Schlupp, Peggy; Schäfer, Jens; Runkel, Frank

    2016-08-01

    Ionic liquids (ILs) have several properties that offer many advantages in dermal drug delivery systems. Depending on the chemical structure, ILs can be used for protection against microorganisms, to enhance skin penetration, and as a solvent. In the present work, SEPINEO™ P 600 formulations and hydroxyethylcellulose gels containing the hydrophilic ILs hexylpyridinium chloride, choline dihydrogen phosphate, and 1-ethyl-3-methylimidazolium ethyl sulfate were prepared, and the influence of the ILs on the formulation properties was evaluated. ILs were successfully incorporated into the emulsion structure, resulting in stable formulations. The antimicrobial activity of the ILs was estimated. The minimal inhibitory concentration values for hexylpyridinium chloride are about 2.5 mg/mL. The other two ILs have no antimicrobial activity. Skin penetration enhancement of caffeine, a hydrophilic model substance, was observed in the presence of hexylpyridinium chloride.

  3. Robust surface nano-architecture by alkali-carboxylate ionic bonding.

    PubMed

    Skomski, Daniel; Abb, Sabine; Tait, Steven L

    2012-08-29

    Ionic bonding in supramolecular surface networks is a promising strategy to self-assemble nanostructures from organic building blocks with atomic precision. However, sufficient thermal stability of such systems has not been achieved at metal surfaces, likely due to partial screening of the ionic interactions. We demonstrate excellent stability of a self-assembled ionic network on a metal surface at elevated temperatures. The structure is characterized directly by atomic resolution scanning tunneling microscopy (STM) experiments conducted at 165 °C showing intact domains. This robust nanometer-scale structure is achieved by the on-surface reaction of a simple and inexpensive compound, sodium chloride, with a model system for carboxylate interactions, terephthalic acid (TPA). Rather than distinct layers of TPA and NaCl, angle resolved X-ray photoelectron spectroscopy experiments indicate a replacement reaction on the Cu(100) surface to form Na-carboxylate ionic bonds. Chemical shifts in core level electron states confirm a direct interaction and a +1 charge state of the Na. High-temperature STM imaging shows virtually no fluctuation of Na-TPA island boundaries, revealing a level of thermal stability that has not been previously achieved in noncovalent organic-based nanostructures at surfaces. Comparable strength of intermolecular ionic bonds and intramolecular covalent bonds has been achieved in this surface system. The formation of these highly ordered structures and their excellent thermal stability is dependent on the interplay of adsorbate-substrate and ionic interactions and opens new possibilities for ionic self-assemblies at surfaces with specific chemical function. Robust ionic surface structures have potential uses in technologies requiring high thermal stability and precise ordering through self-assembly.

  4. Multilayer ionic polymer transducer

    NASA Astrophysics Data System (ADS)

    Akle, Barbar J.; Leo, Donald J.

    2003-07-01

    A transducer consisting of multiple layers of ionic polymer material is developed for applications in sensing, actuation, and control. The transducer consists of two to four individual layers each approximately 200 microns thick. The transducers are connected in parallel to minimize the electric field requirements for actuation. The tradeoff in deflection and force can be controlled by controlling the mechanical constraint at the interface. Packaging the transducer in an outer coating produces a hard constraint between layers and reduces the deflection with a force that increases linearly with the number of layers. This configuration also increases the bandwidth of the transducer. Removing the outer packaging produces an actuator that maintains the deflection of a single layer but has an increased force output. This is obtained by allowing the layers to slide relative to one another during bending. Experiments on transducers with one to three layers are performed and the results are compared to Newbury"s equivalent circuit model, which was modified to accommodate the multilayer polymers. The modification was performed on four different boundary conditions, two electrical the series and the parallel connection, and two mechanical the zero interfacial friction and the zero slip on the interface. Results demonstrate that the largest obstacle to obtaining good performance is water transport between the individual layers. Water crossover produces a near short circuit electrical condition and produces feedthrough between actuation layers and sensing layers. Electrical feedthrough due to water crossover eliminates the ability to produce a transducer that has combined sensing and actuation properties. Eliminating water crossover through good insulation enables the development of a small (5 mm x 30 mm) transducer that has sensing and actuation bandwidth on the order of 100 Hz.

  5. [Headspace GC/MS analysis of residual vinyl chloride and vinylidene chloride in polyvinyl chloride and polyvinylidene chloride products].

    PubMed

    Ohno, Hiroyuki; Mutsuga, Motoh; Kawamura, Yoko; Suzuki, Masako; Aoyama, Taiki

    2005-02-01

    A headspace GC/MS analysis method for the simultaneous determination of residual vinyl chloride (VC) and vinylidene chloride (VDC) in polyvinyl chloride (PVC) and polyvinylidene chloride (PVDC) products was developed. A test sample was swelled overnight with N,N-dimethylacetamide in a sealed vial. The vial was incubated for 1 hour at 90 degrees C, then the headspace gas was analyzed by GC/MS using a PLOT capillary column. The recoveries from spiked PVC and PVDC samples were 90.0-112.3% for VC and 85.2-108.3% for VDC. The determination limits were 0.01 microg/g for VC and 0.06/microg/g for VDC, respectively. By this method, VC was detected in two PVC water supply pipes at the levels of 0.61 and 0.01 microg/g. On the other hand, VC and VDC were not detected in any of the food container-packages or toys tested.

  6. Mutagenicity studies of vinyl chloride.

    PubMed Central

    Fabricant, J D; Legator, M S

    1981-01-01

    Mutagenicity studies in both man and in test organisms clearly demonstrate positive mutagenic activity of vinyl chloride. In terms of the mutagenicity studies using a variety of in vitro procedures covering both eukaryotes and prokaryotes, positive effects were found. Cytogenetic in vivo studies in animals and in humans indicate not only somatic mutations, but also germinal effects with this chemical. PMID:7333237

  7. Space-charge at the lithium-lithium chloride interface

    NASA Astrophysics Data System (ADS)

    Jamnik, J.; Gaberscek, M.; Meden, A.; Pejovnik, S.

    1991-06-01

    The electrical properties of the passive layer formed on lithium as the product of the corrosion reaction in thionyl chloride are discussed. The passive layer is regarded as a thin layer of an ionic crystal placed between two party blocking electrodes (i.e., lithium and liquid electrolyte). After a short review of thermodynamic properties of the system, a model for description of the electric properties of the static space-charge regions is presented. On this basis, a comment on and partial reinterpretation of impedance measurements of the passive layer is given. The suggested approach leads to the conclusion that the quality of Li/SOCl2 batteries decisively depends on the properties of the lithium passive layer interface. Finally, experiments to confirm the model are suggested.

  8. Structure of concentrated aqueous solutions of scandium chloride

    NASA Astrophysics Data System (ADS)

    Smirnov, P. R.; Grechin, O. V.

    2017-03-01

    It is shown via X-ray diffraction that aqueous solutions of scandium chloride form ionic associates in a wide range of concentrations. It is established that the Sc3+ ion coordination number increases upon dilution to 8.2 at an unchanged Sc3+-OH2 distance of 0.215 nm. The second coordination sphere of the cation forms at an average distance of 0.420 nm. The number of solvent molecules in the sphere logically increases during dilution. It is concluded that the anion does not form its own sphere in highly concentrated solutions. This coordination sphere begins to form only in solutions with moderate concentrations at a distance of 0.315 nm, and it contains six water molecules in diluted solutions.

  9. Dual Ionic and Organic Nature of Ionic Liquids

    PubMed Central

    Shi, Rui; Wang, Yanting

    2016-01-01

    Inherited the advantages of inorganic salts and organic solvents, ionic liquids (ILs) exhibit many superior properties allowing them promising green solvents for the future. Although it has been widely acknowledged that the unique features of ILs originate from their dual ionic and organic nature, its microscopic physical origin still remains blurry. In this work, by comparing the ion/molecule cage structures obtained from molecular dynamics simulations for seven prototypic liquids—a molten inorganic salt, four ILs, a strongly polar organic solvent, and a weakly polar organic solvent, we have revealed that the depth of the cage energy landscape characterizes the ionic nature of ILs, whereas the slope and curvature of its mimimum determine the organic nature of ILs. This finding advances our understanding of ILs and thus will help their efficient utilization as well as the systematic design of novel functionalized ILs. PMID:26782660

  10. 21 CFR 173.400 - Dimethyldialkylammonium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... acids to form amines that are subsequently reacted with methyl chloride to form the quaternary ammonium... then reacted with 2-ethylhexanal, reduced, methylated, and subsequently reacted with methyl chloride...

  11. 21 CFR 173.400 - Dimethyldialkylammonium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... acids to form amines that are subsequently reacted with methyl chloride to form the quaternary ammonium... then reacted with 2-ethylhexanal, reduced, methylated, and subsequently reacted with methyl chloride...

  12. Method for the abatement of hydrogen chloride

    DOEpatents

    Winston, S.J.; Thomas, T.R.

    1975-11-14

    A method is described for reducing the amount of hydrogen chloride contained in a gas stream by reacting the hydrogen chloride with ammonia in the gas phase so as to produce ammonium chloride. The combined gas stream is passed into a condensation and collection vessel, and a cyclonic flow is created in the combined gas stream as it passes through the vessel. The temperature of the gas stream is reduced in the vessel to below the condensation temperature of ammonium chloride in order to crystallize the ammonium chloride on the walls of the vessel. The cyclonic flow creates a turbulence which breaks off the larger particles of ammonium chloride which are, in turn, driven to the bottom of the vessel where the solid ammonium chloride can be removed from the vessel. The gas stream exiting from the condensation and collection vessel is further cleaned and additional ammonium chloride is removed by passing through additional filters.

  13. Method for the abatement of hydrogen chloride

    DOEpatents

    Winston, Steven J.; Thomas, Thomas R.

    1977-01-01

    The present invention provides a method for reducing the amount of hydrogen chloride contained in a gas stream by reacting the hydrogen chloride with ammonia in the gas phase so as to produce ammonium chloride. The combined gas stream is passed into a condensation and collection vessel and a cyclonic flow is created in the combined gas stream as it passes through the vessel. The temperature of the gas stream is reduced in the vessel to below the condensation temperature of ammonium chloride in order to crystallize the ammonium chloride on the walls of the vessel. The cyclonic flow creates a turbulence which breaks off the larger particles of ammonium chloride which are, in turn, driven to the bottom of the vessel where the solid ammonium chloride can be removed from the vessel. The gas stream exiting from the condensation and collection vessel is further cleaned and additional ammonium chloride is removed by passing through additional filters.

  14. Determination of the quaternary ammonium compounds dequalinium and cetylpyridinium chlorides in candy-based lozenges by high-performance liquid chromatography.

    PubMed

    Taylor, R B; Toasaksiri, S; Reid, R G; Wood, D

    1997-09-01

    The retention behavior of the quaternary ammonium compounds benzalkonium chloride, cetylpyridinium chloride and dequalinium chloride on a 100 x 4.6 mm id cyanopropyl stationary phase column is reported as a function of organic modifier and ionic hydrophobic mobile phase additive concentrations. Optimum liquid chromatographic mobile phases using different mobile phase additives are reported which are suitable for the determination of cetylpyridinium chloride and dequalinium chloride in a variety of candy-based lozenge formulations. The quantitative aspects of assays based on the separation of active ingredients and formulation excipients were established. The generality of application of the assay methods was evaluated by determining the quaternary ammonium content of different lozenges and comparing the values obtained with the stated dose.

  15. Recrystallized quinolinium ionic liquids for electrochemical analysis

    NASA Astrophysics Data System (ADS)

    Selvaraj, Gowri; Wilfred, Cecilia Devi; Eang, Neo Kian

    2016-11-01

    Ionic liquids have received a lot of attention due to their unique properties. In this work the prospect of quinolinium based ionic liquids as electrolyte for dye sensitised solar cell were tested using cyclic voltammetry. The results have shown electron transfer in the ionic liquid without undergoing any permanent chemical changes. Prior to testing, the ionic liquids were purified through recrystallization as electrochemical properties of ionic liquids are highly dependent on the purity of the ionic liquids. This results have shone new light for this work.

