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Sample records for model ionic liquid

  1. Modeling of ionic liquids

    Science.gov (United States)

    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.

  2. Modelling room temperature ionic liquids.

    Science.gov (United States)

    Bhargava, B L; Balasubramanian, Sundaram; Klein, Michael L

    2008-08-07

    Room temperature ionic liquids (IL) composed of organic cations and inorganic anions are already being utilized for wide-ranging applications in chemistry. Complementary to experiments, computational modelling has provided reliable details into the nature of their interactions. The intra- and intermolecular structures, dynamic and transport behaviour and morphologies of these novel liquids have also been explored using simulations. The current status of molecular modelling studies is presented along with the prognosis for future work in this area.

  3. Modeling electrokinetics in ionic liquids: General

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-04-07

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

  4. Reactions of Lignin Model Compounds in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Holladay, John E.; Binder, Joseph B.; Gray, Michel J.; White, James F.; Zhang, Z. Conrad

    2009-09-15

    Lignin, a readily available form of biomass, awaits novel chemistry for converting it to valuable aromatic chemicals. Recent work has demonstrated that ionic liquids are excellent solvents for processing woody biomass and lignin. Seeking to exploit ionic liquids as media for depolymerization of lignin, we investigated reactions of lignin model compounds in these solvents. Using Brønsted acid catalysts in 1-ethyl-3-methylimidazolium triflate at moderate temperatures, we obtained up to 11.6% yield of the dealkylation product guaiacol from the model compound eugenol and cleaved phenethyl phenyl ether, a model for lignin ethers. Despite these successes, acid catalysis failed in dealkylation of the unsaturated model compound 4-ethylguaiacol and did not produce monomeric products from organosolv lignin, demonstrating that further work is required to understand the complex chemistry of lignin depolymerization.

  5. Predictive model for ionic liquid extraction solvents for rare earth elements

    Science.gov (United States)

    Grabda, Mariusz; Oleszek, Sylwia; Panigrahi, Mrutyunjay; Kozak, Dmytro; Eckert, Franck; Shibata, Etsuro; Nakamura, Takashi

    2015-12-01

    The purpose of our study was to select the most effective ionic liquid extraction solvents for dysprosium (III) fluoride using a theoretical approach. Conductor-like Screening Model for Real Solvents (COSMO-RS), based on quantum chemistry and the statistical thermodynamics of predefined DyF3-ionic liquid systems, was applied to reach the target. Chemical potentials of the salt were predicted in 4,400 different ionic liquids. On the base of these predictions set of ionic liquids' ions, manifesting significant decrease of the chemical potentials, were selected. Considering the calculated physicochemical properties (hydrophobicity, viscosity) of the ionic liquids containing these specific ions, the most effective extraction solvents for liquid-liquid extraction of DyF3 were proposed. The obtained results indicate that the COSMO-RS approach can be applied to quickly screen the affinity of any rare earth element for a large number of ionic liquid systems, before extensive experimental tests.

  6. Predictive model for ionic liquid extraction solvents for rare earth elements

    Energy Technology Data Exchange (ETDEWEB)

    Grabda, Mariusz; Oleszek, Sylwia [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2,1-Katahira, 2-Chome, 980-8577 Sendai (Japan); Institute of Environmental Engineering of the Polish Academy of Sciences, ul. M. Sklodowskiej-Curie 34, 41-819, Zabrze (Poland); Panigrahi, Mrutyunjay; Kozak, Dmytro; Shibata, Etsuro; Nakamura, Takashi [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2,1-Katahira, 2-Chome, 980-8577 Sendai (Japan); Eckert, Franck [COSMOlogic GmbH & Co KG, Imbacher Weg 46, 50379 Leverkusen (Germany)

    2015-12-31

    The purpose of our study was to select the most effective ionic liquid extraction solvents for dysprosium (III) fluoride using a theoretical approach. Conductor-like Screening Model for Real Solvents (COSMO-RS), based on quantum chemistry and the statistical thermodynamics of predefined DyF{sub 3}-ionic liquid systems, was applied to reach the target. Chemical potentials of the salt were predicted in 4,400 different ionic liquids. On the base of these predictions set of ionic liquids’ ions, manifesting significant decrease of the chemical potentials, were selected. Considering the calculated physicochemical properties (hydrophobicity, viscosity) of the ionic liquids containing these specific ions, the most effective extraction solvents for liquid-liquid extraction of DyF{sub 3} were proposed. The obtained results indicate that the COSMO-RS approach can be applied to quickly screen the affinity of any rare earth element for a large number of ionic liquid systems, before extensive experimental tests.

  7. Densities and isothermal compressibilities of ionic liquids - Modelling and application

    DEFF Research Database (Denmark)

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

    2010-01-01

    Two corresponding-states forms have been developed for direct correlation function integrals in liquids to represent pressure effects on the volume of ionic liquids over wide ranges of temperature and pressure. The correlations can be analytically integrated from a chosen reference density to pro...

  8. Acidic Ionic Liquids.

    Science.gov (United States)

    Amarasekara, Ananda S

    2016-05-25

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

  9. Multiscale modeling of the trihexyltetradecylphosphonium chloride ionic liquid.

    Science.gov (United States)

    Wang, Yong-Lei; Sarman, Sten; Li, Bin; Laaksonen, Aatto

    2015-09-14

    A multiscale modeling protocol was sketched for the trihexyltetradecylphosphonium chloride ([P6,6,6,14]Cl) ionic liquid (IL). The optimized molecular geometries of an isolated [P6,6,6,14] cation and a tightly bound [P6,6,6,14]Cl ion pair structure were obtained from quantum chemistry ab initio calculations. A cost-effective united-atom model was proposed for the [P6,6,6,14] cation based on the corresponding atomistic model. Atomistic and coarse-grained molecular dynamics simulations were performed over a wide temperature range to validate the proposed united-atom [P6,6,6,14] model against the available experimental data. Through a systemic analysis of volumetric quantities, microscopic structures, and transport properties of the bulk [P6,6,6,14]Cl IL under varied thermodynamic conditions, it was identified that the proposed united-atom [P6,6,6,14] cationic model could essentially capture the local intermolecular structures and the nonlocal experimental thermodynamics, including liquid density, volume expansivity and isothermal compressibility, and transport properties, such as zero-shear viscosity, of the bulk [P6,6,6,14]Cl IL within a wide temperature range.

  10. Liquid-vapor coexistence in a primitive model for a room-temperature ionic liquid.

    Science.gov (United States)

    Martín-Betancourt, Marianela; Romero-Enrique, José M; Rull, Luis F

    2009-07-09

    We present a primitive model for a room-temperature ionic liquid, where the cation is modeled as a charged hard spherocylinder of diameter sigma and length l and the anion as a charged hard sphere of diameter sigma. Liquid-vapor coexistence curves and critical parameters for this model have been studied by grand-canonical Monte Carlo methods. Our results show a decrease of both the critical temperature and density as the cation length l increases. These results are in qualitative agreement with recent experimental estimates of the critical parameters.

  11. Predictive model for the heat capacity of ionic liquids using the mass connectivity index

    Energy Technology Data Exchange (ETDEWEB)

    Valderrama, Jose O., E-mail: jvalderr@userena.cl [Univ. of La Serena, Fac. of Engineering, Dept. of Mech. Eng., Casilla 554, La Serena (Chile); Center for Technological Information (CIT), Casilla 724, La Serena (Chile); Martinez, Gwendolyn [Center for Technological Information (CIT), Casilla 724, La Serena (Chile); Univ. Nacional Pedro Ruiz Gallo, Fac. of Chemical Engineering, Lambayeque (Peru); Rojas, Roberto E. [Univ. of La Serena, Fac. of Sciences, Dept. of Chemistry, Casilla 554, La Serena (Chile)

    2011-01-20

    A simple and accurate model to predict the heat capacity of ionic liquids is presented. The proposed model considers variables readily available for ionic liquids and that have important effect on heat capacity, according to the literature information. Additionally a recently defined structural parameter known as mass connectivity index is incorporated into the model. A set of 602 heat capacity data for 146 ionic liquids have been used in the study. The results were compared with experimental data and with values reported by other available estimation methods. Results show that the new simple correlation gives low deviations and can be used with confidence in thermodynamic and engineering calculations.