  16. Ionic transport properties of template-synthesized gold nanotube membranes

    NASA Astrophysics Data System (ADS)

    Gao, Peng

    Ionic transport in nanotubes exhibits unique properties due to the strong interactions between ions and the nanotube surface. The main objective of my research is to explore and regulate the ionic transport in gold nanotube membranes. Chapter 1 overviews a versatile method of fabricating nanostructured materials, called the template synthesis. Important parameters of the template synthesis are introduced such as templates and deposition methods. The template synthesis method is used to prepare membranes used in this dissertation. Chapter 2 describes a method to increase the ionic conductivity in membranes containing gold nanotubes with small diameter (4 nm). The gold nanotube membrane is prepared by the electroless plating of gold in a commercially available polycarbonate membrane. Voltages are applied to the gold nanotube membrane and fixed charges are injected on the gold nanotube walls. We show that ionic conductivity of the gold nanotube membrane can be enhanced in aqueous potassium chloride (KCl) solution at negative applied voltages. When the most negative voltage (-0.8 V vs. Ag/AgCl) is applied to the membrane, the ionic conductivity of the solution inside the gold nanotube (94 mS.cm-1) is comparable to that of 1 M aqueous KCl, over two orders of magnitude higher than that of the 0.01 M KCl contacting the membrane. Chapter 3 explores another important transport property of the gold nanotube membrane -- ion permselectivity. When the permselective membrane separates two electrolyte solutions at different concentrations, a membrane potential is developed and measured by the potentiometric method. Surface charge density and the ion mobilities are estimated by fitting the experimental data with a pre-existing model. The surface charge density of the gold nanotube membrane in this research is estimated to be 2 muC/cm2. Chapter 4 describes voltage-controlled ionic transport in a gold/polypyrrole membrane doped with sodium dodecylbenzene sulfonate (DBS). Polypyrrole

  17. Vaporisation and thermal decomposition of dialkylimidazolium halide ion ionic liquids.

    PubMed

    Lovelock, Kevin R J; Armstrong, James P; Licence, Peter; Jones, Robert G

    2014-01-28

    Vaporisation and liquid phase thermal decomposition, TD, of two halide ion ionic liquids, 1-octyl-3-methylimidazolium chloride, [C8C1Im]Cl, and 1-octyl-3-methylimidazolium iodide, [C8C1Im]I, are investigated using temperature programmed desorption (TPD) line of sight mass spectrometry (LOSMS) at ultra-high vacuum (UHV). The ability to use MS to distinguish between vaporisation and TD allows the thermodynamics/kinetics of both vaporisation and TD to be investigated within the same experiments. Vaporisation of both halide ion ionic liquids is demonstrated. For both [C8C1Im]Cl and [C8C1Im]I the vapour is shown to be composed of neutral ion pairs (NIPs). The enthalpy of vaporisation at temperature T, ΔvapHT, was experimentally determined as ΔvapH455 = 151 ± 10 kJ mol(-1) for [C8C1Im]Cl and ΔvapH480 = 149 ± 8 kJ mol(-1) for [C8C1Im]I. Extrapolation of ΔvapHT to the reference temperature, 298 K, gave ΔvapH298 = 166 ± 10 kJ mol(-1) for [C8C1Im]Cl and ΔvapH298 = 167 ± 8 kJ mol(-1) for [C8C1Im]I, higher than most ΔvapH298 values measured to date for other [C8C1Im](+)-containing ionic liquids. In addition, predictions of ΔvapH298 for other halide ion ionic liquids are made. Liquid phase TD is shown to proceed via nucleophilic substitution to give two sets of products: 1-octylimidazole and methylhalide, and 1-methylimidazole and 1-octylhalide. The activation energy of TD at a temperature T, Ea,TD,T, is measured for the nucleophilic substitution of [C8C1Im]I to give methyliodide; Ea,TD,480 = 136 ± 15 kJ mol(-1). Ea,TD,T is measured for the nucleophilic substitution of [C8C1Im]Cl to give methylchloride; Ea,TD,455 = 132 ± 10 kJ mol(-1). The fact that ΔvapHT and Ea,TD,T are the same (within error) for both ionic liquids is commented upon, and conclusions are drawn as to the thermal stability of these ionic liquids.

  18. Reduction of Metal Oxide to Metal using Ionic Liquids

    SciTech Connect

    Dr. Ramana Reddy

    2012-04-12

    A novel pathway for the high efficiency production of metal from metal oxide means of electrolysis in ionic liquids at low temperature was investigated. The main emphasis was to eliminate the use of carbon and high temperature application in the reduction of metal oxides to metals. The emphasis of this research was to produce metals such as Zn, and Pb that are normally produced by the application of very high temperatures. The reduction of zinc oxide to zinc and lead oxide to lead were investigated. This study involved three steps in accomplishing the final goal of reduction of metal oxide to metal using ionic liquids: 1) Dissolution of metal oxide in an ionic liquid, 2) Determination of reduction potential using cyclic voltammetry (CV) and 3) Reduction of the dissolved metal oxide. Ionic liquids provide additional advantage by offering a wide potential range for the deposition. In each and every step of the process, more than one process variable has been examined. Experimental results for electrochemical extraction of Zn from ZnO and Pb from PbO using eutectic mixtures of Urea ((NH2)2CO) and Choline chloride (HOC2H4N(CH3)3+Cl-) or (ChCl) in a molar ratio 2:1, varying voltage and temperatures were carried out. Fourier Transform Infra-Red (FTIR) spectroscopy studies of ionic liquids with and without metal oxide additions were conducted. FTIR and induction coupled plasma spectroscopy (ICPS) was used in the characterization of the metal oxide dissolved ionic liquid. Electrochemical experiments were conducted using EG&G potentiostat/galvanostat with three electrode cell systems. Cyclic voltammetry was used in the determination of reduction potentials for the deposition of metals. Chronoamperometric experiments were carried out in the potential range of -0.6V to -1.9V for lead and -1.4V to -1.9V for zinc. The deposits were characterized using XRD and SEM-EDS for phase, morphological and elemental analysis. The results showed that pure metal was deposited on the cathode

  19. Microbial reductive dehalogenation of vinyl chloride

    DOEpatents

    Spormann, Alfred M [Stanford, CA; Muller, Jochen A [Baltimore, MD; Rosner, Bettina M [Berlin, DE; Von Abendroth, Gregory [Mannheim, DE; Meshulam-Simon, Galit [Los Angeles, CA; McCarty, Perry L [Stanford, CA

    2014-02-11

    Compositions and methods are provided that relate to the bioremediation of chlorinated ethenes, particularly the bioremediation of vinyl chloride by Dehalococcoides-like organisms. An isolated strain of bacteria, Dehalococcoides sp. strain VS, that metabolizes vinyl chloride is provided; the genetic sequence of the enzyme responsible for vinyl chloride dehalogenation; methods of assessing the capability of endogenous organisms at an environmental site to metabolize vinyl chloride; and a method of using the strains of the invention for bioremediation.

  20. Microbial reductive dehalogenation of vinyl chloride

    DOEpatents

    Spormann, Alfred M [Stanford, CA; Muller, Jochen A [Baltimore, MD; Rosner, Bettina M [Berlin, DE; Von Abendroth, Gregory [Nannhein, DE; Meshulam-Simon, Galit [Los Altos, CA; McCarty, Perry L [Stanford, CA

    2011-11-22

    Compositions and methods are provided that relate to the bioremediation of chlorinated ethenes, particularly the bioremediation of vinyl chloride by Dehalococcoides-like organisms. An isolated strain of bacteria, Dehalococcoides sp. strain VS, that metabolizes vinyl chloride is provided; the genetic sequence of the enzyme responsible for vinyl chloride dehalogenation; methods of assessing the capability of endogenous organisms at an environmental site to metabolize vinyl chloride; and a method of using the strains of the invention for bioremediation.

  1. Cystic Fibrosis (CF): Chloride Sweat Test

    MedlinePlus

    ... to 2-Year-Old Cystic Fibrosis (CF) Chloride Sweat Test KidsHealth > For Parents > Cystic Fibrosis (CF) Chloride Sweat Test Print A A A What's in this ... en el sudor What It Is A chloride sweat test helps diagnose cystic fibrosis (CF) , an inherited ...

  2. 75 FR 33824 - Barium Chloride From China

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-15

    ... COMMISSION Barium Chloride From China Determination On the basis of the record\\1\\ developed in the subject... order on barium chloride from China would be likely to lead to continuation or recurrence of material... Barium Chloride from China: Investigation No. 731-TA-149 (Third Review). By order of the...

  3. 21 CFR 182.8252 - Choline chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Choline chloride. 182.8252 Section 182.8252 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8252 Choline chloride. (a) Product. Choline chloride....

  4. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Zinc chloride. 182.8985 Section 182.8985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride. (a) Product. Zinc chloride. (b)...

  5. 7 CFR 58.434 - Calcium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 3 2012-01-01 2012-01-01 false Calcium chloride. 58.434 Section 58.434 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Material § 58.434 Calcium chloride. Calcium chloride, when used, shall meet the requirements of the...

  6. 21 CFR 582.1193 - Calcium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Calcium chloride. 582.1193 Section 582.1193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1193 Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This...

  7. 21 CFR 582.6193 - Calcium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Calcium chloride. 582.6193 Section 582.6193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This substance is...

  8. 21 CFR 582.3845 - Stannous chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Stannous chloride. 582.3845 Section 582.3845 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL....3845 Stannous chloride. (a) Product. Stannous chloride. (b) Tolerance. This substance is...

  9. 49 CFR 173.322 - Ethyl chloride.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 2 2012-10-01 2012-10-01 false Ethyl chloride. 173.322 Section 173.322 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS MATERIALS SAFETY... SHIPMENTS AND PACKAGINGS Gases; Preparation and Packaging § 173.322 Ethyl chloride. Ethyl chloride must...

  10. 21 CFR 172.180 - Stannous chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Stannous chloride. 172.180 Section 172.180 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD... chloride. The food additive stannous chloride may be safely used for color retention in asparagus packed...

  11. 21 CFR 172.180 - Stannous chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Stannous chloride. 172.180 Section 172.180 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Food Preservatives § 172.180 Stannous chloride. The food additive stannous chloride may be safely...

  12. 49 CFR 173.322 - Ethyl chloride.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 2 2013-10-01 2013-10-01 false Ethyl chloride. 173.322 Section 173.322 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS MATERIALS SAFETY... SHIPMENTS AND PACKAGINGS Gases; Preparation and Packaging § 173.322 Ethyl chloride. Ethyl chloride must...

  13. 7 CFR 58.434 - Calcium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 3 2013-01-01 2013-01-01 false Calcium chloride. 58.434 Section 58.434 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Material § 58.434 Calcium chloride. Calcium chloride, when used, shall meet the requirements of the...

  14. 21 CFR 172.180 - Stannous chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Stannous chloride. 172.180 Section 172.180 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Food Preservatives § 172.180 Stannous chloride. The food additive stannous chloride may be safely...

  15. 49 CFR 173.322 - Ethyl chloride.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 2 2014-10-01 2014-10-01 false Ethyl chloride. 173.322 Section 173.322 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS MATERIALS SAFETY... SHIPMENTS AND PACKAGINGS Gases; Preparation and Packaging § 173.322 Ethyl chloride. Ethyl chloride must...

  16. 7 CFR 58.434 - Calcium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false Calcium chloride. 58.434 Section 58.434 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Material § 58.434 Calcium chloride. Calcium chloride, when used, shall meet the requirements of the...

  17. 21 CFR 582.3845 - Stannous chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Stannous chloride. 582.3845 Section 582.3845 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL....3845 Stannous chloride. (a) Product. Stannous chloride. (b) Tolerance. This substance is...

  18. 49 CFR 173.322 - Ethyl chloride.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false Ethyl chloride. 173.322 Section 173.322 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS MATERIALS SAFETY... SHIPMENTS AND PACKAGINGS Gases; Preparation and Packaging § 173.322 Ethyl chloride. Ethyl chloride must...

  19. 21 CFR 582.3845 - Stannous chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Stannous chloride. 582.3845 Section 582.3845 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL....3845 Stannous chloride. (a) Product. Stannous chloride. (b) Tolerance. This substance is...

  20. 21 CFR 172.180 - Stannous chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Stannous chloride. 172.180 Section 172.180 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN... Preservatives § 172.180 Stannous chloride. The food additive stannous chloride may be safely used for...

  1. 21 CFR 582.3845 - Stannous chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Stannous chloride. 582.3845 Section 582.3845 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL....3845 Stannous chloride. (a) Product. Stannous chloride. (b) Tolerance. This substance is...

  2. 7 CFR 58.434 - Calcium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 3 2011-01-01 2011-01-01 false Calcium chloride. 58.434 Section 58.434 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Material § 58.434 Calcium chloride. Calcium chloride, when used, shall meet the requirements of the...

  3. 21 CFR 582.1193 - Calcium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Calcium chloride. 582.1193 Section 582.1193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1193 Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This...

  4. 21 CFR 582.1193 - Calcium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Calcium chloride. 582.1193 Section 582.1193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1193 Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This...

  5. 21 CFR 582.1193 - Calcium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Calcium chloride. 582.1193 Section 582.1193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1193 Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This...

  6. 21 CFR 582.3845 - Stannous chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Stannous chloride. 582.3845 Section 582.3845 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL....3845 Stannous chloride. (a) Product. Stannous chloride. (b) Tolerance. This substance is...

  7. 21 CFR 173.400 - Dimethyldialkylammonium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Dimethyldialkylammonium chloride. 173.400 Section... HUMAN CONSUMPTION Specific Usage Additives § 173.400 Dimethyldialkylammonium chloride. Dimethyldialkylammonium chloride may be safely used in food in accordance with the following prescribed conditions:...

  8. 21 CFR 582.6193 - Calcium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Calcium chloride. 582.6193 Section 582.6193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This substance is...

  9. 21 CFR 582.6193 - Calcium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Calcium chloride. 582.6193 Section 582.6193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This substance is...

  10. 21 CFR 173.400 - Dimethyldialkylammonium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Dimethyldialkylammonium chloride. 173.400 Section... HUMAN CONSUMPTION Specific Usage Additives § 173.400 Dimethyldialkylammonium chloride. Dimethyldialkylammonium chloride may be safely used in food in accordance with the following prescribed conditions:...

  11. 21 CFR 582.6193 - Calcium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Calcium chloride. 582.6193 Section 582.6193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This substance is...

  12. 7 CFR 58.434 - Calcium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 3 2014-01-01 2014-01-01 false Calcium chloride. 58.434 Section 58.434 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Material § 58.434 Calcium chloride. Calcium chloride, when used, shall meet the requirements of the...

  13. 21 CFR 172.180 - Stannous chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Stannous chloride. 172.180 Section 172.180 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Food Preservatives § 172.180 Stannous chloride. The food additive stannous chloride may be safely...

  14. 21 CFR 582.6193 - Calcium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Calcium chloride. 582.6193 Section 582.6193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This substance is...

  15. 21 CFR 582.1193 - Calcium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Calcium chloride. 582.1193 Section 582.1193 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1193 Calcium chloride. (a) Product. Calcium chloride. (b) Conditions of use. This...

  16. 21 CFR 582.5622 - Potassium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Potassium chloride. 582.5622 Section 582.5622 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Supplements 1 § 582.5622 Potassium chloride. (a) Product. Potassium chloride. (b) Conditions of use....

  17. 21 CFR 582.5622 - Potassium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Potassium chloride. 582.5622 Section 582.5622 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Supplements 1 § 582.5622 Potassium chloride. (a) Product. Potassium chloride. (b) Conditions of use....

  18. REMOVAL OF CHLORIDE FROM AQUEOUS SOLUTIONS

    DOEpatents

    Schulz, W.W.

    1959-08-01

    The removal of chlorides from aqueons solutions is described. The process involves contacting the aqueous chloride containing solution with a benzene solution about 0.005 M in phenyl mercuric acetate whereby the chloride anions are taken up by the organic phase and separating the organic phase from the aqueous solutions.