  12. Predictive modeling studies for the ecotoxicity of ionic liquids towards the green algae Scenedesmus vacuolatus.

    Science.gov (United States)

    Das, Rudra Narayan; Roy, Kunal

    2014-06-01

    Hazardous potential of ionic liquids is becoming an issue of high concern with increasing application of these compounds in various industrial processes. Predictive toxicological modeling on ionic liquids provides a rational assessment strategy and aids in developing suitable guidance for designing novel analogues. The present study attempts to explore the chemical features of ionic liquids responsible for their ecotoxicity towards the green algae Scenedesmus vacuolatus by developing mathematical models using extended topochemical atom (ETA) indices along with other categories of chemical descriptors. The entire study has been conducted with reference to the OECD guidelines for QSAR model development using predictive classification and regression modeling strategies. The best models from both the analyses showed that ecotoxicity of ionic liquids can be decreased by reducing chain length of cationic substituents and increasing hydrogen bond donor feature in cations, and replacing bulky unsaturated anions with simple saturated moiety having less lipophilic heteroatoms.

  13. Anomalously large capacitance of an ionic liquid described by the restricted primitive model

    CERN Document Server

    Loth, M S; Shklovskii, B I

    2010-01-01

    We use Monte Carlo simulations to examine the simplest model of an ionic liquid, called the restricted primitive model, at a metal surface. We find that at moderately low temperatures the capacitance of the metal/ionic liquid interface is so large that the effective thickness of the electrostatic double-layer is smaller than the ion radius. We suggest a semi-quantitative theory to describe these results.

  14. Ionic liquids in tribology.

    Science.gov (United States)

    Minami, Ichiro

    2009-06-24

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

  15. Ionic Liquids in Tribology

    Directory of Open Access Journals (Sweden)

    Ichiro Minami

    2009-06-01

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

  16. Densities of Pure Ionic Liquids and Mixtures: Modeling and Data Analysis

    DEFF Research Database (Denmark)

    Abildskov, Jens; O’Connell, John P.

    2015-01-01

    Our two-parameter corresponding states model for liquid densities and compressibilities has been extended to more pure ionic liquids and to their mixtures with one or two solvents. A total of 19 new group contributions (5 new cations and 14 new anions) have been obtained for predicting pressure...

  17. Liquid-vapour equilibrium in the restricted primitive model for ionic liquids

    Science.gov (United States)

    Gillan, M. J.

    We study the thermodynamic equilibrium between liquid and vapour for the restricted primitive model (charged hard spheres of equal diameters) of a two component ionic liquid. We point out that physical clustering of ions will have a crucial effect on this equilibrium. The calculations presented are based on the representation of the vapour as a mixture of clusters of different types, the interactions between clusters being neglected. The relative proportions of the different types are governed by the law of mass action. We show that neglect of interactions yields a lower bound to the true vapour pressure. The internal free energies of the clusters in the vapour are obtained from a combination of analytic and Monte Carlo calculations and the thermodynamic properties of the liquid phase are derived from Larsen's published Monte Carlo results. We present numerical results for the densities of different cluster types in the vapour phase, for the overall liquid and vapour densities and for the vapour pressure. A comparison with the predictions of the mean spherical approximation and of Larsen's empirical equation show that these yield vapour pressures which are far below our lower bound and are therefore erroneous. We point out that Larsen's equation implies a weak subsidiary critical point on the liquid branch of the coexistence curve, an effect which we suggest is spurious. Finally, we discuss the relation between our work and that of Stell, Wu and Larsen.

  18. A model with charges and polarizability for CS₂ in an ionic liquid

    Indian Academy of Sciences (India)

    RUTH M LYNDEN-BELL; ANTHONY J STONE

    2017-07-01

    The environment of a solute molecule in an ionic liquid is likely to have large fluctuating electrostatic fields, and so the electrostatic properties of such a solute including its charge distribution and its polarizability may make a difference to both its static and dynamic properties. We have developed a new model forthe static electrostatic distribution in the CS₂ molecule with 7 charged sites and anisotropic polarizability on the carbon site and isotropic polarizability on the sulfurs. We have investigated static and dynamic properties of the neat liquid and solutions of CS₂ in an ionic liquid, [dmim][NTf₂].

  19. Equation of state modelling of systems with ionic liquids: Literature review and application with the Cubic Plus Association (CPA) model

    DEFF Research Database (Denmark)

    Maia, Filipa Meireles; Tsivintzelis, Ioannis; Rodriguez, Oscar

    2012-01-01

    -ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][NTf2]) and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide([C4mim][NTf2]). The first step was to study an adequate approach for the determination of pure component parameters for the ionic liquids. The parameters were...... obtained by fitting the predictions of the model to experimental vapour pressure and liquid density data. The parameters provide a good description of both experimental vapour pressures and liquid density, with maximum percentage deviations of respectively 8.9 and 1.3% for [C2mim][NTf2] and 5.7 and 0.......5% for [C4mim][NTf2]. Different sets of pure component parameters for each ionic liquid were considered and their suitability to describe the behaviour of ionic liquids was evaluated by modelling the vapour–liquid equilibria (VLE) of mixtures with CO2 and the liquid–liquid equilibria (LLE) with water...

  20. Ionic liquids in chemical engineering.

    Science.gov (United States)

    Werner, Sebastian; Haumann, Marco; Wasserscheid, Peter

    2010-01-01

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

  1. Phase behaviour and dynamics in primitive models of molecular ionic liquids

    Directory of Open Access Journals (Sweden)

    G.C. Ganzenmüller

    2011-09-01

    Full Text Available The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and cation-shape anisotropy, which are all prominent features of important materials such as room-temperature ionic liquids. The vapour-liquid phase diagrams are determined using high-precision Monte Carlo simulations, setting the scene for in-depth studies of ion dynamics in the liquid state. Molecular dynamics simulations are used to explore the structure, single-particle translational and rotational autocorrelation functions, cation orientational autocorrelations, self diffusion, viscosity, and frequency-dependent conductivity. The results reveal some of the molecular-scale mechanisms for charge transport, involving molecular translation, rotation, and association.

  2. Development of a LSSVM-GC model for estimating the electrical conductivity of ionic liquids

    DEFF Research Database (Denmark)

    Gharagheizi, Farhad; Ilani-Kashkouli, Poorandokht; Sattari, Mehdi

    2014-01-01

    In this communication, an extensive set of 1077 experimental electrical conductivity data for 54 ionic liquids (ILs) was collected from 21 different literature sources. Using this dataset, a reliable least square support vector machine-group contribution (LSSVM-GC) model has been developed, which...

  3. Applications of functionalized ionic liquids

    Institute of Scientific and Technical Information of China (English)

    LI; Xuehui; ZHAO; Dongbin; FEI; Zhaofu; WANG; Lefu

    2006-01-01

    Recent developments of the synthesis and applications of functionalized ionic liquids(including dual-functionalized ionic liquids) have been highlighted in this review. Ionic liquids are attracting attention as alternative solvents in green chemistry, but as more functionalized ILs are prepared, a greater number of applications in increasingly diverse fields are found.

  4. Fluctuating hydrodynamics for ionic liquids

    Science.gov (United States)

    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.

  5. MODELING VAPOR LIQUID EQUILIBRIUM OF IONIC LIQUIDS plus GAS BINARY SYSTEMS AT HIGH PRESSURE WITH CUBIC EQUATIONS OF STATE

    OpenAIRE

    Freitas, ACD; Cunico, LP; M. Aznar; Guirardello,R.

    2013-01-01

    Ionic liquids (IL) have been described as novel environmentally benign solvents because of their remarkable characteristics. Numerous applications of these solvents continue to grow at an exponential rate. In this work, high pressure vapor liquid equilibria for 17 different IL + gas binary systems were modeled at different temperatures with Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state, combined with the van der Waals mixing rule with two binary interaction parameters (v...

  6. Ionic and Molecular Liquids

    DEFF Research Database (Denmark)

    Chaban, Vitaly V.; Prezhdo, Oleg

    2013-01-01

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

  7. Ion pairing and phase behaviour of an asymmetric restricted primitive model of ionic liquids

    Science.gov (United States)

    Lu, Hongduo; Li, Bin; Nordholm, Sture; Woodward, Clifford E.; Forsman, Jan

    2016-12-01

    An asymmetric restricted primitive model (ARPM) of electrolytes is proposed as a simple three parameter (charge q, diameter d, and charge displacement b) model of ionic liquids and solutions. Charge displacement allows electrostatic and steric interactions to operate between different centres, so that orientational correlations arise in ion-ion interactions. In this way the ionic system may have partly the character of a simple ionic fluid/solid and of a polar fluid formed from ion pairs. The present exploration of the system focuses on the ion pair formation mechanism, the relative concentration of paired and free ions and the consequences for the cohesive energy, and the tendency to form fluid or solid phase. In contrast to studies of similar (though not identical) models in the past, we focus on behaviours at room temperature. By MC and MD simulations of such systems composed of monovalent ions of hard-sphere (or essentially hard-sphere) diameter equal to 5 Å and a charge displacement ranging from 0 to 2 Å from the hard-sphere origin, we find that ion pairing dominates for b larger than 1 Å. When b exceeds about 1.5 Å, the system is essentially a liquid of dipolar ion pairs with a small presence of free ions. We also investigate dielectric behaviours of corresponding liquids, composed of purely dipolar species. Many basic features of ionic liquids appear to be remarkably consistent with those of our ARPM at ambient conditions, when b is around 1 Å. However, the rate of self-diffusion and, to a lesser extent, conductivity is overestimated, presumably due to the simple spherical shape of our ions in the ARPM. The relative simplicity of our ARPM in relation to the rich variety of new mechanisms and properties it introduces, and to the numerical simplicity of its exploration by theory or simulation, makes it an essential step on the way towards representation of the full complexity of ionic liquids.

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

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    2009-01-01

    spectroscopy and ab-initio molecular orbital calculations. A discussion is given, based mainly on some recent FT- Raman spectroscopic results on the model ionic liquid system of 1-butyl-3-methyl-imidazolium ([C4C1Im]+X-) salts. The rotational isomerism of the [C4C1Im]+ cation is described: the presence of anti...... systems in the future. A few examples will be discussed. Contents 12.1 Introduction...........307 12.2 Brief introduction to Raman spectroscopy ..............309 12.2.1 Basics .....................309 12.2.2 Experimental, fluorescence and fouriertransform- Raman spectroscopy instrumentation ...... 311 12.......3 Brief introduction to ab-initio model calculations .... 312 12.4 Case study on Raman spectroscopy and structure of imidazolium-based ionic liquids ..... 312 12.5 Raman spectra and structure of [C4C1Im]+ liquids ..... 315 12.6 Normal mode analysis and rotational isomerism of the [C4C1Im]+ cation...

  9. A Microscopic Model for the Liquid Metal - Ionic Solution Interface.

    Science.gov (United States)

    1983-02-10

    Chemistry 1. Laboratoire de Physique des Liquides et Electrochimie , Universite Pierre et Marie Curie, 4 place Jussieu, 752?0 PARIS CEDEX 05, FRANCE...Laboratoire de Physique des Liquides et Electrochimie , Universita Pie=re at Marie Curie, 4 place Jussieu, 75230 PARIS CEDEX 05, FRANCE. F. VERICAI 0

  10. The average free volume model for the ionic and simple liquids

    CERN Document Server

    Yu, Yang

    2014-01-01

    In this work, the molar volume thermal expansion coefficient of 60 room temperature ionic liquids is compared with their van der Waals volume Vw. Regular correlation can be discerned between the two quantities. An average free volume model, that considers the particles as hard core with attractive force, is proposed to explain the correlation in this study. Some typical one atom liquids (molten metals and liquid noble gases) are introduced to verify this hypothesis. Good agreement between the theory prediction and experimental data can be obtained.

  11. Cyclic phosphonium ionic liquids

    Directory of Open Access Journals (Sweden)

    Sharon I. Lall-Ramnarine

    2014-01-01

    Full Text Available Ionic liquids (ILs incorporating cyclic phosphonium cations are a novel category of materials. We report here on the synthesis and characterization of four new cyclic phosphonium bis(trifluoromethylsulfonylamide ILs with aliphatic and aromatic pendant groups. In addition to the syntheses of these novel materials, we report on a comparison of their properties with their ammonium congeners. These exemplars are slightly less conductive and have slightly smaller self-diffusion coefficients than their cyclic ammonium congeners.

  12. Wettability by Ionic Liquids.

    Science.gov (United States)

    Liu, Hongliang; Jiang, Lei

    2016-01-06

    Ionic liquids (ILs) have become particularly attractive recently because they have demonstrated themselves to be important construction units in the broad fields of chemistry and materials science, from catalysis and synthesis to analysis and electrochemistry, from functional fluids to clean energy, from nanotechnology to functional materials. One of the greatest issues that determines the performance of ILs is the wettability of correlated surfaces. In this concept article, the key developments and issues in IL wettability are surveyed, including the electrowetting of ILs in gas-liquid-solid systems and liquid-liquid-solid systems, ILs as useful probe fluids, the superwettability of Ils, and future directions in IL wettability. This should generate extensive interest in the field and encourage more scientists to engage in this area to tackle its scientific challenges.

  13. Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    2007-01-01

    spectroscopy and ab-initio molecular orbital calculations. A discussion is given, based mainly on some recent FT-Raman spectroscopic results on the model ionic liquid system of 1-butyl-3-methylimidazolium ([C4mim][X]) salts. The rotational isomerism of the [C4mim]þ cation is described: the presence of anti...... will be applied to many more systems in the future. A few examples will be discussed....

  14. Graphene-ionic liquid composites

    Science.gov (United States)

    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.

  15. Filling environmental data gaps with QSPR for ionic liquids: Modeling n-octanol/water coefficient.

    Science.gov (United States)

    Rybinska, Anna; Sosnowska, Anita; Grzonkowska, Monika; Barycki, Maciej; Puzyn, Tomasz

    2016-02-13

    Ionic liquids (ILs) form a wide group of compounds characterized by specific properties that allow using ILs in different fields of science and industry. Regarding that the growing production and use of ionic liquids increase probability of their emission to the environment, it is important to estimate the ability of these compounds to spread in the environment. One of the most important parameters that allow evaluating environmental mobility of compound is n-octanol/water partition coefficient (KOW). Experimental measuring of the KOW values for a large number of compounds could be time consuming and costly. Instead, computational predictions are nowadays being used more often. The paper presents new Quantitative Structure-Property Relationship (QSPR) model that allows predicting the logarithmic values of KOW for 335 ILs, for which the experimentally measured values had been unavailable. We also estimated bioaccumulation potential and point out which group of ILs could have negative impact on environment.

  16. Osmotic pressure of ionic liquids in an electric double layer: Prediction based on a continuum model.

    Science.gov (United States)

    Moon, Gi Jong; Ahn, Myung Mo; Kang, In Seok

    2015-12-01

    An analysis has been performed for the osmotic pressure of ionic liquids in the electric double layer (EDL). By using the electromechanical approach, we first derive a differential equation that is valid for computing the osmotic pressure in the continuum limit of any incompressible fluid in EDL. Then a specific model for ionic liquids proposed by Bazant et al. [M. Z. Bazant, B. D. Storey, and A. A. Kornyshev, Phys. Rev. Lett. 106, 046102 (2011)] is adopted for more detailed computation of the osmotic pressure. Ionic liquids are characterized by the correlation and the steric effects of ions and their effects are analyzed. In the low voltage cases, the correlation effect is dominant and the problem becomes linear. For this low voltage limit, a closed form formula is derived for predicting the osmotic pressure in EDL with no overlapping. It is found that the osmotic pressure decreases as the correlation effect increases. The osmotic pressures at the nanoslit surface and nanoslit centerline are also obtained for the low voltage limit. For the cases of moderately high voltage with high correlation factor, approximate formulas are derived for estimating osmotic pressure values based on the concept of a condensed layer near the electrode. In order to corroborate the results predicted by analytical studies, the full nonlinear model has been solved numerically.