  19. Cystic Fibrosis (CF): Chloride Sweat Test

    MedlinePlus

    ... 1- to 2-Year-Old Cystic Fibrosis (CF) Chloride Sweat Test KidsHealth > For Parents > Cystic Fibrosis (CF) Chloride Sweat Test A A A What's in this ... cloruro en el sudor What It Is A chloride sweat test helps diagnose cystic fibrosis (CF) , an ...

  20. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  1. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  2. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  3. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  4. 21 CFR 582.5985 - Zinc chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Zinc chloride. 582.5985 Section 582.5985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS... 1 § 582.5985 Zinc chloride. (a) Product. Zinc chloride. (b) Conditions of use. This substance...

  5. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  6. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  7. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ammonium chloride. 184.1138 Section 184.1138...

  8. 21 CFR 184.1138 - Ammonium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    .... No. 12125-02-9) is produced by the reaction of sodium chloride and an ammonium salt in solution. The less soluble sodium salt separates out at elevated temperatures, and ammonium chloride is recovered... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ammonium chloride. 184.1138 Section 184.1138...

  9. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Magnesium chloride. 184.1426 Section 184.1426 Food... Specific Substances Affirmed as GRAS § 184.1426 Magnesium chloride. (a) Magnesium chloride (MgC12·6H2O, CAS... mineral bischofite. It is prepared by dissolving magnesium oxide, hydroxide, or carbonate in...

  10. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Magnesium chloride. 184.1426 Section 184.1426 Food... Specific Substances Affirmed as GRAS § 184.1426 Magnesium chloride. (a) Magnesium chloride (MgC12·6H2O, CAS... mineral bischofite. It is prepared by dissolving magnesium oxide, hydroxide, or carbonate in...

  11. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Magnesium chloride. 184.1426 Section 184.1426 Food... Specific Substances Affirmed as GRAS § 184.1426 Magnesium chloride. (a) Magnesium chloride (MgC12·6H2O, CAS... mineral bischofite. It is prepared by dissolving magnesium oxide, hydroxide, or carbonate in...

  12. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Magnesium chloride. 184.1426 Section 184.1426 Food... Specific Substances Affirmed as GRAS § 184.1426 Magnesium chloride. (a) Magnesium chloride (MgC12·6H2O, CAS... mineral bischofite. It is prepared by dissolving magnesium oxide, hydroxide, or carbonate in...

  13. Chloride removal from recycled cooling water using ultra-high lime with aluminum process.

    PubMed

    Abdel-Wahab, Ahmed; Batchelor, Bill

    2002-01-01

    Chloride is a deleterious ionic species in cooling water systems because it promotes corrosion, and most of the scale and corrosion inhibitors are sensitive to chloride concentration in the water. Chloride can be removed from cooling water by precipitation as calcium chloroaluminate [Ca4Al2Cl2(OH)12]. A set of equilibrium experiments and one kinetic experiment were conducted to evaluate chloride removal using the ultra-high lime with aluminum (UHLA) process and to characterize the equilibrium conditions of calcium chloroaluminate precipitation. A total of 48 batch-equilibrium experiments were conducted on a 30 mM NaCl solution over a range of values for lime dose (0 to 200 mM) and sodium aluminate dose (0 to 100 mM). Experimental results showed that the UHLA process can remove chloride and that the formation of a calcium chloroaluminate solid phase is a reasonable mechanism that is able to adequately describe experimental results. An average value of the ion activity product of 10(-94.75) was obtained and can be used as an estimate of the solubility product for Ca4Al2Cl2(OH)12.

  14. Worker exposure to vinyl chloride and poly(vinyl chloride).

    PubMed Central

    Jones, J H

    1981-01-01

    The National Institute for Occupational Safety and Health (NIOSH) in early 1974 began industrial hygiene studies of vinyl chloride exposed workers. Three VC monomer plants, three VC polymerization plants, and seven PVC fabrication plants were surveyed. V polymerization plant workers and workers in one job category in VC monomer plants were exposed to average levels above 1 ppm. The highest average exposure was 22 ppm. NIOSH health hazard evaluation studies since these initial surveys have primarily shown nondetectable levels of vinyl chloride. A NIOSH control technology study in 1977 showed that exposure levels in VC polymerization plants had been drastically reduced but exposure levels above 1 ppm were still found in several cases. PMID:7333231

  15. Speciation, conductivities, diffusivities, and electrochemical reduction as a function of water content in mixtures of hydrated chromium chloride/choline chloride.

    PubMed

    McCalman, Dorrell C; Sun, Liyuan; Zhang, Yong; Brennecke, Joan F; Maginn, Edward J; Schneider, William F

    2015-05-14

    We report experiments and simulations to understand the factors that control chromium (Cr(3+)) electrodeposition from ionic liquid solutions. Speciation, conductivities and diffusivities in mixtures of trivalent chromium chloride, water and choline chloride (CrCl3/xH2O/yChCl) were computed from molecular dynamics simulations and compared to measured ultraviolet-visible spectra, conductivities from electrical impedance spectroscopy, and cyclic voltammograms. Computed changes in Cr(3+) first solvation shell and conductivity with solution composition qualitatively agree with experimental observations. The Cr(3+) first solvation shell contains predominantly H2O and Cl(-) and the proportion of the two ligands changes with the relative bulk concentrations of each. Conductivities and diffusivities are observed to be functions of these composition variables. Variations in observed reduction current are primarily determined by dynamical properties and are less influenced by speciation.

  16. Lithium ion conducting ionic electrolytes

    DOEpatents

    Angell, C.A.; Xu, K.; Liu, C.

    1996-01-16

    A liquid, predominantly lithium-conducting, ionic electrolyte is described which has exceptionally high conductivity at temperatures of 100 C or lower, including room temperature. It comprises molten lithium salts or salt mixtures in which a small amount of an anionic polymer lithium salt is dissolved to stabilize the liquid against recrystallization. Further, a liquid ionic electrolyte which has been rubberized by addition of an extra proportion of anionic polymer, and which has good chemical and electrochemical stability, is described. This presents an attractive alternative to conventional salt-in-polymer electrolytes which are not cationic conductors. 4 figs.

  17. Lithium ion conducting ionic electrolytes

    DOEpatents

    Angell, C. Austen; Xu, Kang; Liu, Changle

    1996-01-01

    A liquid, predominantly lithium-conducting, ionic electrolyte is described which has exceptionally high conductivity at temperatures of 100.degree. C. or lower, including room temperature. It comprises molten lithium salts or salt mixtures in which a small amount of an anionic polymer lithium salt is dissolved to stabilize the liquid against recrystallization. Further, a liquid ionic electrolyte which has been rubberized by addition of an extra proportion of anionic polymer, and which has good chemical and electrochemical stability, is described. This presents an attractive alternative to conventional salt-in-polymer electrolytes which are not cationic conductors.

  18. Surface tension of ionic liquids and ionic liquid solutions.

    PubMed

    Tariq, Mohammad; Freire, Mara G; Saramago, Benilde; Coutinho, João A P; Lopes, José N Canongia; Rebelo, Luís Paulo N

    2012-01-21

    Some of the most active scientific research fronts of the past decade are centered on ionic liquids. These fluids present characteristic surface behavior and distinctive trends of their surface tension versus temperature. One way to explore and understand their unique nature is to study their surface properties. This critical review analyses most of the surface tension data reported between 2001 and 2010 (187 references).

  19. Hydrogels dispersed by doped rare earth fluoride nanocrystals: ionic liquid dispersion and down/up-conversion luminescence.

    PubMed

    Yan, Zhi-Yuan; Jia, Li-Ping; Yan, Bing

    2014-01-01

    Two typical kinds of rare earth fluoride nanocrystals codoped with rare earth ions (Eu(3+) and Tm(3+)/Er(3+),Yb(3+)) are synthesized and dispersed in ionic liquid compound (1-chlorohexane-3-methylimidazolium chloride, abbreviated as [C6mim][Cl]). Assisted by agarose, the luminescent hydrogels are prepared homogeneously. The down/up-conversion luminescence of these hydrogels can be realized for the dispersed rare earth fluoride nanocrystals. The results provide a strategy to prepare luminescent (especially up-conversion luminescent) hydrogels with ionic liquid to disperse rare earth fluoride nanocrystals.

  20. Can the Transport Properties of Molten Salts and Ionic Liquids Be Used To Determine Ion Association?

    PubMed

    Harris, Kenneth R

    2016-12-01

    There have long been arguments supporting the concept of ion association in molten salts and ionic liquids, largely based on differences between the conductivity and that predicted from self-diffusion coefficients by the Nernst-Einstein equation for noninteracting ions. It is known from molecular dynamics simulations that even simple models based on charged hard spheres show such a difference due to the (anti)-correlation of ion motions. Formally this is expressed as a difference between the velocity cross-correlation coefficient of the oppositely charged ions and the mean of those for the two like-charged ions. This article examines molten salt and ionic liquid transport property data, comparing simple and model associated salts (ZnCl2, PbCl2, and TlCl) including weakly dissociated molecular liquids (H2O, HCOOH, H2SO4). Analysis employing Laity resistance coefficients (rij) shows that the common ion-association rationalization is flawed, consistent with recent direct measurements of the degree of ionicity in ionic liquid chlorides and with theoretical studies. However, the protic ionic liquids [PyrOMe][BF4] and [DBUH][CH3SO3] have larger than usual NE deviation parameters (>0.5), and large negative like-ion rii, analogous to those of ZnCl2. Structural, spectroscopic, and theoretical studies are suggested to determine whether these are indeed genuine examples of association.

  1. Excited-state proton transfer of fluorescein anion as an ionic liquid component.

    PubMed

    Rodrigues, Catarina A B; Graça, Cátia; Maçôas, Ermelinda; Fedorov, Alexander; Afonso, Carlos A M; Martinho, José M G

    2013-11-14

    Fluorescent ionic liquids (FILs) incorporating the fluorescein anion have been prepared by anion exchange of the parent quaternary ammonium chloride (Quat(+)Cl(-)) ionic liquid. By controlling the molar ratio of fluorescein to Quat(+)Cl(-), ionic liquids incorporating different prototropic forms of fluorescein were prepared. The 1:1 molar ratio ionic liquid (FIL1) is essentially composed of monoanionic fluorescein, while dianionic fluorecein is predominant in the FIL with a 1:2 molar ratio (FIL2). The fluorescence excitation spectrum of FIL2 is markedly different from its absorption spectrum. Absorption features the fluorescein dianion, while the excitation spectrum is exclusively due to the monoanion. In FIL1, the absorption and excitation spectra are both characteristic of the monoanion. In both FILs, emission of the dianion is observed upon excitation of the monoanion. This unusual behavior is interpreted in the context of a fast deprotonation of the monoanion in the excited state. The presence of residual water in the ionic liquid is important for the proton transfer process. By lowering the pH of FIL1, the transient proton transfer is inhibited, and the emission of the monoanion could be observed. The FILs have completely different spectroscopic properties from solvated fluorescein in Quat(+)Cl(-), where the prototropic equilibrium is shifted toward the neutral forms.

  2. Modeling interactions between lignocellulose and ionic liquids using DFT-D.

    PubMed

    Janesko, Benjamin G

    2011-06-21

    Dissolution of lignocellulose in ionic liquids is a promising route to synthesizing fuels and chemical feedstocks from woody plant materials. While cellulose dissolution is well-understood, less is known about the differences between ionic liquids' interactions with cellulose vs. lignin. This work uses dispersion-corrected density functional theory (DFT-D) to model the interactions of imidazolium chloride ionic liquid anions and cations with (1,4)-dimethoxy-β-D-glucopyranose and 1-(4-methoxyphenyl)-2-methoxyethanol as models for cellulose and the lignin polyphenol, respectively. The cellulose model preferentially interacts with Cl(-), confirming previous experimental and theoretical studies. However, the lignin model has significant π-stacking and hydrogen bonding interactions with imidazolium cation. These results are robust to changes in the computational details, and suggest that the ionic liquid cations play important roles in tuning the relative solubilities of lignin and cellulose. Calculations predict that the extended π-systems of benzimidazolium ionic liquids yield stronger interactions with lignin, showing potential for improved lignocellulose solvents.

  3. Hydrolysis of microcrystalline cellulose using functionalized Bronsted acidic ionic liquids - A comparative study.

    PubMed

    Parveen, Firdaus; Patra, Tanmoy; Upadhyayula, Sreedevi

    2016-01-01

    Cellulose conversion to platform chemicals is required to meet the demands of increasing population and modernization of the world. Hydrolysis of microcrystalline cellulose was studied with SO3H, COOH and OH functionalized imidazole based ionic liquid using 1-butyl-3-methylimidazolium chloride [BMIM]Cl as a solvent. The influence of temperature, time, acidity of ionic liquids and catalyst loading was studied on hydrolysis reaction. The maximum %TRS yield 85%, was obtained at 100°C and 90min with 0.2g of SO3H functionalized ionic liquid. UV-vis spectroscopy using 4-nitro aniline as an indicator was performed to find out the Hammett function of ionic liquid and acidity trends are as follows: SO3H>COOH>OH. Density functional theory (DFT) calculations were performed to optimize the ionic liquid and their conjugate bases at B3LYP 6-311G++ (d, p) level using Gaussian 09 program. Theoretical findings are in agreement with the experimental results.

  4. "Practical" Electrospinning of Biopolymers in Ionic Liquids.

    PubMed

    Shamshina, Julia L; Zavgorodnya, Oleksandra; Bonner, Jonathan R; Gurau, Gabriela; Di Nardo, Thomas; Rogers, Robin D

    2017-01-10

    To address the need to scale up technologies for electrospinning of biopolymers from ionic liquids to practical volumes, a setup for the multi-needle electrospinning of chitin using the ionic liquid 1-ethyl-3-methylimidazolium acetate, [C2 mim]-[OAc], was designed, built, and demonstrated. Materials with controllable and high surface area were prepared at the nanoscale using ionic-liquid solutions of high-molecular-weight chitin extracted with the same ionic liquid directly from shrimp shells.

  5. Nanoparticle enhanced ionic liquid heat transfer fluids

    DOEpatents

    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.

  6. Chloride flux out of Yellowstone National Park

    USGS Publications Warehouse

    Norton, D.R.; Friedman, I.

    1985-01-01

    Monitoring of the chloride concentration, electrical conductivity, and discharge was carried out for the four major rivers of Yellowstone National Park from September 1982 to January 1984. Chloride flux out of the Park was determined from the measured values of chloride concentration and discharge. The annual chloride flux from the Park was 5.86 ?? 1010 g. Of this amount 45% was from the Madison River drainage basin, 32% from the Yellowstone River basin, 12% from the Snake River basin, and 11% from the Falls River basin. Of the annual chloride flux from the Yellowstone River drainage basin 36% was attributed to the Yellowstone Lake drainage basin. The geothermal contribution to the chloride flux was determined by subtracting the chloride contribution from rock weathering and atmospheric precipitation and is 94% of the total chloride flux. Calculations of the geothermal chloride flux for each river are given and the implications of an additional chloride flux out of the western Park boundary discussed. An anomalous increase in chloride flux out of the Park was observed for several weeks prior to the Mt. Borah earthquake in Central Idaho on October 28, 1983, reaching a peak value shortly thereafter. It is suggested that the rise in flux was a precursor of the earthquake. The information in this paper provides baseline data against which future changes in the hydrothermal systems can be measured. It also provides measurements related to the thermal contributions from the different drainage basins of the Park. ?? 1985.

  7. Shock compression of polyvinyl chloride

    NASA Astrophysics Data System (ADS)

    Neogi, Anupam; Mitra, Nilanjan

    2016-04-01

    This study presents shock compression simulation of atactic polyvinyl chloride (PVC) using ab-initio and classical molecular dynamics. The manuscript also identifies the limits of applicability of classical molecular dynamics based shock compression simulation for PVC. The mechanism of bond dissociation under shock loading and its progression is demonstrated in this manuscript using the density functional theory based molecular dynamics simulations. The rate of dissociation of different bonds at different shock velocities is also presented in this manuscript.

  8. High-flux ionic diodes, ionic transistors and ionic amplifiers based on external ion concentration polarization by an ion exchange membrane: a new scalable ionic circuit platform.

    PubMed

    Sun, Gongchen; Senapati, Satyajyoti; Chang, Hsueh-Chia

    2016-04-07

    A microfluidic ion exchange membrane hybrid chip is fabricated using polymer-based, lithography-free methods to achieve ionic diode, transistor and amplifier functionalities with the same four-terminal design. The high ionic flux (>100 μA) feature of the chip can enable a scalable integrated ionic circuit platform for micro-total-analytical systems.

  9. High-flux ionic diodes, ionic transistors and ionic amplifiers based on external ion concentration polarization by an ion exchange membrane: a new scalable ionic circuit platform†

    PubMed Central

    Sun, Gongchen; Senapati, Satyajyoti

    2016-01-01

    A microfluidic-ion exchange membrane hybrid chip is fabricated by polymer-based, lithography-free methods to achieve ionic diode, transistor and amplifier functionalities with the same four-terminal design. The high ionic flux (> 100 μA) feature of the chip can enable a scalable integrated ionic circuit platform for micro-total-analytical systems. PMID:26960551

  10. Phase selective synthesis of quantum cutting nanophosphors and the observation of a spontaneous room temperature phase transition.

    PubMed

    Ghosh, Pushpal; Mudring, Anja-Verena

    2016-04-21

    Oxygen-free Eu(3+)-doped NaGdF4 nanocrystals with high quantum cutting efficiency are accessible at low temperatures (room temperature to 80 °C) using task-specific ionic liquids (ILs) as structure directing agents and only water as solvent. Selective tuning of the shape, morphology and, most importantly, the crystal phase of the host lattice is achieved by changing the alkyl side length, the H-bonding capabilities and the concentration of 1-alkyl-3-methylimidazolium bromide ILs, [C(n)mim]Br. When using [C2mim]Br, hexagonal NaGdF4 nanoparticles are obtained. In the case of methylimidazolium bromides with longer pendant alkyl chains such as butyl (C4), octyl (C8) or decyl (C10), extremely small nanoparticles of the cubic polymorph form, which then convert even at room temperature (RT) to the thermodynamically favored hexagonal modification. To the best of our knowledge, this kind of spontaneous phase transition is not yet reported. The hexagonal nanomaterial shows a substantial quantum cutting efficiency (154%) whilst in the cubic material, the effect is negligible (107%). The easy yet highly phase selective green synthesis of the materials promises large scale industrial application in environmentally benign energy efficient lighting.

  11. Ab initio study on SN2 reaction of methyl p-nitrobenzenesulfonate and chloride anion in [mmim][PF6].

    PubMed

    Hayaki, Seigo; Kido, Kentaro; Sato, Hirofumi; Sakaki, Shigeyoshi

    2010-02-28

    A S(N)2 reaction of methyl p-nitrobenzenesulfonate (p-NBS) and chloride anion in ionic liquid ([mmim][PF(6)]) was studied using RISM-SCF-SEDD method coupled with a highly sophisticated ab initio electronic structure theory (CCSD). The solvation structure as well as the energy profile along the reaction were discussed through comparison with an ordinary solvent system, dichloromethane.

  12. Design of Energetic Ionic Liquids

    DTIC Science & Technology

    2010-04-15

    dynamics and structure in imidazolium -based ionic liquids/water mixtures. [15] The results of density and molar volume profile from MD simulations are...depending upon their respective attachment to boron or oxygen). The large blue sphere represents imidazolium ring. (b) The average sizes of cation

  13. Fluctuating hydrodynamics for ionic liquids

    NASA Astrophysics Data System (ADS)

    Lazaridis, Konstantinos; Wickham, Logan; Voulgarakis, Nikolaos

    2017-04-01

    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.

  14. Properties of an ionic liquid-tolerant Bacillus amyloliquefaciens CMW1 and its extracellular protease.

    PubMed

    Kurata, Atsushi; Senoo, Humiya; Ikeda, Yasuyuki; Kaida, Hideaki; Matsuhara, Chiaki; Kishimoto, Noriaki

    2016-07-01

    An ionic liquid-tolerant bacterium, Bacillus amyloliquefaciens CMW1, was isolated from a Japanese fermented soybean paste. Strain CMW1 grew in the presence of 10 % (v/v) 1-butyl-3-methylimidazolium chloride ([BMIM]Cl), a commonly used ionic liquid. Additionally, strain CMW1 grew adequately in the presence of the hydrophilic ionic liquids 10 % (v/v) 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ([EMIM]CF3SO3) or 2.5 % (v/v) 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([BMIM]CF3SO3). Strain CMW1 produced an extracellular protease (BapIL) in the culture medium. BapIL was stable in the presence of 80 % (v/v) ionic liquids, [EMIM]CF3SO3, [BMIM]Cl, [BMIM]CF3SO3, 1-butyl-3-methylimidazolium tetrafluoroborate, 1-butyl-3-methylimidazolium hexafluorophosphate, and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, and functioned in 10 % (v/v) these ionic liquids. BapIL was stable at pH 4.0-12.6 or in 4004 mM NaCl solution, and exhibited activity in the presence of 50 % (v/v) hydrophilic or hydrophobic organic solvents. BapIL was completely inhibited by 1 mM PMSF and partially by 5 mM EDTA. BapIL belongs to the true subtilisins according to analysis of the deduced amino acid sequence. We showed that BapIL from the ionic liquid-tolerant B. amyloliquefaciens CMW1 exhibited tolerance to ionic liquid and halo, alkaline, and organic solvents.

  15. Importance of dispersion forces for prediction of thermodynamic and transport properties of some common ionic liquids.

    PubMed

    Izgorodina, Ekaterina I; Golze, Dorothea; Maganti, Radha; Armel, Vanessa; Taige, Maria; Schubert, Thomas J S; MacFarlane, Douglas R

    2014-04-28

    An extensive study of interaction energies in ion pairs of pyrrolidinium and imidazolium ionic liquids is presented. The Cnmpyr and Cnmim cations with varying alkyl chains from Methyl, Ethyl, n-Propyl to n-Butyl were combined with a wide range of routinely used IL anions such as chloride, bromide, mesylate (CH3SO3 or Mes), tosylate (CH3PhSO3 or Tos), bis(trifluoromethanesulfonyl)amide (NTf2), dicyanamide (N(CN)2 or dca), tetrafluoroborate (BF4) and hexafluorophosphate (PF6). A number of energetically favourable conformations were studied for each cation-anion combination. The interaction energy and its dispersion component of the single ion pairs were calculated using a sophisticated state-of-the-art approach: a second-order of Symmetry Adapted Perturbation Theory (SAPT). A comparison of energetics depending on the cation-anion type, as well as the mode of interaction was performed. Dispersion forces were confirmed to be of importance for the overall stabilisation of ionic liquids contributing from 28 kJ mol(-1) in pyrrolidinium ion pairs to 59 kJ mol(-1) in imidazolium ion pairs. The previously proposed ratio of total interaction energy to dispersion components and melting points was assessed for this set of ionic liquids and was found to correlate with their melting points for the anionic series, producing separate trends for the Cnmim and Cmpyr series of cations. Chlorides, bromides and tetrafluoroborates formed close-to-ideal correlations when both types of cations, Cnmim and Cnmpyr, were combined in the same trend. Correlation of the dispersion component of the interaction energy with transport properties such as conductivity and viscosity was also considered. For imidazolium-based ionic liquids strong linear correlations were obtained, whereas pyrrolidinium ionic liquids appeared to be insensitive to this correlation.

  16. Mobility and association of ions in aqueous solutions: the case of imidazolium based ionic liquids.

    PubMed

    Bešter-Rogač, Marija; Fedotova, Marina V; Kruchinin, Sergey E; Klähn, Marco

    2016-10-19

    The mobility and the mechanism of ion pairing of 1,1 electrolytes in aqueous solutions were investigated systematically on nine imidazolium based ionic liquids (ILs) from 1-methylimidazolium chloride, [MIM][Cl], to 1-dodecyl-3-methylimidazolium chloride, [1,3-DoMIM][Cl], with two isomers 1,2-dimethylimidazolium chloride, [1,2-MMIM][Cl], and 1,3-dimethylimidazolium chloride, [1,3-MMIM][Cl]. Molecular dynamics (MD) simulations, statistical mechanics calculations in the framework of the integral equation theory using one-dimensional (1D-) and three-dimensional (3D-) reference interaction site model (RISM) approaches as well as conductivity measurements were applied. From experiment and MD simulations it was found that the mobility/diffusion coefficients of cations in the limit of infinite dilution decrease with an increasing length of the cation alkyl chain, but not linearly. The aggregation tendency of cations with long alkyl chains at higher IL concentrations impedes their diffusivity. Binding free energies of imidazolium cations with the chloride anion estimated by RISM calculations, MD simulations and experiments reveal that the association of investigated ILs as model 1,1 electrolytes in water solutions is weak but evidently dependent on the molecular structure (alkyl chain length), which also strongly affects the mobility of cations.

  17. Observation of ionic Coulomb blockade in nanopores

    NASA Astrophysics Data System (ADS)

    Feng, Jiandong; Liu, Ke; Graf, Michael; Dumcenco, Dumitru; Kis, Andras; di Ventra, Massimiliano; Radenovic, Aleksandra

    2016-08-01

    Emergent behaviour from electron-transport properties is routinely observed in systems with dimensions approaching the nanoscale. However, analogous mesoscopic behaviour resulting from ionic transport has so far not been observed, most probably because of bottlenecks in the controlled fabrication of subnanometre nanopores for use in nanofluidics. Here, we report measurements of ionic transport through a single subnanometre pore junction, and the observation of ionic Coulomb blockade: the ionic counterpart of the electronic Coulomb blockade observed for quantum dots. Our findings demonstrate that nanoscopic, atomically thin pores allow for the exploration of phenomena in ionic transport, and suggest that nanopores may also further our understanding of transport through biological ion channels.

  18. Ionic resistance measurements of battery separators

    SciTech Connect

    Danko, T.; Sybeldon, A.

    1997-12-01

    The performance of a battery is affected by the ionic resistance of the separator used to separate the anode from the cathode. If the ionic resistance is too high, the power output from the battery is diminished because the flow of ions is hindered. This paper examines issues that affect the ionic resistance of regenerated cellulose membranes. In particular, changes in the pore size, or molecular weight cut off, of the membranes are correlated with ionic resistance to show that changes in molecular weight cut off do effect ionic resistance.

  19. Application of Ionic Liquids in Hydrometallurgy

    PubMed Central

    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

  20. Influence of trehalose on the interaction of curcumin with surface active ionic liquid micelle and its vesicular aggregate composed of a non-ionic surfactant sorbitan stearate

    NASA Astrophysics Data System (ADS)

    Roy, Arpita; Dutta, Rupam; Sarkar, Nilmoni

    2016-11-01

    The present investigation unravels the effect of trehalose on 1-hexadecyl-3-methylimidazolium chloride ([C16mim]Cl), a cationic surface active ionic liquid (SAIL) micelle and SAIL ([C16mim]Cl)-nonionic surfactant (Sorbitan Stearate, Span 60) based vesicles. The influence of trehalose on size and morphology of the aggregates has been investigated using dynamic light scattering (DLS) and transmission electron microscopic (TEM) measurements. Besides, we have studied the dynamic properties of curcumin inside these aggregates using fluorescence spectroscopic based techniques. The results revealed that trehalose molecules play crucial role in modulation of the photophysical properties of curcumin in these organized assemblies.