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

    Energy Technology Data Exchange (ETDEWEB)

    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. Viscosity modeling for ionic liquid solutions by Eyring-Wilson equation

    Directory of Open Access Journals (Sweden)

    He Yang-Chun

    2012-01-01

    Full Text Available A semi-theoretical model based on the classical Eyring’s mixture viscosity equation and the Wilson activity coefficient equation is presented for correlating the viscosity of ionic liquids with solvent systems. The accuracy of the proposed model was verified by comparing calculated and experimental viscosity values from literatures for 49mixtures with total 1560 data points. The results show that the equation similar to the Wilson activity coefficient equation can be well applied to describe the non-ideal term in the Eyring’s mixture viscosity equation. The model has a relatively simple mathematical form and can be easily incorporated into process simulation software.

  19. Predictive QSAR modelling of algal toxicity of ionic liquids and its interspecies correlation with Daphnia toxicity.

    Science.gov (United States)

    Roy, Kunal; Das, Rudra Narayan; Popelier, Paul L A

    2015-05-01

    Predictive toxicology using chemometric tools can be very useful in order to fill the data gaps for ionic liquids (ILs) with limited available experimental toxicity information, in view of their growing industrial uses. Though originally promoted as green chemicals, ILs have now been shown to possess considerable toxicity against different ecological endpoints. Against this background, quantitative structure-activity relationship (QSAR) models have been developed here for the toxicity of ILs against the green algae Scenedesmus vacuolatus using computed descriptors with definite physicochemical meaning. The final models emerged from E-state indices, extended topochemical atom (ETA) indices and quantum topological molecular similarity (QTMS) indices. The developed partial least squares models support the established mechanism of toxicity of ionic liquids in terms of a surfactant action of cations and chaotropic action of anions. The models have been developed within the guidelines of the Organization of Economic Co-operation and Development (OECD) for regulatory QSAR models, and they have been validated both internally and externally using multiple strategies and also tested for applicability domain. A preliminary attempt has also been made, for the first time, to develop interspecies quantitative toxicity-toxicity relationship (QTTR) models for the algal toxicity of ILs with Daphnia toxicity, which should be interesting while predicting toxicity of ILs for an endpoint when the data for the other are available.

  20. Electrochemical aspects of ionic liquids

    CERN Document Server

    Ohno, Hiroyuki

    2011-01-01

    The second edition is based on the original book, which has been revised, updated and expanded in order to cover the latest information on this rapidly growing field. The book begins with a description of general and electrochemical properties of ionic liquids and continues with a discussion of applications in biochemistry, ionic devices, functional design and polymeric ionic liquids. The new edition includes new chapters on Li ion Batteries and Actuators, as well as a revision of existing chapters to include a discussion on purification and the effects of impurities, adsorption of ionic liqui

  1. Ionic Liquid Fuels for Chemical Propulsion

    Science.gov (United States)

    2016-10-31

    energetic materials; chemical kinetics ; hypergolic fuels; salts; ligands; lithium; borohydrides; density functional theory; flammability 16. SECURITY...continuum model  DFT  density functional theory  DME   dimethoxethane  DNB  1,5‐dinitrobiuret  GIL   generalized ionic liquid  He  helium  IL  ionic liquid... kinetics and reaction dynamics involved in the hypergolic and catalytic ignition of ionic liquid propellants with the purpose of identifying key

  2. Nanoconfined Ionic Liquids.

    Science.gov (United States)

    Zhang, Shiguo; Zhang, Jiaheng; Zhang, Yan; Deng, Youquan

    2016-12-29

    Ionic liquids (ILs) have been widely investigated as novel solvents, electrolytes, and soft functional materials. Nevertheless, the widespread applications of ILs in most cases have been hampered by their liquid state. The confinement of ILs into nanoporous hosts is a simple but versatile strategy to overcome this problem. Nanoconfined ILs constitute a new class of composites with the intrinsic chemistries of ILs and the original functions of solid matrices. The interplay between these two components, particularly the confinement effect and the interactions between ILs and pore walls, further endows ILs with significantly distinct physicochemical properties in the restricted space compared to the corresponding bulk systems. The aim of this article is to provide a comprehensive review of nanoconfined ILs. After a brief introduction of bulk ILs, the synthetic strategies and investigation methods for nanoconfined ILs are documented. The local structure and physicochemical properties of ILs in diverse porous hosts are summarized in the next sections. The final section highlights the potential applications of nanoconfined ILs in diverse fields, including catalysis, gas capture and separation, ionogels, supercapacitors, carbonization, and lubrication. Further research directions and perspectives on this topic are also provided in the conclusion.

  3. Prediction of gas solubilities in ionic liquids.

    Science.gov (United States)

    Oliferenko, Alexander A; Oliferenko, Polina V; Seddon, Kenneth R; Torrecilla, José S

    2011-10-14

    Ionic liquids (of which it is estimated that there are at least one million simple fluids) generate a rich chemical space, which is now just at the beginning of its systematic exploration. Many properties of ionic liquids are truly unique and, which is more important, can be finely tuned. Differential solubility of industrial chemicals in ionic liquids is particularly interesting, because it can be a basis for novel, efficient, environmentally friendly technologies. Given the vast number of potential ionic liquids, and the impossibility of a comprehensive empirical exploration, it is essential to extract the maximum information from extant data. We report here some computational models of gas solubility. These multiple regression- and neural network-based models cover a chemical space spanned by 48 ionic liquids and 23 industrially important gases. Molecular polarisabilities and special Lewis acidity and basicity descriptors calculated for the ionic liquid cations and anions, as well as for the gaseous solutes, are used as input parameters. The quality of fit "observed versus predicted Henry's law constants" is particularly good for the neural network model. Validation was established with an external dataset, again with a high quality fit. In contrast to many other neural network models published, our model is no "black box", since contributions of the parameters and their nonlinearity characteristics are calculated and analysed.

  4. Hydrophobic ionic liquids

    Science.gov (United States)

    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.

  5. Ionic Liquid Epoxy Resin Monomers

    Science.gov (United States)

    Paley, Mark S. (Inventor)

    2013-01-01

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

  6. Modeling of CO2 solubility in pyridinium-based ionic liquids using UNIQUAC

    Science.gov (United States)

    Yunus, Normawati M.; Shaharun, Maizatul S.; Mutalib, M. I. Abdul; Murugesan, T.

    2016-11-01

    Reliable predictive methods for estimating experimental results over wide range of operating conditions are useful and highly desirable. In this paper, the solubility of CO2 in 1-butylpyridinium bis(trifluoromethylsulfonyl)imide, [C4py][Tf2N] and 1-dodecylpyridinium bis(trifluoromethylsulfonyl)imide, [C12py][Tf2N] ionic liquids have been measured experimentally via gravimetric method using Magnetic Suspension Balance instrument at 298.15K and in the pressures range up to approximately 30 bar. The solubility data was fitted using an activity coefficient model i.e UNIQUAC model. The interaction parameters of the model were estimated. The predicted CO2 solubility data by the model shows good agreement with the experimental data.

  7. Interspecies quantitative structure-toxicity-toxicity (QSTTR) relationship modeling of ionic liquids. Toxicity of ionic liquids to V. fischeri, D. magna and S. vacuolatus.

    Science.gov (United States)

    Das, Rudra Narayan; Roy, Kunal; Popelier, Paul L A

    2015-12-01

    Considering the increasing uses of ionic liquids (ILs) in various industrial processes and chemical engineering operations, a complete assessment of their hazardous profile is essential. In the absence of adequate experimental data, in silico modeling might be helpful in filling data gaps for the toxicity of ILs towards various ecological indicator organisms. Using the rationale of taxonomic relatedness, the development of predictive quantitative structure-toxicity-toxicity relationship (QSTTR) models allows predicting the toxicity of ILs to a particular species using available experimental toxicity data towards a different species. Such studies may employ, along with the available experimental toxicity data to a species, molecular structure features and physicochemical properties of chemicals as independent variables for prediction of the toxicity profile against another closely related species. A few such interspecies toxicity correlation models have been reported in the literature for diverse chemicals in general, but this approach has been rarely applied to the class of ionic liquids. The present study involves the use of IL toxicity data towards the bacteria Vibrio fischeri along with molecular structure derived information or computational descriptors like extended topochemical atom (ETA) indices, quantum topological molecular similarity (QTMS) descriptors and computed lipophilicity measure (logk0) for the interspecies exploration of the toxicity data towards green algae S. vacuolatus and crustacea Daphnia magna, separately. This modeling study has been performed in accordance with the OECD guidelines. Finally, predictions for a true external set have been performed to fill the data gap of toxicity towards daphnids and algae using the Vibrio toxicity data and molecular structure attributes.