  1. Effects of phosphonium-based ionic liquids on phospholipid membranes studied by small-angle X-ray scattering.

    PubMed

    Kontro, Inkeri; Svedström, Kirsi; Duša, Filip; Ahvenainen, Patrik; Ruokonen, Suvi-Katriina; Witos, Joanna; Wiedmer, Susanne K

    2016-12-01

    The effects of ionic liquids on model phospholipid membranes were studied by small-angle X-ray scattering, dynamic light scattering (DLS) and zeta potential measurements. Multilamellar 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine liposomes and large unilamellar vesicles composed of l-α-phosphatidylcholine (eggPC) and l-α-phosphatidylglycerol (eggPG) (80:20mol%) or eggPC, eggPG, and cholesterol (60:20:20mol%) were used as biomimicking membrane models. The effects of the phosphonium-based ionic liquids: tributylmethylphosphonium acetate, trioctylmethylphosphonium acetate, tributyl(tetradecyl)-phosphonium acetate, and tributyl(tetradecyl)-phosphonium chloride, were compared to those of 1-ethyl-3-methyl-imidazolium acetate. With multilamellar vesicles, the ionic liquids that did not disrupt liposomes decreased the lamellar spacing as a function of concentration. The magnitude of the effect depended on concentration for all studied ionic liquids. Using large unilamellar vesicles, first a slight decrease in the vesicle size, then aggregation of vesicles was observed by DLS for increasing ionic liquid concentrations. At concentrations just below those that caused aggregation of liposomes, large unilamellar vesicles were coated by ionic liquid cations, evidenced by a change in their zeta potential. The ability of phosphonium-based ionic liquids to affect liposomes is related to the length of the hydrocarbon chains in the cation. Generally, the ability of ionic liquids to disrupt liposomes goes hand in hand with inducing disorder in the phospholipid membrane. However, trioctylmethylphosphonium acetate selectively extracted and induced a well-ordered lamellar structure in phospholipids from disrupted cholesterol-containing large unilamellar vesicles. This kind of effect was not seen with any other combination of ionic liquids and liposomes.

  2. Nanoparticles in ionic liquids: interactions and organization.

    PubMed

    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.

  3. Augmentation of hemagglutination by low ionic conditions.

    PubMed

    Rosenfield, R E; Shaikh, S H; Innella, F; Kaczera, Z; Kochwa, S

    1979-01-01

    Short incubation at 37 C, 80 per cent reduction in ionic concentration and removal of liquid phases after each reaction step, provided the basis for the construction of four new serologic tests for alloantibodies to human erythrocytes. In the first, the incubation fluid was replaced with protamine sulfate to aggregate intensely the evaluated red blood cells. After dispersal by phosphate buffer, residual antibody mediated agglutination could be discerned. As a second method, this low ionic polycation (LIP) test was followed by a normal ionic IgG antiglobulin test (LIP-AGT). A third method employed low ionic washing of erythrocytes and low ionic antiglobulin serum (LIAGT). Finally, a modified LIP test was conducted entirely under low ionic conditions and followed by a low ionic antiglobulin test (modified LIP-AGT). LIP, LIP-AGT and LIAGT were successfully employed for all routine blood bank serology tests. Their sensitivity and impact on blood bank performance are described.

  4. Liquid-liquid extraction of europium(III) and other trivalent rare-earth ions using a non-fluorinated functionalized ionic liquid.

    PubMed

    Rout, Alok; Binnemans, Koen

    2014-01-28

    A new non-fluorinated malonamide-based ionic liquid extractant was synthesized and investigated for the extraction behavior of europium(III) and other trivalent rare-earth ions from nitric acid medium. The extractant was the functionalized ionic liquid trihexyl(tetradecyl)phosphonium N,N,N',N'-tetra(2-ethylhexyl)malonate, [P66614][MA], and it was used in combination with the non-fluorinated ionic liquid trihexyl(tetradecyl)phosphonium nitrate, [P66614][NO3], as diluents. The extraction behavior of europium in this ionic liquid solution was studied as a function of various parameters such as the pH, concentration of the extractant, the type of acidic medium, temperature, concentration of the salting-out agent and the metal concentration of the aqueous feed. The extraction behavior of [P66614][MA] in [P66614][NO3] was compared with that of [P66614][MA] in the chloride-containing ionic liquid diluent trihexyl(tetradecyl)phosphonium chloride, [P66614][Cl] (Cyphos IL 101). The nitrate system was found to be superior. Marked differences in extraction behavior were observed between [P66614][MA] and the molecular malonamide extractant N,N,N',N'-tetra(2-ethylhexyl)malonamide (TEHMA), i.e. the compound from which the anion of the ionic liquid extractant was prepared. The extraction behavior of other rare earths (La, Ce, Nd, Sm, Ho, Yb) and some transition metals (Ni, Co, Zn) was investigated using this functionalized ionic liquid. A good separation of the rare earths from the transition metals could be achieved. For the rare earths, the extraction efficiency increases over the lanthanide series. The effects of thermodynamic parameters, the stripping of europium(iii) from the ionic liquid and the reusability of the functionalized ionic liquid were studied in detail.

  5. Ionic liquid biodegradability depends on specific wastewater microbial consortia.

    PubMed

    Docherty, Kathryn M; Aiello, Steven W; Buehler, Barbara K; Jones, Stuart E; Szymczyna, Blair R; Walker, Katherine A

    2015-10-01

    Complete biodegradation of a newly-synthesized chemical in a wastewater treatment plant (WWTP) eliminates the potential for novel environmental pollutants. However, differences within- and between-WWTP microbial communities may alter expectations for biodegradation. WWTP communities can also serve as a source of unique consortia that, when enriched, can metabolize chemicals that tend to resist degradation, but are otherwise promising green alternatives. We tested the biodegradability of three ionic liquids (ILs): 1-octyl-3-methylpyridinium bromide (OMP), 1-butyl-3-methylpyridinium bromide (BMP) and 1-butyl-3-methylimidazolium chloride (BMIM). We performed tests using communities from two WWTPs at three time points. Site-specific and temporal variation both influenced community composition, which impacted the success of OMP biodegradability. Neither BMP nor BMIM degraded in any test, suggesting that these ILs are unlikely to be removed by traditional treatment. Following standard biodegradation assays, we enriched for three consortia that were capable of quickly degrading OMP, BMP and BMIM. Our results indicate WWTPs are not functionally redundant with regard to biodegradation of specific ionic liquids. However, consortia can be enriched to degrade chemicals that fail biodegradability assays. This information can be used to prepare pre-treatment procedures and prevent environmental release of novel pollutants.

  6. Self-aggregation of cationic dimeric surfactants in water-ionic liquid binary mixtures.

    PubMed

    Martín, Victoria Isabel; Rodríguez, Amalia; Laschewsky, André; Moyá, María Luisa

    2014-09-15

    The micellization of four dimeric cationic surfactants ("gemini surfactants") derived from N-dodecyl-N,N,N-trimethylammonium chloride was studied in pure water and in water-ionic liquid (IL) solutions by a wide range of techniques. The dimeric surfactants are distinguished by their rigid spacer groups separating the two surfactant motifs, which range from C3 to C5 in length. In order to minimize organic ion pairing effects as well as the role of the ionic liquids as potential co-surfactants, ILs with inorganic hydrophilic anions and organic cations of limited hydrophobicity were chosen, namely ethyl, butyl, and hexyl-3-imidazolium chlorides. (1)H NMR two-dimensional, 2D, rotating frame nuclear Overhauser effect spectroscopy measurements, ROESY, supported this premise. The spacer nature hardly affects the micellization process, neither in water nor in water-IL solutions. However, it does influence the tendency of the dimeric surfactants to form elongated micelles when surfactant concentration increases. In order to have a better understanding of the ternary water-IL surfactant systems, the micellization of the surfactants was also studied in aqueous NaCl solutions, in water-ethylene glycol and in water-formamide binary mixtures. The combined results show that the ionic liquids play a double role in the mixed systems, operating simultaneously as background electrolytes and as polar organic solvents. The IL role as organic co-solvent becomes more dominant when its concentration increases, and when the IL alkyl chain length augments.

  7. Dissolution kinetics and mechanisms at dolomite-water interfaces: effects of electrolyte specific ionic strength.

    PubMed

    Xu, Man; Sullivan, Katie; Vanness, Garrett; Knauss, Kevin G; Higgins, Steven R

    2013-01-02

    Elucidating dissolution kinetics and mechanisms at carbonate mineral-water interfaces is essential to many environmental and geochemical processes, including geologic CO(2) sequestration in deep aquifers. In the present work, effects of background electrolytes on dolomite (CaMg(CO(3))(2)) reactivity were investigated by measuring step dissolution rates using in situ hydrothermal atomic force microscopy (HAFM) at 90 °C. Cleaved surfaces of dolomite were exposed to sodium chloride and tetramethylammonium chloride (TMACl) aqueous solutions with ionic strengths (I) ranging from 0 to 0.77 m at pH 4 and pH 9. HAFM results demonstrated that dolomite step retreat rates increased with increasing solution ionic strength and decreasing pH. Comparison of [481] and [441] steps revealed that the anisotropy of [481] and [441] step speeds became significant as solution ionic strength increased, with NaCl exerting more pronounced effects than TMACl for the same I. To interpret the different trends observed for NaCl and TMACl, a dissolution mechanism involving orientation-dependent ion adsorption and consequent edge free energy changes is proposed.

  8. Speciation of phytate ion in aqueous solution. Alkali metal complex formation in different ionic media.

    PubMed

    De Stefano, Concetta; Milea, Demetrio; Pettignano, Alberto; Sammartano, Silvio

    2003-08-01

    The acid-base properties of phytic acid [ myo-inositol 1,2,3,4,5,6-hexakis(dihydrogen phosphate)] (H(12)Phy; Phy(12-)=phytate anion) were studied in aqueous solution by potentiometric measurements ([H+]-glass electrode) in lithium and potassium chloride aqueous media at different ionic strengths (0< I mol L(-1)< or =3) and at t=25 degrees C. The protonation of phytate proved strongly dependent on both ionic medium and ionic strength. The protonation constants obtained in alkali metal chlorides are considerably lower than the corresponding ones obtained in a previous paper in tetraethylammonium iodide (Et(4)NI; e.g., at I=0.5 mol L(-1), log K(3)(H)=11.7, 8.0, 9.1, and 9.1 in Et(4)NI, LiCl, NaCl and KCl, respectively; the protonation constants in Et(4)NI and NaCl were already reported), owing to the strong interactions occurring between the phytate and alkaline cations present in the background salt. We explained this in terms of complex formation between phytate and alkali metal ions. Experimental evidence allows us to consider the formation of 13 mixed proton-metal-ligand complexes, M(j)H(i)Phy((12-i-j)-), (M+ =Li+, Na+, K+), with j< or =7 and i< or =6, in the range 2.5< or =pH< or =10 (some measurements, at low ionic strength, were extended to pH=11). In particular, all the species formed are negatively charged: i+j-12=-5, -6. Very high formation percentages of M+-phytate species are observed in all the pH ranges investigated. The stability of alkali metal complexes follows the trend Li+ > or =Na+K+. Some measurements were also performed at constant ionic strength (I=0.5 mol L(-1)), using different mixtures of Et(4)NI and alkali metal chlorides, in order to confirm the formation of hypothesized and calculated metal-proton-ligand complex species and to obtain conditional protonation constants in these multi-component ionic media.

  9. Studies of plastic crystal gel polymer electrolytes based on poly(vinylidene chloride-co-acrylonitrile)

    NASA Astrophysics Data System (ADS)

    Hambali, D.; Zainuddin, Z.; Supa'at, I.; Osman, Z.

    2016-02-01

    In this work, we have prepared systems of poly(vinylidene chloride-co-acrylonitrile) (PVdC-co-AN) based gel polymer electrolytes (GPEs) which are single plasticized-GPEs and double plasticized-GPEs. Both systems comprised plastic crystal succinonitrile SN to form plastic crystal gel polymer electrolyte (PGPE) films. The ionic conductivity of the PGPE films were analysed by means of a.c. impedance spectroscopy at room temperature as well as at the temperature range of 303 K to 353 K. The temperature dependence ionic conductivity was found to obey the VTF rule. To study the interactions among the constituents in the PGPEs, Fourier Transform Infrared Spectroscopy (FTIR) was carried out and hence, the complexation between them has also been confirmed.

  10. Geometric isotope effects on small chloride ion water clusters with path integral molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Wang, Qi; Suzuki, Kimichi; Nagashima, Umpei; Tachikawa, Masanori; Yan, Shiwei

    2013-11-01

    The geometric isotope effects on the structures of hydrated chloride ionic hydrogen bonded clusters are explored by carrying out path integral molecular dynamics simulations. First, an outer shell coordinate is selected to display the rearrangement of single and multi hydration shell cluster structures. Next, to show the competition of intramolecular and intermolecular nuclear quantum effects, the intramolecular OH∗ stretching and intermolecular ion-water wagging motions are studied for single and multi shell structures, respectively. The results indicate that the intermolecular nuclear quantum effects stabilize the ionic hydrogen bonds in single shell structures, while they are destabilized through the competition with intramolecular nuclear quantum effects in multi shell structures. In addition, the correlations between ion-water stretching motion and other cluster vibrational coordinates are discussed. The results indicate that the intermolecular nuclear quantum effects on the cluster structures are strongly related to the cooperation of the water-water hydrogen bond interactions.

  11. Structural correspondence between uranyl chloride complexes in solution and their stability constants.

    PubMed

    Soderholm, L; Skanthakumar, S; Wilson, Richard E

    2011-05-19

    Pair-distribution functions (PDF)s were obtained from high-energy X-ray scattering (HEXS) data on a series of uranyl solutions as a function of chloride ion concentration. Analyses reveal that chloride forms only inner-sphere complexes with the uranyl, replacing inner-sphere waters such that the total uranyl coordination number decreases from 4.7 waters at [Cl(-)] = 0 m to 4.4 (1.7 water and 2.7 Cl(-)) at [Cl(-)] = 6.8 m. Some of the second-coordination sphere waters reorient upon uranyl inner-sphere chloride complexation in order to hydrogen bond with the bound anion. Similar data obtained on a series of solutions maintained at constant ionic strength are used to confirm structural assignments through determining stability constants for the addition of chloride to uranyl and comparison with published values. The stability constants, β(1) = 1.5(10) m(-1), β(2) = 0.8(4) m(-2), and β(3) = 0.4(1) m(-3), obtained in a series of solutions with constant ionic strength of 5.3 m, are in reasonable agreement with previously published results determined by solvent extraction. The agreement of stability constants supports our peak assignments for the PDF and thus our structural model for uranyl chloride complexes in solution. Using coordination numbers and speciation determined here as a function of chloride ion concentration, the monochloro species is found to have four coordinating waters in the uranyl equatorial plane, the dichoro species is found to be an equilibrium of three and two coordinating waters, and the trichloro species has only a single water in the equatorial plane. These values correspond to total average coordination numbers of 5, 4.3, and 4 for the mono-, di-, and trichlorouranyl complexes. From the equilibrium value of the dichloro species, it can be further estimated that ΔG = -0.5 kcal/mol for the conversion of five to four coordinate species. Overall, the HEXS data support the assertion that uranyl chloride correlations do exist and the results are

  12. Oxomemazine hydro­chloride

    PubMed Central

    Siddegowda, M. S.; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Ramesh, A. R.

    2011-01-01

    In the title compound [systematic name: 3-(5,5-dioxo­phen­othia­zin-10-yl)-N,N,2-trimethyl­propanaminium chloride], C18H23N2O2S+·Cl−, the dihedral angle between the two outer aromatic rings of the phenothia­zine unit is 30.5 (2)°. In the crystal, the components are linked by N—H⋯Cl and C—H⋯Cl hydrogen bonds and C—H⋯π inter­actions. PMID:22090928

  13. Review of Data Generated with Instruments Used to Detect and Measure Ionic Contaminants on Printed-Wiring Assemblies

    DTIC Science & Technology

    1978-08-29

    eighteen printed wiring assemblies were transferred to a cleaning system containing a wash solution composed of 75 volume-% isopropyl alcohol and 25...ammonium chloride (Eastman Chemical Co., Catalog #9536); and the remainder ACS Reagent Grade Isopropyl Alcohol . The flux had a specific gravity of 0.807 at...manufacture, cleaning, and controlled ionic contamination of the printed wiring assemb~lies; the calibration of each test instrument; and the test data

  14. Electrochemical properties of an aluminum anode in an ionic liquid electrolyte for rechargeable aluminum-ion batteries.

    PubMed

    Choi, Sangwon; Go, Hyungho; Lee, Gibaek; Tak, Yongsug

    2017-02-01

    An aluminum metal, both native and with a very thin oxide film, was investigated as an anode for aluminum-ion batteries. Investigations were carried out in an acidic ionic liquid electrolyte, composed of AlCl3 in 1-ethyl-3-methylimidazolium chloride ([EMIm]Cl), with β-MnO2/C as a cathode. The battery based on Al metal with a very thin oxide film showed high capacity and stable surface corrosion.

  15. [Sodium chloride 0.9%: nephrotoxic crystalloid?].

    PubMed

    Dombre, Vincent; De Seigneux, Sophie; Schiffer, Eduardo

    2016-02-03

    Sodium chloride 0.9%, often incorrectly called physiological saline, contains higher concentration of chloride compared to plasma. It is known that the administration of sodium chloride 0.9% can cause hyperchloremic metabolic acidosis in a reproducible manner. The elevated chloride concentration in 0.9% NaCl solution can also adversely affect renal perfusion. This effect is thought to be induced by hyperchloremia that causes renal artery vasoconstriction. For these reasons, the use of 0.9% NaCl solution is raising attention and some would advocate the use of a more "physiological" solution, such as balanced solutions that contain a level of chloride closer to that of plasma. Few prospective, randomized, controlled trials are available today and most were done in a perioperative setting. Some studies suggest that the chloride excess in 0.9% NaCl solution could have clinical consequences; however, this remains to be established by quality randomized controlled trials.

  16. Production of anhydrous aluminum chloride composition

    DOEpatents

    Vandergrift, G.F. III; Krumpelt, M.; Horwitz, E.P.

    1981-10-08

    A process is described for producing an anhydrous aluminum chloride composition from a water-based aluminous material such as a slurry of aluminum hydroxide in a multistage extraction process in which the aluminum ion is first extracted into an organic liquid containing an acidic extractant and then extracted from the organic phase into an alkali metal chloride or chlorides to form a melt containing a mixture of chlorides of alkali metal and aluminum. In the process, the organic liquid may be recycled. In addition, the process advantageously includes an electrolysis cell for producing metallic aluminum and the alkali metal chloride or chlorides may be recycled for extraction of the aluminum from the organic phase.

  17. Spectrophotometric Investigation of U(VI) Chloride Complexation in the NaCl/NaClO{sub 4} System

    SciTech Connect

    Paviet-Hartmann, P.; Lin, M.R.; Runde, W.H.

    1998-11-30

    Post closure radioactive release scenarios from geologic salt formation, such as the WIPP (Waste Isolation Pilot Plant)(USA) include hydrologic transport of radionuclides through a chloride saturated aquifer. Consequently, the understanding of actinide solution chemistry in brines is essential for modeling requiring accurate knowledge of the interaction between AnO{sub 2}{sup 2+} and chloride ions. Complexation constants of two U(VI) chloride species, UO{sub 2}Cl{sup +} and UO{sub 2}Cl{sub 2}{sup 0}, have been intensively studied for about 40 years using different methods. However, large uncertainties reflect the general difficulty in determining accurate stability constants of weak complexes. In order to model the behavior of U(VI) in brines, we studied the formation of its chloride complexes by UV-Vis spectroscopy as a function of the NaCl concentration at 25 C. The experiments were performed at constant ionic strength by varying the concentration ratio of NaCl and NaClO{sub 4}. Deconvolution resulted in single component absorption spectra for UO{sub 2}Cl{sup +} and UO{sub 2}Cl{sub 2}{sup 0}. The apparent stability constants of UO{sub 2}Cl{sup +} and UO{sub 2}Cl{sub 2}{sup 0} are at different ionic strengths and the experimental data are used to parameterize using the SIT approach.

  18. Influence of ionic liquid and ionic salt on protein against the reactive species generated using dielectric barrier discharge plasma

    NASA Astrophysics Data System (ADS)

    Attri, Pankaj; Sarinont, Thapanut; Kim, Minsup; Amano, Takaaki; Koga, Kazunori; Cho, Art E.; Ha Choi, Eun; Shiratani, Masaharu

    2015-12-01

    The presence of salts in biological solution can affect the activity of the reactive species (RS) generated by plasma, and so they can also have an influence on the plasma-induced sterilization. In this work, we assess the influence that diethylammonium dihydrogen phosphate (DEAP), an ionic liquid (IL), and sodium chloride (NaCl), an ionic salt (IS), have on the structural changes in hemoglobin (Hb) in the presence of RS generated using dielectric barrier discharge (DBD) plasma in the presence of various gases [O2, N2, Ar, He, NO (10%) + N2 and Air]. We carry out fluorescence spectroscopy to verify the generation of •OH with or without the presence of DEAP IL and IS, and we use electron spin resonance (ESR) to check the generation of H• and •OH. In addition, we verified the structural changes in the Hb structure after treatment with DBD in presence and absence of IL and IS. We then assessed the structural stability of the Hb in the presence of IL and IS by using molecular dynamic (MD) simulations. Our results indicate that the IL has a strong effect on the conservation of the Hb structure relative to that of IS against RS generated by plasma.

  19. Influence of ionic liquid and ionic salt on protein against the reactive species generated using dielectric barrier discharge plasma

    PubMed Central

    Attri, Pankaj; Sarinont, Thapanut; Kim, Minsup; Amano, Takaaki; Koga, Kazunori; Cho, Art E.; Ha Choi, Eun; Shiratani, Masaharu

    2015-01-01

    The presence of salts in biological solution can affect the activity of the reactive species (RS) generated by plasma, and so they can also have an influence on the plasma-induced sterilization. In this work, we assess the influence that diethylammonium dihydrogen phosphate (DEAP), an ionic liquid (IL), and sodium chloride (NaCl), an ionic salt (IS), have on the structural changes in hemoglobin (Hb) in the presence of RS generated using dielectric barrier discharge (DBD) plasma in the presence of various gases [O2, N2, Ar, He, NO (10%) + N2 and Air]. We carry out fluorescence spectroscopy to verify the generation of •OH with or without the presence of DEAP IL and IS, and we use electron spin resonance (ESR) to check the generation of H• and •OH. In addition, we verified the structural changes in the Hb structure after treatment with DBD in presence and absence of IL and IS. We then assessed the structural stability of the Hb in the presence of IL and IS by using molecular dynamic (MD) simulations. Our results indicate that the IL has a strong effect on the conservation of the Hb structure relative to that of IS against RS generated by plasma. PMID:26656857

  20. Homogeneous Liquid–Liquid Extraction of Rare Earths with the Betaine—Betainium Bis(trifluoromethylsulfonyl)imide Ionic Liquid System

    PubMed Central

    Hoogerstraete, Tom Vander; Onghena, Bieke; Binnemans, Koen

    2013-01-01

    Several fundamental extraction parameters such as the kinetics and loading were studied for a new type of metal solvent extraction system with ionic liquids. The binary mixture of the ionic liquid betainium bis(trifluoromethylsulfonyl)imide and water shows thermomorphic behavior with an upper critical solution temperature (UCST), which can be used to avoid the slower mass transfer due to the generally higher viscosity of ionic liquids. A less viscous homogeneous phase and mixing on a molecular scale are obtained when the mixture is heated up above 55 °C. The influence of the temperature, the heating and cooling times, were studied for the extraction of neodymium(III) with betaine. A plausible and equal extraction mechanism is proposed in bis(trifluoromethylsulfonyl)imide, nitrate, and chloride media. After stripping of the metals from the ionic liquid phase, a higher recovery of the ionic liquid was obtained by salting-out of the ionic liquid fraction lost by dissolution in the aqueous phase. The change of the upper critical solution temperature by the addition of HCl or betaine was investigated. In addition, the viscosity was measured below and above the UCST as a function of the temperature. PMID:24169434

  1. Metal chloride cathode for a battery

    NASA Technical Reports Server (NTRS)

    Bugga, Ratnakumar V. (Inventor); Distefano, Salvador (Inventor); Bankston, C. Perry (Inventor)

    1991-01-01

    A method of fabricating a rechargeable battery is disclosed which includes a positive electrode which contains a chloride of a selected metal when the electrode is in its active state. The improvement comprises fabricating the positive electrode by: providing a porous matrix composed of a metal; providing a solution of the chloride of the selected metal; and impregnating the matrix with the chloride from the solution.

  2. High Efficiency Lithium-Thionyl Chloride Cell.

    DTIC Science & Technology

    1982-04-01

    AD-Al14 672 HONEYWELL POWER SOURCES CENTER HORSHAM PA F/S 10/3 HIGH EFFICIENCY LITHIUM - THIONYL CHLORIDE CELLo(U) APR 82 N DODDAPANEN! OAAK20-81-C...CHART NATIONAl BUREAU OF STANDARDS 1963 A Research and Development Technical Report DELET-TR-81-0381-3 HIGH EFFICIENCY LITHIUM - THIONYL CHLORIDE CELL...reverse aide it necessary and Identify by block number) Thionyl chloride , lithium , high discharge rates, low temperatures, catalysis, cyclic

  3. 21 CFR 184.1426 - Magnesium chloride.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Magnesium chloride. 184.1426 Section 184.1426 Food... GRAS § 184.1426 Magnesium chloride. (a) Magnesium chloride (MgC12·6H2O, CAS Reg. No. 7786-30-3) is a... prepared by dissolving magnesium oxide, hydroxide, or carbonate in aqueous hydrochloric acid solution...

  4. Determination of Chloride in Hydraulic Fluids.

    DTIC Science & Technology

    1986-10-01

    chloride stock solution (1000 mg/L) was prepared by dissolv- ing sodium chloride in deionized distilled water. A 5M sodium nitrate solu- tion was used as...electrode as the reference electrode. Calibration curves were prepared by measuring the potentials (millivolts) of standard chloride solution (1, 10, 100...Therefore, it is recommended that only 10% (v/v) hydraulic fluid ( ehtylene glycol) solutions be used for analysis. The electrode must not stay in the

  5. A comparison of sodium, chloride, thiocyanate, and sucrose spaces as estimates of extracellular fluid volume.

    PubMed

    Caster, W O; Simon, A B

    1980-01-01

    Sodium, chloride, thiocyanate, and sucrose spaces were measured in whole body and different tissues of rat. For each analytical method, when all tissue spaces were added the sum was in good agreement with corresponding total body fluid space obtained by dilution methods. There was surprisingly good agreement among the three ionic space measures in the total body, when one considers that there were discrepancies as large as 2- to 8-fold within certain of the different tissues. Some differences could be explained by the facts that sodium is a constituent of bond mineral and that there are marked differences between these four measures when observed in the water of the gastrointestinal contents.

  6. Quantized ionic conductance in nanopores

    SciTech Connect

    Zwolak, Michael; Lagerqvist, Johan; Di Ventra, Massimilliano

    2009-01-01

    Ionic transport in nanopores is a fundamentally and technologically important problem in view of its ubiquitous occurrence in biological processes and its impact on DNA sequencing applications. Using microscopic calculations, we show that ion transport may exhibit strong non-liDearities as a function of the pore radius reminiscent of the conductance quantization steps as a function of the transverse cross section of quantum point contacts. In the present case, however, conductance steps originate from the break up of the hydration layers that form around ions in aqueous solution. Once in the pore, the water molecules form wavelike structures due to multiple scattering at the surface of the pore walls and interference with the radial waves around the ion. We discuss these effects as well as the conditions under which the step-like features in the ionic conductance should be experimentally observable.

  7. Studies on Chloride Channels and their Modulators.

    PubMed

    Patil, Vaishali M; Gupta, Satya P

    2016-01-01

    The prime roles of mutations in the genes, encoding chloride ion channels, in various human diseases of muscle, kidney, bone and brain, such as congenital myotonia, myotonic dystrophy, cystic fibrosis, osteopetrosis, epilepsy, glioma, etc., have been well established. Chloride ion channels are also responsible for glioma progression in brain and malaria parasite in red blood cells. The present article thus emphasises on the various diseases associated with chloride channel regulation and their modulators. Studies on various chloride channels and their modulators have been discussed in detail.