  8. Scaling Model of Low-Temperature Transport Properties for Molecular and Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Vitaly B. Rogankov

    2015-01-01

    Full Text Available The universal scaling concept is applied to the low-temperature range of any liquid states and substances located between the melting (Tm and normal boiling (Tb points far away from the critical region. The physical reason to develop such approach is the revealed collapse of all low-temperature isotherms onto the single universal one argued by the model of fluctuational thermodynamics (FT proposed recently by author. The pressure reduced by the molecular parameters of the effective short-range Lennard-Jones (LJ potential depends here only on the reduced density. To demonstrate the extraordinary predictive abilities of the developed low-temperature scaling model it has been applied to the prediction of equilibrium and transport (kinetic and dynamic viscosity, self-diffusion, and thermal conductivity properties not only for molecular liquids but also for molten organic salts termed ionic liquids (ILs. The best argument in favor of the proposed methodology is the appropriate consistency with the scarce experiments prediction of transport coefficients for ILs on the base of universal scaling function constructed for the simplest LJ-like liquid argon. The only input data of any substance for prediction are the linear approximations of T-dependent density and isobaric heat capacity taken from the standard measurements at atmospheric pressure.

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

    Science.gov (United States)

    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.

  10. Size asymmetric hard spheres as a convenient model for the capacitance of the electrical double layer of an ionic liquid.

    Science.gov (United States)

    Lamperski, Stanisław; Sosnowska, Joanna; Bhuiyan, Lutful Bari; Henderson, Douglas

    2014-01-07

    Even though ionic liquids are composed of nonspherical ions, it is shown here that the general features of the capacitance of an electrical double layer can be obtained using a charged hard sphere model. We have shown in our earlier studies that at high electrolyte concentrations or large magnitudes of the electrode charge density the fact that the ions have a finite size, and are not point ions, cause the capacitance near the potential of zero charge to increase and change from a minimum to a maximum as the ionic concentration is increased and to decrease as the magnitude of the electrode charge density increases. Here, we show that the asymmetry of the capacitance of an ionic liquid can be explained qualitatively by using spherical ions of different size without attempting to introduce the ionic shape in a detailed manner. This means that the general features of the capacitance of the double layer of an ionic liquid can be studied without using a complex model, although the study of the density or charge profiles of an ionic fluid would require one. However, this is often unnecessary in the analysis of many experiments.

  11. Lipid processing in ionic liquids

    DEFF Research Database (Denmark)

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

    2007-01-01

    Ionic liquids (ILs) have been touted as “green” alternatives to traditional molecular solvents and have many unique properties which make them extremely desirable substitutes. Among their most attractive properties are their lack of vapour pressure, broad liquid range, strong solvating power...

  12. Measurement of activity coefficients at infinite dilution for hydrocarbons in imidazolium-based ionic liquids and QSPR model

    Institute of Scientific and Technical Information of China (English)

    ZHU Jiqin; YU Yanmei; CHEN Jian; FEI Weiyang

    2007-01-01

    The separations of olefin/paraffin,aromatic/aliphatic hydrocarbons or olefin isomers using ionic liquids instead of volatile solvents have interested many researchers.Activity coefficients γ∞ at infinite dilution of a solute in ionic liquid are generally used in the selection of solvents for extraction or extractive distillation.In fact,the measurement of γ∞ by gas-liquid chromatography is a speedy and costsaving method.Activity coefficients at infinite dilution of hydrocarbon solutes,such as alkanes,hexenes,alkylbenzenes,styrene,in 1-allyl-3-methylimidazolium tetrafluoroborate ([AMIM][BF4]) and 1-butyl-3-methyl imidazolium hexafluorophosphate ([BMIM][PF6]), 1-isobutenyl-3-methylimidazolium tetrafluoroborate ([MPMIM][BF4]) and [MPMIM][BF4]-AgBF4 have been determined by gas-liquid chromatography using ionic liquids as stationary phase.The measurements were carried out at different temperatures from 298 to 318 K.The separating effects of these ionic liquids for alkanes/hexane,aliphatic hydrocarbons/benzene and hexene isomers have been discussed.The hydrophobic parameter,dipole element,frontier molecular orbital energy gap and hydration energy of these hydrocarbons were calculated with the PM3 semi-empirical quantum chemistry method.The quantitative relations among the computed structure parameters and activity coefficients at infinite dilution were also developed.The experimental activity coefficient data are consistent with the correlated and predicted results using QSPR models.

  13. Recrystallized quinolinium ionic liquids for electrochemical analysis

    Science.gov (United States)

    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.

  14. Self-interaction error in DFT-based modelling of ionic liquids.

    Science.gov (United States)

    Lage-Estebanez, Isabel; Ruzanov, Anton; García de la Vega, José M; Fedorov, Maxim V; Ivaništšev, Vladislav B

    2016-01-21

    The modern computer simulations of potential green solvents of the future, involving the room temperature ionic liquids, heavily rely on density functional theory (DFT). In order to verify the appropriateness of the common DFT methods, we have investigated the effect of the self-interaction error (SIE) on the results of DFT calculations for 24 ionic pairs and 48 ionic associates. The magnitude of the SIE is up to 40 kJ mol(-1) depending on the anion choice. Most strongly the SIE influences the calculation results of ionic associates that contain halide anions. For these associates, the range-separated density functionals suppress the SIE; for other cases, the revPBE density functional with dispersion correction and triple-ζ Slater-type basis is suitable for computationally inexpensive and reasonably accurate DFT calculations.

  15. In situ spectroscopic investigation of the cobalt-catalyzed oxidation of lignin model compounds in ionic liquids

    NARCIS (Netherlands)

    Zakzeski, J.; Bruijnincx, P.C.A.; Weckhuysen, B.M.

    2011-01-01

    The cobalt-catalyzed oxidation of lignin and lignin model compounds using molecular oxygen in ionic liquids proceeds readily under mild conditions, but mechanistic insight and evidence for the species involved in the catalytic cycle is lacking. In this study, a spectroscopic investigation of the com

  16. Modeling vapor liquid equilibrium of ionic liquids + gas binary systems at high pressure with cubic equations of state

    Directory of Open Access Journals (Sweden)

    A. C. D. Freitas

    2013-03-01

    Full Text Available Ionic liquids (IL have been described as novel environmentally benign solvents because of their remarkable characteristics. Numerous applications of these solvents continue to grow at an exponential rate. In this work, high pressure vapor liquid equilibria for 17 different IL + gas binary systems were modeled at different temperatures with Peng-Robinson (PR and Soave-Redlich-Kwong (SRK equations of state, combined with the van der Waals mixing rule with two binary interaction parameters (vdW-2. The experimental data were taken from the literature. The optimum binary interaction parameters were estimated by minimization of an objective function based on the average absolute relative deviation of liquid and vapor phases, using the modified Simplex algorithm. The solubilities of all gases studied in this work decrease as the temperature increases and increase with increasing pressure. The correlated results were highly satisfactory, with average absolute relative deviations of 2.10% and 2.25% for PR-vdW-2 and SRK-vdW-2, respectively.