  8. Production of chlorine from chloride salts

    DOEpatents

    Rohrmann, Charles A.

    1981-01-01

    A process for converting chloride salts and sulfuric acid to sulfate salts and elemental chlorine is disclosed. A chloride salt and sulfuric acid are combined in a furnace where they react to produce a sulfate salt and hydrogen chloride. Hydrogen chloride from the furnace contacts a molten salt mixture containing an oxygen compound of vanadium, an alkali metal sulfate and an alkali metal pyrosulfate to recover elemental chlorine. In the absence of an oxygen-bearing gas during the contacting, the vanadium is reduced, but is regenerated to its active higher valence state by separately contacting the molten salt mixture with an oxygen-bearing gas.

  9. Fabrication Of Metal Chloride Cathodes By Sintering

    NASA Technical Reports Server (NTRS)

    Bugga, Ratnakumar V.; Di Stefano, Salvador; Bankston, C. Perry

    1992-01-01

    Transition-metal chloride cathodes for use in high-temperature rechargeable sodium batteries prepared by sintering transition-metal powders mixed with sodium chloride. Need for difficult and dangerous chlorination process eliminated. Proportions of transition metal and sodium chloride in mixture adjusted to suit specific requirements. Cathodes integral to sodium/metal-chloride batteries, which have advantages over sodium/sulfur batteries including energy densities, increased safety, reduced material and thermal-management problems, and ease of operation and assembly. Being evaluated for supplying electrical power during peak demand and electric vehicles.

  10. Ionic contamination detection. Final report

    SciTech Connect

    Benkovich, M.G.

    1994-04-01

    The effectiveness of Meter A and B for detecting ionic contamination was evaluated and compared on the following types of samples: (1) copper panels, (2) printed wiring boards with through-hold components (lCs), (3) printed wiring boards with surface-mounted components, and (4) mixed-technology printed wiring boards (both through-hole and surface-mount components). The extraction efficiency of the two meters was calculated

  11. Ionic Liquids for Advanced Materials

    DTIC Science & Technology

    2008-12-01

    developed characterization set-ups for the electromechanical responses of conductive network/ ionomer composite (CNIC). The overall research goal... glass transition temperature (Tg) with an increase in dielectric constant and ion content. ILs uniquely combine high dielectric constant, low...from 230-440%. Dissociation of ionic aggregates was observed at 85-88 °C in DMA experiments, and the glass transition temperatures increased with

  12. Phase Behavior of Ionic Microgels

    NASA Astrophysics Data System (ADS)

    Gottwald, D.; Likos, C. N.; Kahl, G.; Löwen, H.

    2004-02-01

    We employ effective interaction potentials between spherical polyelectrolyte microgels in order to investigate theoretically the structure, thermodynamics, and phase behavior of ionic microgel solutions. Combining a genetic algorithm with accurate free energy calculations we are able to perform an unrestricted search of candidate crystal structures. Hexagonal, body-centered orthogonal, and trigonal crystals are found to be stable at high concentrations and charges of the microgels, accompanied by reentrant melting behavior and fluid-fcc-bcc transitions below the overlap concentration.

  13. Phase behavior of ionic microgels.

    PubMed

    Gottwald, D; Likos, C N; Kahl, G; Löwen, H

    2004-02-13

    We employ effective interaction potentials between spherical polyelectrolyte microgels in order to investigate theoretically the structure, thermodynamics, and phase behavior of ionic microgel solutions. Combining a genetic algorithm with accurate free energy calculations we are able to perform an unrestricted search of candidate crystal structures. Hexagonal, body-centered orthogonal, and trigonal crystals are found to be stable at high concentrations and charges of the microgels, accompanied by reentrant melting behavior and fluid-fcc-bcc transitions below the overlap concentration.

  14. Ionic Conduction in Nanocrystalline Materials

    DTIC Science & Technology

    2000-02-10

    photo- largely due to oxygen desorption from particle voltaic cells and as the photocatalyst in water surfaces. The latter interpretation...and Tuller [22] prepared dense (-95%) temperature, where bulk reduction was observed. At compacts of TiO2 with the anatase phase. The lower... TiO2 , evidence preparation. is mixed. Nanocrystalline rutile appears to exhibit higher ionic conductivity than single crystal rutile while

  15. Enrofloxacin hydro-chloride dihydrate.

    PubMed

    Miranda-Calderón, Jorge E; Gutiérrez, Lilia; Flores-Alamo, Marcos; García-Gutiérrez, Ponciano; Sumano, Héctor

    2014-04-01

    The asymmetric unit of the title compound, C19H23FN3O3 (+)·Cl(-)·2H2O [systematic name: 4-(3-carb-oxy-1-cyclo-propyl-6-fluoro-4-oxo-1,4-di-hydro-quin-o-lin-7-yl)-1-ethyl-piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chloride anions and four water mol-ecules. In the cations, the piperazinium rings adopt chair conformations and the dihedral angles between the cyclo-propyl ring and the 10-membered quinoline ring system are 56.55 (2) and 51.11 (2)°. An intra-molecular O-H⋯O hydrogen bond is observed in each cation. In the crystal, the components are connected via O-H⋯Cl, N-H⋯Cl and O-H⋯O hydrogen bonds, and a π-π inter-action between the benzene rings [centroid-centroid distance = 3.6726 (13) Å], resulting in a three-dimensional array.

  16. Long range electrostatic forces in ionic liquids.

    PubMed

    Gebbie, Matthew A; Smith, Alexander M; Dobbs, Howard A; Lee, Alpha A; Warr, Gregory G; Banquy, Xavier; Valtiner, Markus; Rutland, Mark W; Israelachvili, Jacob N; Perkin, Susan; Atkin, Rob

    2017-01-19

    Ionic liquids are pure salts that are liquid under ambient conditions. As liquids composed solely of ions, the scientific consensus has been that ionic liquids have exceedingly high ionic strengths and thus very short Debye screening lengths. However, several recent experiments from laboratories around the world have reported data for the approach of two surfaces separated by ionic liquids which revealed remarkable long range forces that appear to be electrostatic in origin. Evidence has accumulated demonstrating long range surface forces for several different combinations of ionic liquids and electrically charged surfaces, as well as for concentrated mixtures of inorganic salts in solvent. The original interpretation of these forces, that ionic liquids could be envisioned as "dilute electrolytes," was controversial, and the origin of long range forces in ionic liquids remains the subject of discussion. Here we seek to collate and examine the evidence for long range surface forces in ionic liquids, identify key outstanding questions, and explore possible mechanisms underlying the origin of these long range forces. Long range surface forces in ionic liquids and other highly concentrated electrolytes hold diverse implications from designing ionic liquids for energy storage applications to rationalizing electrostatic correlations in biological self-assembly.

  17. Radiation Chemistry and Photochemistry of Ionic Liquids

    SciTech Connect

    Wishart, J.F.; Takahaski, K.

    2010-12-01

    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.

  18. Comparing polyaluminum chloride and ferric chloride for antimony removal.

    PubMed

    Kang, Meea; Kamei, Tasuku; Magara, Yasumoto

    2003-10-01

    Antimony has been one of the contaminants required to be regulated, however, only limited information has been collected to date regarding antimony removal by polyaluminium chloride (PACl) and ferric chloride (FC). Accordingly, the possible use of coagulation by PACl or FC for antimony removal was investigated. Jar tests were used to determine the effects of solution pH, coagulant dosage, and pre-chlorination on the removal of various antimony species. Although high-efficiency antimony removal by aluminum coagulation has been expected because antimony is similar to arsenic in that both antimony and arsenic are a kind of metalloid in group V of the periodic chart, this study indicated: (1) removal density (arsenic or antimony removed per mg coagulant) for antimony by PACl was about one forty-fifth as low as observed for As(V); (2) although the removal of both Sb(III) and Sb(V) by coagulation with FC was much higher than that of PACl, a high coagulant dose of 10.5mg of FeL(-1) at optimal pH of 5.0 was still not sufficient to meet the standard antimony level of 2 microg as SbL(-1) for drinking water when around 6 microg as SbL(-1) were initially present. Consequently, investigation of a more appropriate treatment process is necessary to develop economical Sb reduction; (3) although previous studies concluded that As(V) is more effectively removed than As(III), this study showed that the removal of Sb(III) by coagulation with FC was much more pronounced than that of Sb(V); (4) oxidation of Sb(III) with chlorine decreased the ability of FC to remove antimony. Accordingly, natural water containing Sb(III) under anoxic condition should be coagulated without pre-oxidation.

  19. Electrochemical Behavior of Copper in Thionyl Chloride Solutions.

    DTIC Science & Technology

    1980-12-01

    lithium - thionyl chloride batteries . Thionyl chloride is known *3 to react...electrolyte for lithium - thionyl chloride batteries . 8R. K. McAlpine and B. A. Soule, Prescott and Johnson’s Qualitative Chemical Analysis, D. Van...black carbon electrodes, cupric chloride appears to be a useful cathode additive for lithium - thionyl chloride batteries . Preliminary results2l

  20. Solvation dynamics of an ionic probe in choline chloride-based deep eutectic solvents.

    PubMed

    Cui, Y; Fulfer, K D; Ma, J; Weldeghiorghis, T K; Kuroda, D G

    2016-11-23

    Solvation of the thiocyanate ion in three different deep eutectic solvents (DES) was investigated by linear FTIR spectroscopy, and Two Dimensional IR spectroscopy. Linear infrared spectroscopy reveals that the thiocyanate ion forms a hydrogen bond through its sulphur atom, while its nitrile end remains free. Photon-echo vibrational spectroscopy shows that the thiocyanate has a frequency-frequency correlation function (FFCF) with two distinct dynamics occurring on the picosecond time scale in all of the studied solvents. The observed dynamics is assigned to in-place and diffusional motions of the components within the thiocyanate solvation shell. Molecular dynamics simulations and ab initio calculations confirm the experimental findings and their molecular interpretation. In addition, theoretical modeling of the thiocyanate nitrile stretch lineshape suggests that alcohol-based DES are more structurally disorganized than the amide-based analogue. However, the organization observed in the different DES is not sufficient to explain physical properties, such as density, indicating that the amount of defects (i.e., hole theory) is not sufficient to fully describe the properties of DES.

  1. Hydrogen bonding and π-π interactions in imidazolium-chloride ionic liquid clusters.

    PubMed

    Matthews, Richard P; Welton, Tom; Hunt, Patricia A

    2015-06-14

    A systematic electronic structure analysis of hydrogen bonding (H-bonding), anion-π(+) and π(+)-π(+) interactions present in [C1C1im]Cl ion-pairs (IPs) and selected [C1C1im]2Cl2 IP-dimers has been carried out. Interactions have been characterised using a combination of QTAIM, NCIPLOT, NBO and qualitative MO theory. IP-dimers form non-directional charge quadrupolar arrangements due to Coulombic interactions. These are found to associate either as clusters or as loosely associated IP-IP structures. Large conformational changes are found to occur for very little cost in energy, indicating that charge screening is essentially independent of the cation ring orientation. H-bond formation is accompanied by charge transfer and polarisation of the entire [C1C1im](+) ring. Charge transfer does not follow the same trend for the CHelpG, QTAIM and NBO methods. Weak "stacked" π(+)-π(+) interactions are stabilised in the presence of anions, which locate between and at the periphery of the rings, novel strongly bent H-bonds are also present. Primary (ring; C-H···Cl(-)) H-bonds and anion-π(+) (C(2)···Cl(-)) interactions are found to decay more rapidly with distance than secondary (aliphatic; C(M)-H···Cl(-)) H-bonds. This leads to an increase in the relative importance of secondary H-bond interactions in the IP-dimers. Moreover, rotation of the methyl groups within the "stacked" π(+)-π(+) IP-dimers facilitates the formation of (stronger) linear secondary H-bonds. Thus, compared to isolated IPs, secondary H-bonds may play an increased role within the condensed phase. Overall we find that structural fluidity is facilitated by fluctuating hydrogen bond, π(+)-π(+) and anion-π(+) interactions.

  2. ALPHA-AMYLASE ACTIVITY IN VARIOUS CONCENTRATIONS OF THE IONIC LIQUID, 1-BUTYL-3-METHYLIMIDAZOLIUM CHLORIDE

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Starch is an extremely abundant, economical and versatile industrial commodity. Many industrial uses of starch depend on hydrolyzing the polymer for the conversion of glucose and maltodextrins. Starch hydrolysis is frequently achieved by utilizing alpha-amylase, which is an endo-acting enzyme that...

  3. Chloride Requirement for Monoamine Transporters

    PubMed Central

    De Felice, Louis J

    2016-01-01

    This review focuses on the Cl− requirement for dopamine, serotonin, and norepinephrine (DA, 5-HT, and NE) transport and induced current via the transporters for these transmitters, DAT, SERT, and NET. Indirect evidence exists for the passage of Cl− ions through monoamine transporters; however, direct evidence is sparse. An unanswered question is why in some preparations, notably native neurons, it appears that Cl− ions carry the current through DAT, whereas in heterologous expression systems Na+ ions carry the current often referred to as the uncoupled current. It is suggested that different functional states in monoamine transporters represent conformational states that carry dominantly Cl− or Na+. Structures of monoamine transporters contribute enormously to structure-function relationships; however, thus far no structural features support the functionally relevant ionic currents that are known to exist in monoamine transporters. PMID:26794730

  4. First principles approach to ionicity of fragments

    NASA Astrophysics Data System (ADS)

    Pilania, Ghanshyam; Liu, Xiang-Yang; Valone, Steven M.

    2015-02-01

    We develop a first principles approach towards the ionicity of fragments. In contrast to the bond ionicity, the fragment ionicity refers to an electronic property of the constituents of a larger system, which may vary from a single atom to a functional group or a unit cell to a crystal. The fragment ionicity is quantitatively defined in terms of the coefficients of contributing charge states in a superposition of valence configurations of the system. Utilizing the constrained density functional theory-based computations, a practical method to compute the fragment ionicity from valence electron charge densities, suitably decomposed according to the Fragment Hamiltonian (FH) model prescription for those electron densities, is presented for the first time. The adopted approach is illustrated using BeO, MgO and CaO diatomic molecules as simple examples. The results are compared and discussed with respect to the bond ionicity scales of Phillips and Pauling.