  17. Transition metal catalyzed oxidation of Alcell lignin, soda lignin, and lignin model compounds in ionic liquids

    NARCIS (Netherlands)

    Zakzeski, J.|info:eu-repo/dai/nl/326160256; Jongerius, A.L.|info:eu-repo/dai/nl/325840202; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2013-01-01

    Lignin is a component of lignocellulosic biomass from which important aromatic compounds can potentially be obtained. In the present work, Alcell and soda lignin were dissolved in the ionic liquid 1-ethyl-3-methylimidazolium diethylphosphate (EMIM DEP) and subsequently oxidized using several transit

  18. Transition metal catalyzed oxidation of Alcell lignin, soda lignin, and lignin model compounds in ionic liquids

    NARCIS (Netherlands)

    Zakzeski, J.|info:eu-repo/dai/nl/326160256; Jongerius, A.L.|info:eu-repo/dai/nl/325840202; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2013-01-01

    Lignin is a component of lignocellulosic biomass from which important aromatic compounds can potentially be obtained. In the present work, Alcell and soda lignin were dissolved in the ionic liquid 1-ethyl-3-methylimidazolium diethylphosphate (EMIM DEP) and subsequently oxidized using several

  19. Phase equilibria and modeling of ammonium ionic liquid, C2NTf2, solutions.

    Science.gov (United States)

    Domańska, Urszula; Marciniak, Andrzej; Królikowski, Marek

    2008-01-31

    Novel quaternary ammonium ionic liquid, ethyl(2-hydroxyethyl)dimethylammonium bis(trifluomethylsulfonyl)imide (C2NTf2), has been prepared from N,N-dimethylethanolamine as a substrate. The paper includes a specific basic characterization of the synthesized compound by NMR and the basic thermophysical properties: the melting point, enthalpy of fusion, enthalpy of solid-solid phase transition, glass transition determined by the differential scanning calorimetry (DSC), temperature of decomposition, and water content. The density of the new compound was measured. The solid-liquid or liquid-liquid phase equilibria of binary mixtures containing {C2NTf2+water or an alcohol (propan-1-ol, butan-1-ol, hexan-1-ol, octan-1-ol, decan-1-ol), aromatic hydrocarbons (benzene, toluene), aliphatic hydrocarbons (n-hexane, n-octane), dimethylsulfoxide (DMSO), or tetrahydrofuran (THF)} have been measured by a dynamic method in a wide range of temperatures from 230 to 430 K. These data were correlated by means of the nonrandom two-liquid (NRTL) equation utilizing temperature-dependent parameters derived from the solid-liquid or liquid-liquid equilibrium. From the solubility results, the negative value of the partition coefficient of ionic liquid in binary system octan-1-ol/water (log P) at 298.15 K has been calculated.

  20. Modeling p VT Properties and Vapor-Liquid Equilibrium of Ionic Liquids Using Cubic-plus-association Equation of State

    Institute of Scientific and Technical Information of China (English)

    马俊; 李进龙; 范冬福; 彭昌军; 刘洪来; 胡英

    2011-01-01

    Combining Peng-Robinson (PR) equation of state (EoS) with an association model derived from shield-sticky method (SSM) by Liu et al., a new cubic-plus-association (CPA) EoS is proposed to describe the ther-modynamic properties of pure ionic liquids (ILs) and their mixtures. The new molecular parameters for 25 ILs are obtained by fitting the experimental density data over a wide temperature and pressure range, and the overall aver-age deviation is 0.22%. The model parameter b for homologous ILs shows a good linear relationship with their mo-lecular mass, so the number of model parameters is reduced effectively. Using one temperature-independent binary adjustable parameter kij, satisfactory correlations of vapor-liquid equilibria (VLE) for binary mixtures of ILs + non-associating solvents and + associating solvents are obtained with the overall average deviation of vapor pressure 2.91% and 7.01%, respectively. In addition, VLE results for ILs + non-associating mixtures from CPA, lattice-fluid (LF) and square-well chain fluids with variable range (SWCF-VR) EoSs are compared.

  1. Surface tension of ionic liquids and ionic liquid solutions.

    Science.gov (United States)

    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).

  2. Liquid-liquid phase separation in solutions of ionic liquids: phase diagrams, corresponding state analysis and comparison with simulations of the primitive model

    Energy Technology Data Exchange (ETDEWEB)

    Schroeer, W; Vale, V R, E-mail: schroer@uni-bremen.d [Institut fuer Anorganische und Physikalische Chemie, Fachbereich Biologie-Chemie, Universitaet Bremen, D-28359 Bremen (Germany)

    2009-10-21

    Phase diagrams of ionic solutions of the ionic liquid C{sub 18}mim{sup +}NTF{sub 2}{sup -} (1-n-octadecyl-3-methyl imidazolium bistrifluormethylsulfonylimide) in decalin, cyclohexane and methylcyclohexane are reported and compared with that of solutions of other imidazolium ionic liquids with the anions NTF{sub 2}{sup -}, Cl{sup -} and BF4{sup -} in arenes, CCl{sub 4}, alcohols and water. The phase diagrams are analysed presuming Ising criticality and taking into account the asymmetry of the phase diagrams. The resulting parameters are compared with simulation results for equal-sized charged hard spheres in a dielectric continuum, the restricted primitive model (RPM) and the primitive model (PM) that allows for ions of different size. In the RPM temperature scale the critical temperatures vary almost linearly with the dielectric permittivity of the solvent. The RPM critical temperatures of the solutions in non-polar solvents are very similar, somewhat below the RPM value. Correlations with the boiling temperatures of the solvents and a dependence on the length of the side chain of the imidazolium cations show that dispersion interactions modify the phase transition, which is mainly determined by Coulomb forces. Critical concentrations, widths of the phase diagrams and the slopes of the diameter are different for the solutions in protic and aprotic solvents. The phase diagrams of the solutions in alcohols and water get a lower critical solution point when represented in RPM variables.

  3. Liquid-liquid phase separation in solutions of ionic liquids: phase diagrams, corresponding state analysis and comparison with simulations of the primitive model.

    Science.gov (United States)

    Schröer, W; Vale, V R

    2009-10-21

    Phase diagrams of ionic solutions of the ionic liquid C(18)mim(+)NTF(2)(-) (1-n-octadecyl-3-methyl imidazolium bistrifluormethylsulfonylimide) in decalin, cyclohexane and methylcyclohexane are reported and compared with that of solutions of other imidazolium ionic liquids with the anions NTF(2)(-), Cl(-) and BF4(-) in arenes, CCl(4), alcohols and water. The phase diagrams are analysed presuming Ising criticality and taking into account the asymmetry of the phase diagrams. The resulting parameters are compared with simulation results for equal-sized charged hard spheres in a dielectric continuum, the restricted primitive model (RPM) and the primitive model (PM) that allows for ions of different size. In the RPM temperature scale the critical temperatures vary almost linearly with the dielectric permittivity of the solvent. The RPM critical temperatures of the solutions in non-polar solvents are very similar, somewhat below the RPM value. Correlations with the boiling temperatures of the solvents and a dependence on the length of the side chain of the imidazolium cations show that dispersion interactions modify the phase transition, which is mainly determined by Coulomb forces. Critical concentrations, widths of the phase diagrams and the slopes of the diameter are different for the solutions in protic and aprotic solvents. The phase diagrams of the solutions in alcohols and water get a lower critical solution point when represented in RPM variables.

  4. Structure of room temperature ionic liquids

    Science.gov (United States)

    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.

  5. Selective Extraction of Bioproducts by Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    王键吉; 裴渊超; 赵扬; 张锁江

    2005-01-01

    Imidazolium based room temperature ionic liquids have been used to extract selectively L-tryptophan from fermentation broth. BF4 anion was found to enhance dramatically the partitioning of L-tryptophan into ionic liquid phase from aqueous solutions.

  6. Externally Wetted Ionic Liquid Thruster

    Science.gov (United States)

    Lozano, P.; Martinez-Sanchez, M.; Lopez-Urdiales, J. M.

    2004-10-01

    This paper presents initial developments of an electric propulsion system based on ionic liquid ion sources (ILIS). Propellants are ionic liquids, which are organic salts with two important characteristics; they remain in the liquid state at room temperature and have negligible vapor pressure, thus allowing their use in vacuum. The working principles of ILIS are similar to those of liquid metal ion sources (LMIS), in which a Taylor cone is electrostatically formed at the tip of an externally wetted needle while ions are emitted directly from its apex. ILIS have the advantage of being able to produce negative ions that have similar masses than their positive counterparts with similar current levels. This opens up the possibility of achieving plume electrical neutrality without electron emitters. The possible multiplexing of these emitters is discussed in terms of achievable thrust density for applications other than micro-propulsion.

  7. "Practical" Electrospinning of Biopolymers in Ionic Liquids.

    Science.gov (United States)

    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.

  8. Nanoparticle enhanced ionic liquid heat transfer fluids

    Science.gov (United States)

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

    2014-08-12

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

  9. Gaseous Hydrocarbon Separations Using Functionalized Ionic Liquids

    OpenAIRE

    2016-01-01

    The functionalization of the side chains on the cation or the anion of an ionic liquid is a common approach to tailor its properties for different processes including the separation of gases. In this paper, we present the current state of the art concerning the usage of ionic liquids for hydrocarbon separations. We also show how the functionalization of ionic liquids or the appropriate anion/cation combinations can contribute to the increase of the performance of the ionic liquids for the sep...