  5. Chloride substitution in sodium borohydride

    SciTech Connect

    Ravnsbaek, Dorthe B.; Rude, Line H.; Jensen, Torben R.

    2011-07-15

    The dissolution of sodium chloride and sodium borohydride into each other resulting in formation of solid solutions of composition Na(BH{sub 4}){sub 1-x}Cl{sub x} is studied. The dissolution reaction is facilitated by two methods: ball milling or combination of ball milling and annealing at 300 deg. C for three days of NaBH{sub 4}-NaCl samples in molar ratios of 0.5:0.5 and 0.75:0.25. The degree of dissolution is studied by Rietveld refinement of synchrotron radiation powder X-ray diffraction (SR-PXD) data. The results show that dissolution of 10 mol% NaCl into NaBH{sub 4}, forming Na(BH{sub 4}){sub 0.9}Cl{sub 0.1}, takes place during ball milling. A higher degree of dissolution of NaCl in NaBH{sub 4} is obtained by annealing resulting in solid solutions containing up to 57 mol% NaCl, i.e. Na(BH{sub 4}){sub 0.43}Cl{sub 0.57}. In addition, annealing results in dissolution of 10-20 mol% NaBH{sub 4} into NaCl. The mechanism of the dissolution during annealing and the decomposition pathway of the solid solutions are studied by in situ SR-PXD. Furthermore, the stability upon hydrogen release and uptake were studied by Sieverts measurements. - Graphical Abstract: Dissolution of sodium chloride and sodium borohydride into each other resulting in formation of solid solutions of composition Na(BH{sub 4}){sub 1-x}Cl{sub x} is studied. Dissolution is facilitated by two methods: ball milling or annealing at 300 deg. C for three days of NaBH{sub 4}-NaCl samples. Sample compositions and dissolution mechanism are studied by Rietveld refinement of synchrotron radiation powder X-ray diffraction data. Highlights: > Studies of dissolution of sodium chloride and sodium borohydride into each other. > Solid state diffusion facilitated by mechanical and thermal treatments. > Dissolution is more efficiently induced by heating than by mechanical treatment. > Mechanism for dissolution studied by Rietveld refinement of in situ SR-PXD data.

  6. Recycling of electric arc furnace dust through dissolution in deep eutectic ionic liquids and electrowinning.

    PubMed

    Bakkar, Ashraf

    2014-09-15

    The dust waste formed during steelmaking in electric arc furnace (EAF) is rich in ferrous and nonferrous metals. Recycling of this dust as a raw material in iron or steel-making is hazardous and therefore it is mostly dumped. This paper demonstrates recycling of EAF dust through selective dissolution of metal oxides in a deep eutectic ionic liquid. It was found that about 60% of Zn and 39% of Pb could be dissolved from the dust when stirred for 48h in 1 choline chloride:2 urea ionic liquid at 60°C. The resultant electrolyte was subsequently fed to a conventional three-electrode cell where cyclic voltammetry (CV) measurements were conducted to describe its electrochemical behavior. Two deposition peaks were determined and ascribed to deposition of zinc and lead. Static potentials were successively applied to electrowin metallic zinc. SEM/EDX investigations showed that the zinc electrowon contained remarkable contents of lead.

  7. Enhanced extraction of patchouli alcohol from Pogostemon cablin by microwave radiation-accelerated ionic liquid pretreatment.

    PubMed

    Fan, Ling; Jin, Ronghua; Liu, Yinghu; An, Min; Chen, Shi

    2011-11-15

    A microwave radiation-accelerated ionic liquid pretreatment (MRAILP) was developed to enhance extraction of patchouli alcohol from Pogostemon cablin. 1-N-butyl-3-methylimidazolium chloride ([C(4)mim]Cl) was selected as microwave absorbing and cellulose dissolution medium and microwave was applied to accelerate sample dissolution. The conditions of MRAILP including particle size, solvent, microwave pretreatment time and power and the ratio of ionic liquid (IL) to sample were optimized. Under the optimized conditions, the extraction yield of patchouli alcohol by the MRAILP was 1.94%, which has increased by 166% compared with microwave-assisted extraction. The recovery was in the range of 95.71-103.7% with relative standard deviation lower than 3.0%. It was a novel alternative extraction method for the fast extraction and determination of patchouli alcohol from Pogostemon cablin.

  8. Structural features affecting the enzymatic digestibility of pine wood pretreated with ionic liquids.

    PubMed

    Torr, Kirk M; Love, Karen T; Simmons, Blake A; Hill, Stefan J

    2016-03-01

    Pretreating lignocellulosic biomass with certain ionic liquids results in structural and chemical changes that make the biomass more digestible by enzymes. In this study, pine wood was pretreated with 1-ethyl-3-methylimidazolium chloride/acetate ([C2 mim]Cl and [C2 mim][OAc]) at different temperatures to investigate the relative importance of substrate features, such as accessible surface area, cellulose crystallinity, and lignin content, on enzymatic digestibility. The ionic liquid pretreatments resulted in glucan conversions ranging from 23% to 84% on saccharification of the substrates, with [C2 mim][OAc] being more effective than [C2 mim]Cl. The pretreatments resulted in no delignification of the wood, some loss of cellulose crystallinity under certain conditions, and varying levels of increased surface area. Enzymatic digestibility closely correlated with accessible surface area and porosity measurements obtained using Simons' staining and thermoporosimetry techniques. Increased accessible surface area was identified as the principal structural feature responsible for the improved enzymatic digestibility.

  9. Optimization of lignin production from empty fruit bunch via liquefaction with ionic liquid.

    PubMed

    Sidik, Dilaeleyana Abu Bakar; Ngadi, Norzita; Amin, Nor Aishah Saidina

    2013-05-01

    The production of lignin from empty fruit bunch (EFB) has been carried out using liquefaction method with 1-butyl-3-methylimidazolium chloride ([BMIM]Cl) ionic liquid (IL), in presence of sulfuric acid (H2SO4) as a catalyst. Response surface methodology (RSM) based on a factorial Central Composite Design (CCD) was employed to identify the optimum condition for lignin yield. The result indicated that the second order model was adequate for all the independent variables on the response with R(2)=0.8609. The optimum temperature, time, ionic liquid to EFB ratio, and catalyst concentration were 150.5 °C, 151 min, 3:1 wt/wt and 4.73 wt%, respectively for lignin yield=26.6%. The presence of lignin liquefied product was confirmed by UV-Vis and FTIR analysis. It was also demonstrated lignin extraction from lignocellulosic using recycled IL gave sufficient performance.

  10. Facilitated Ion Transport in Smectic Ordered Ionic Liquid Crystals.

    PubMed

    Lee, Jin Hong; Han, Kee Sung; Lee, Je Seung; Lee, Albert S; Park, Seo Kyung; Hong, Sung Yun; Lee, Jong-Chan; Mueller, Karl T; Hong, Soon Man; Koo, Chong Min

    2016-11-01

    A novel ionic mixture of an imidazolium-based room-temperature ionic liquid containing ethylene-oxide-functionalized phosphite anions is fabricated, which, when doped with lithium salt, self-assembles into a smectic-ordered ionic liquid crystal through Coulombic interactions between the ion species. Interestingly, the smectic order in the ionic-liquid-crystal ionogel facilitates ionic transport.

  11. Synthesis and phytotoxicity of new ionic liquids incorporating chiral cations and/or chiral anions.

    PubMed

    Bałczewski, Piotr; Bachowska, Barbara; Białas, Tomasz; Biczak, Robert; Wieczorek, Wanda M; Balińska, Agnieszka

    2007-03-07

    The aim of this work was to synthesize chiral ionic liquids as chiral solvents for organic synthesis and to evaluate the phyto(eco)toxicity of the new products and starting N-alkylimidazoles and their potential environmental influence on soil and plants. Chiral ionic liquids containing anions such as Cl-, Br-, TsO-, PF6(-), NO3(-), CF3SO3(-), and (+)- and (-)-C6H5CH(OH)C(O)O- were synthesized using (-)-(1R)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-ethyl [(-)-(1R)-nopyl] halides (X = Cl, Br) and tosylate in 62-100% yields. The chloride 7 and the nitrate 13 ionic liquids possessed a toxicity dependent on the applied concentration. The lowest concentration causing a distinct reduction in plant germination/growth was 100 mg/kg. Spring barley better tolerated the ionic liquids (200 mg/kg) than common radish (100 mg/kg). The nitrate liquid did not exhibit an inhibiting effect on the germination ability of seeds. The starting N-methylimidazole used in lower concentrations (1 and 10 mg/kg of soil dry weight) was not phytotoxic, in contrast to higher doses (>1000 mg/kg).

  12. The Highly Selective and Near-Quantitative Conversion of Glucose to 5-Hydroxymethylfurfural Using Ionic Liquids

    PubMed Central

    Eminov, Sanan; Brandt, Agnieszka; Wilton-Ely, James D. E. T.

    2016-01-01

    A number of ionic liquids have been shown to be excellent solvents for lignocellulosic biomass processing, and some of these are particularly effective in the production of the versatile chemical building block 5-hydroxymethylfurfural (HMF). In this study, the production of HMF from the simple sugar glucose in ionic liquid media is discussed. Several aspects of the selective catalytic formation of HMF from glucose have been elucidated using metal halide salts in two distinct ionic liquids, 1-butyl-3-methylimidazolium chloride and 1-butyl-3-methylimidazolium hydrogen sulfate as well as mixtures of these, revealing key features for accelerating the desired reaction and suppressing byproduct formation. The choice of ionic liquid anion is revealed to be of particular importance, with low HMF yields in the case of hydrogen sulfate-based salts, which are reported to be effective for HMF production from fructose. The most successful system investigated in this study led to almost quantitative conversion of glucose to HMF (90% in only 30 minutes using 7 mol% catalyst loading at 120°C) in a system which is selective for the desired product, has low energy intensity and is environmentally benign. PMID:27711238

  13. The effect of ionic conditions on DNA helical repeat, effective diameter and free energy of supercoiling.

    PubMed Central

    Rybenkov, V V; Vologodskii, A V; Cozzarelli, N R

    1997-01-01

    We determined the free energy of DNA supercoiling as a function of the concentration of magnesium and sodium chloride in solution by measuring the variance of the equilibrium distribution of DNA linking number,<(DeltaLk)2>. We found that the free energy of supercoiling changed >1.5-fold over the range of ionic conditions studied. Comparison of the experimental results with those of computer simulations showed that the ionic condition dependence of<(DeltaLk)2>is due mostly to the change in DNA effective diameter, d, a parameter characterizing the electrostatic interaction of DNA segments. To make this comparison we determined values of d under all ionic conditions studied by measuring the probability of knot formation during random cyclization of linear DNA molecules. From the topoisomer distributions we could also determine the changes in DNA helical repeat, gamma, in mixed NaCl/MgCl2 solutions. Both gamma and d exhibited a complex pattern of changes with changing ionic conditions, which can be described in terms of competition between magnesium and sodium ions for binding to DNA. PMID:9060437

  14. Refolding of horseradish peroxidase is enhanced in presence of metal cofactors and ionic liquids.

    PubMed

    Bae, Sang-Woo; Eom, Doyoung; Mai, Ngoc Lan; Koo, Yoon-Mo

    2016-03-01

    The effects of various refolding additives, including metal cofactors, organic co-solvents, and ionic liquids, on the refolding of horseradish peroxidase (HRP), a well-known hemoprotein containing four disulfide bonds and two different types of metal centers, a ferrous ion-containing heme group and two calcium atoms, which provide a stabilizing effect on protein structure and function, were investigated. Both metal cofactors (Ca(2+) and hemin) and ionic liquids have positive impact on the refolding of HRP. For instance, the HRP refolding yield remarkably increased by over 3-fold upon addition of hemin and calcium chloride to the refolding buffer as compared to that in the conventional urea-containing refolding buffer. Moreover, the addition of ionic liquids [EMIM][Cl] to the hemin and calcium cofactor-containing refolding buffer further enhanced the HRP refolding yield up to 80% as compared to 12% in conventional refolding buffer at relatively high initial protein concentration (5 mg/ml). These results indicated that refolding method utilizing metal cofactors and ionic liquids could enhance the yield and efficiency for metalloprotein.

  15. Early Events in Ionic Liquid Radiation Chemistry

    SciTech Connect

    Wishart, J.F.; Cook, A.; Rimmer, R.D.; Gohdo, M.

    2010-09-14

    Ionic liquids are interesting and useful materials whose solvation time scales are up to thousands of times longer than in conventional solvents. The extended lifetimes of pre-solvated electrons and other energetic species in ionic liquids has profound consequences for the radiolytic product distributions and reactivity patterns. We use a newly developed, multiplexed variation of pulse-probe spectroscopy to measure the kinetics of the early dynamical and reactive events in ionic liquids.

  16. Highly Selective Ionic Block Copolymer Membranes

    DTIC Science & Technology

    2010-11-10

    commonly used ionic polymer membrane in fuel cells ) as a function of methanol solution concentration using time-resolved FTIR-ATR spectroscopy. This...this field of study. These results suggest that methanol fuel cell performance and efficiency can be improved by developing new ionic polymers that...methanol sorption in the membrane and not diffusion. The typical assumption in ionic polymer development for the methanol fuel cell is that the diffusion

  17. 75 FR 19657 - Barium Chloride From China

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-15

    ... Chloride From China AGENCY: United States International Trade Commission. ACTION: Notice of Commission... China. SUMMARY: The Commission hereby gives notice that it will proceed with a full review pursuant to... antidumping duty order on barium chloride from China would be likely to lead to continuation or recurrence...

  18. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Zinc chloride. 182.8985 Section 182.8985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride....

  19. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Zinc chloride. 182.8985 Section 182.8985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride....

  20. 21 CFR 182.8985 - Zinc chloride.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Zinc chloride. 182.8985 Section 182.8985 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Nutrients § 182.8985 Zinc chloride....