  10. Accurate integral equation theory for the central force model of liquid water and ionic solutions

    Science.gov (United States)

    Ichiye, Toshiko; Haymet, A. D. J.

    1988-10-01

    The atom-atom pair correlation functions and thermodynamics of the central force model of water, introduced by Lemberg, Stillinger, and Rahman, have been calculated accurately by an integral equation method which incorporates two new developments. First, a rapid new scheme has been used to solve the Ornstein-Zernike equation. This scheme combines the renormalization methods of Allnatt, and Rossky and Friedman with an extension of the trigonometric basis-set solution of Labik and co-workers. Second, by adding approximate ``bridge'' functions to the hypernetted-chain (HNC) integral equation, we have obtained predictions for liquid water in which the hydrogen bond length and number are in good agreement with ``exact'' computer simulations of the same model force laws. In addition, for dilute ionic solutions, the ion-oxygen and ion-hydrogen coordination numbers display both the physically correct stoichiometry and good agreement with earlier simulations. These results represent a measurable improvement over both a previous HNC solution of the central force model and the ex-RISM integral equation solutions for the TIPS and other rigid molecule models of water.

  11. The hype with ionic liquids as solvents

    Science.gov (United States)

    Kunz, Werner; Häckl, Katharina

    2016-09-01

    In this mini review, we give our personal opinion about the present state of the art concerning Ionic Liquids, proposed as alternative solvents. In particular, we consider their different drawbacks and disadvantages and discuss the critical aspects of the research of Ionic Liquids as solvents. Finally, we point out some aspects on potentially promising Ionic Liquid solvents.

  12. Molecular thermodynamic modeling of ionic liquids using the perturbation-based linear Yukawa isotherm regularity

    Science.gov (United States)

    Sohrabi Mahboub, Mahdi; Farrokhpour, Hossein

    2016-06-01

    In this paper, we present the results of an extensive study on a novel approach to the molecular modeling of pure ionic liquids (ILs) that incorporates the perturbed thermodynamic linear Yukawa isotherm regularity (LYIR), which is derived based on an effective nearest neighboring pair attractive interaction of the Yukawa potential. The LYIR was used to model the densities of ILs up to high pressures (35 MPa) and in the temperature range 293.15 to 393.15 K. To use the LYIR for ILs, a simple molecular model was proposed to describe their molecular structure, in which they were considered as a liquid consisting of the ion pairs moving together in the fluid, and each ion pair was assumed to be a one-center spherical united atom. The ILs under consideration contained one of the IL cations [C2mim]+, [C4mim]+, [C7mim]+, [C8mim]+, [C3mpy]+, [C3mpip]+, [C3mpyr]+ or [C4mpyr]+, and one of the IL anions [BF4]-, [C(CN)3]-, [CF3SO4]- or [NTf2]-. The reliability and physical significance of the parameters as well as the proposed molecular model were tested by calculating the densities of pure imidazolium-, pyridinium-, piperidinium- and pyrrolidimium-based ILs. The results showed that the LYIR can be used to predict and reproduce the density of ILs in good agreement with the experimental data. In addition, the LYIR enabled us to determine the physical quantities, such as an effective Yukawa screening length, λ eff, the product of the effective energy well depth and the effective coordination number, (ɛ eff/k)z eff, the contribution of the non-reference thermal pressure and also the influence of the anionic and cationic structure on the λ eff parameter. The standard deviation of the IL densities predicted in this work is lower than those calculated by the one other important equation of state reported in the literature.

  13. The liquid-vapour interface of the restricted primitive model (RPM) of ionic fluids

    Science.gov (United States)

    Weiss, Volker C.; Schröer, Wolffram

    2000-03-01

    The liquid-vapour interface of the restricted primitive model (RPM) of ionic fluids is investigated within a square-gradient theory. We compute density profiles and interfacial tensions for different temperatures using Debye-Hückel (DH) theory and its recent extension for ion-pair formation and interactions between the dipolar ion pairs and free ions developed by Fisher and Levin. This Fisher-Levin (FL) theory is known to give an accurate description of the coexistence curve of the RPM. To account for the inhomogeneities in the interfacial region, the local free-energy density is expanded in terms of the density gradient. For small gradients, e.g. reasonably close to the critical point, such an expansion can be truncated after the square-gradient term. The coefficient of the latter is calculated from the direct correlation function using an approximate (quadratic) hypernetted-chain (AHNC) relation and, alternatively, from an extended van der Waals approach in conjunction with different approximations to the local density. The results from the AHNC relation and various local density approximations in the thermodynamic framework of DH theory and FL theory, respectively, are compared, and it is asserted that the AHNC relation in conjunction with FL theory predicts reliably the interfacial properties of the RPM even within this simple square-gradient theory. In contrast to the situation for simple fluids, the local density approximation must be chosen carefully for ionic fluids since properties such as the interfacial thickness and the surface tension may vary by a factor of three or four depending on the applied local density approximation.

  14. Correlation of three-liquid-phase equilibria involving ionic liquids.

    Science.gov (United States)

    Rodríguez-Escontrela, I; Arce, A; Soto, A; Marcilla, A; Olaya, M M; Reyes-Labarta, J A

    2016-08-03

    The difficulty in achieving a good thermodynamic description of phase equilibria is finding a model that can be extended to a large variety of chemical families and conditions. This problem worsens in the case of systems containing more than two phases or involving complex compounds such as ionic liquids. However, there are interesting applications that involve multiphasic systems, and the promising features of ionic liquids suggest that they will play an important role in many future processes. In this work, for the first time, the simultaneous correlation of liquid-liquid and liquid-liquid-liquid equilibrium data for ternary systems involving ionic liquids has been carried out. To that end, the phase diagram of the water + [P6 6 6 14][DCA] + hexane system has been determined at 298.15 K and 323.15 K and atmospheric pressure. The importance of this system lies in the possibility of using the surface active ionic liquid to improve surfactant enhanced oil recovery methods. With those and previous measurements, thirteen sets of equilibrium data for water + ionic liquid + oil ternary systems have been correlated. The isoactivity equilibrium condition, using the NRTL model, and some pivotal strategies are proposed to correlate these complex systems. Good agreement has been found between experimental and calculated data in all the regions (one triphasic and two biphasic) of the diagrams. The geometric aspects related to the Gibbs energy of mixing function obtained using the model, together with the minor common tangent plane equilibrium condition, are valuable tools to check the consistency of the obtained correlation results.

  15. Nanoparticles in ionic liquids: interactions and organization.

    Science.gov (United States)

    He, Zhiqi; Alexandridis, Paschalis

    2015-07-28

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

  16. Cloud point phenomena for POE-type nonionic surfactants in a model room temperature ionic liquid.

    Science.gov (United States)

    Inoue, Tohru; Misono, Takeshi

    2008-10-15

    The cloud point phenomenon has been investigated for the solutions of polyoxyethylene (POE)-type nonionic surfactants (C(12)E(5), C(12)E(6), C(12)E(7), C(10)E(6), and C(14)E(6)) in 1-butyl-3-methylimidazolium tetrafluoroborate (bmimBF(4)), a typical room temperature ionic liquid (RTIL). The cloud point, T(c), increases with the elongation of the POE chain, while decreases with the increase in the hydrocarbon chain length. This demonstrates that the solvophilicity/solvophobicity of the surfactants in RTIL comes from POE chain/hydrocarbon chain. When compared with an aqueous system, the chain length dependence of T(c) is larger for the RTIL system regarding both POE and hydrocarbon chains; in particular, hydrocarbon chain length affects T(c) much more strongly in the RTIL system than in equivalent aqueous systems. In a similar fashion to the much-studied aqueous systems, the micellar growth is also observed in this RTIL solvent as the temperature approaches T(c). The cloud point curves have been analyzed using a Flory-Huggins-type model based on phase separation in polymer solutions.

  17. A Spectral-SAR Model for the Anionic-Cationic Interaction in Ionic Liquids: Application to Vibrio fischeri Ecotoxicity

    Directory of Open Access Journals (Sweden)

    Vasile Ostafe

    2007-08-01

    Full Text Available Within the recently launched the spectral-structure activity relationship (S-SARanalysis, the vectorial anionic-cationic model of a generic ionic liquid is proposed, alongwith the associated algebraic correlation factor in terms of the measured and predictedactivity norms. The reliability of the present scheme is tested by assessing the Hanschfactors, i.e. lipophylicity, polarizability and total energy, to predict the ecotoxicityendpoints of wide types of ionic liquids with ammonium, pyridinium, phosphonium,choline and imidazolium cations on the aquatic bacteria Vibrio fischeri. The results, whileconfirming the cationic dominant influence when only lipophylicity is considered,demonstrate that the anionic effect dominates all other more specific interactions. It wasalso proved that the S-SAR vectorial model predicts considerably higher activity for theionic liquids than for its anionic and cationic subsystems separately, in all consideredcases. Moreover, through applying the least norm-correlation path principle, the completetoxicological hierarchies are presented, unfolding the ecological rules of combined cationicand anionic influences in ionic liquid toxicity.

  18. Thermodynamic characterization of the biocompatible ionic liquid effects on protein model compounds and their functional groups.

    Science.gov (United States)

    Attri, Pankaj; Venkatesu, Pannuru

    2011-04-14

    The stability of proteins under co-solvent conditions is dependant on the nature of the co-solvent; the co-solvent can alter a protein's properties and structural effects through bimolecular interactions between its functional groups and co-solvent particles. Ionic liquids (ILs) represent a rather diverse class of co-solvents that are combinations of different ions, which are liquids at or close to room temperature. To quantify the bimolecular interactions of protein functional groups with biocompatible ILs, we report the systematic and quantitative apparent transfer free energies (ΔG'(tr)) of a homologous series of cyclic dipeptides (CDs) from water to aqueous solutions of ILs through solubility measurements, as a function of IL concentration at 25 °C under atmospheric pressure. The materials investigated in the present work included the CDs of cyclo(Gly-Gly), cyclo(Ala-Gly), cyclo(Ala-Ala), cyclo(Leu-Ala), and cyclo(Val-Val). The ILs used such as diethylammonium acetate ([Et(2)NH][CH(3)COO], DEAA), triethylammonium acetate ([Et(3)NH][CH(3)COO], TEAA), diethylammonium dihydogen phosphate ([Et(3)NH][H(2)PO(4)], DEAP), triethylammonium dihydogen phosphate ([Et(3)NH][H(2)PO(4)], TEAP), diethylammonium sulfate ([Et(3)NH][HSO(4)], DEAS) and triethylammonium sulfate ([Et(3)NH][HSO(4)], TEAS). We observed positive values of ΔG'(tr) for CDs from water to ILs, indicating that interactions between ILs and CDs are unfavourable, which leads to stabilization of the native structure of CDs. The experimental results were further used for estimating the transfer free energies (Δg'(tr)) of the peptide bond (-CONH-), the peptide backbone unit (-CH(2)C=ONH-), and various functional groups from water to IL solutions. Our results explicitly elucidate that a series of all ammonium ILs act as stabilizers for tested model compounds through the exclusion of ILs from CDs surface.

  19. Density and molar volumes of imidazolium-based ionic liquid mixtures and prediction by the Jouyban-Acree model

    Science.gov (United States)

    Ghani, Noraini Abd; Sairi, Nor Asrina; Mat, Ahmad Nazeer Che; Khoubnasabjafari, Mehry; Jouyban, Abolghasem

    2016-11-01

    The density of imidazolium-based ionic liquid, 1-ethyl-3-methylimidazolium diethylphosphate with sulfolane were measured at atmospheric pressure. The experiments were performed at T= (293 - 343) K over the complete mole fractions. Physical and thermodynamic properties such as molar volumes, V0, and excess molar volumes, VE for this binary mixtures were derived from the experimental density data. The Jouyban-Acree model was exploited to correlate the physicochemical properties (PCPs) of binary mixtures at various mole fractions and temperatures.

  20. Electrical charging effects on the sliding friction of a model nano-confined ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Capozza, R.; Vanossi, A. [International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste (Italy); CNR-IOM Democritos National Simulation Center, Via Bonomea 265, 34136 Trieste (Italy); Benassi, A. [CNR-IOM Democritos National Simulation Center, Via Bonomea 265, 34136 Trieste (Italy); Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062 Dresden (Germany); Tosatti, E. [International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste (Italy); CNR-IOM Democritos National Simulation Center, Via Bonomea 265, 34136 Trieste (Italy); International Centre for Theoretical Physics (ICTP), Strada Costiera 11, 34014 Trieste (Italy)

    2015-10-14

    Recent measurements suggest the possibility to exploit ionic liquids (ILs) as smart lubricants for nano-contacts, tuning their tribological and rheological properties by charging the sliding interfaces. Following our earlier theoretical study of charging effects on nanoscale confinement and squeezout of a model IL, we present here molecular dynamics simulations of the frictional and lubrication properties of that model under charging conditions. First, we describe the case when two equally charged plates slide while being held together to a confinement distance of a few molecular layers. The shear sliding stress is found to rise strongly and discontinuously as the number of IL layers decreases stepwise. However, the shear stress shows, within each given number of layers, only a weak dependence upon the precise value of the normal load, a result in agreement with data extracted from recent experiments. We subsequently describe the case of opposite charging of the sliding plates and follow the shear stress when the charging is slowly and adiabatically reversed in the course of time, under fixed load. Despite the fixed load, the number and structure of the confined IL layers change with changing charge, and that in turn drives strong friction variations. The latter involves first of all charging-induced freezing of the IL film, followed by a discharging-induced melting, both made possible by the nanoscale confinement. Another mechanism for charging-induced frictional changes is a shift of the plane of maximum shear from mid-film to the plate-film interface, and vice versa. While these occurrences and results invariably depend upon the parameters of the model IL and upon its specific interaction with the plates, the present study helps identifying a variety of possible behavior, obtained under very simple assumptions, while connecting it to an underlying equilibrium thermodynamics picture.

  1. Electrical charging effects on the sliding friction of a model nano-confined ionic liquid

    Science.gov (United States)

    Capozza, R.; Benassi, A.; Vanossi, A.; Tosatti, E.

    2015-10-01

    Recent measurements suggest the possibility to exploit ionic liquids (ILs) as smart lubricants for nano-contacts, tuning their tribological and rheological properties by charging the sliding interfaces. Following our earlier theoretical study of charging effects on nanoscale confinement and squeezout of a model IL, we present here molecular dynamics simulations of the frictional and lubrication properties of that model under charging conditions. First, we describe the case when two equally charged plates slide while being held together to a confinement distance of a few molecular layers. The shear sliding stress is found to rise strongly and discontinuously as the number of IL layers decreases stepwise. However, the shear stress shows, within each given number of layers, only a weak dependence upon the precise value of the normal load, a result in agreement with data extracted from recent experiments. We subsequently describe the case of opposite charging of the sliding plates and follow the shear stress when the charging is slowly and adiabatically reversed in the course of time, under fixed load. Despite the fixed load, the number and structure of the confined IL layers change with changing charge, and that in turn drives strong friction variations. The latter involves first of all charging-induced freezing of the IL film, followed by a discharging-induced melting, both made possible by the nanoscale confinement. Another mechanism for charging-induced frictional changes is a shift of the plane of maximum shear from mid-film to the plate-film interface, and vice versa. While these occurrences and results invariably depend upon the parameters of the model IL and upon its specific interaction with the plates, the present study helps identifying a variety of possible behavior, obtained under very simple assumptions, while connecting it to an underlying equilibrium thermodynamics picture.

  2. On the Chemical Stabilities of Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Yen-Ho Chu

    2009-09-01

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

  3. Phase equilibria and modeling of pyridinium-based ionic liquid solutions.

    Science.gov (United States)

    Domańska, Urszula; Królikowski, Marek; Ramjugernath, Deresh; Letcher, Trevor M; Tumba, Kaniki

    2010-11-25

    The phase diagrams of the ionic liquid (IL) N-butyl-4-methylpyridinium bis{(trifluoromethyl)sulfonyl}imide ([BM(4)Py][NTf(2)]) with water, an alcohol (1-butanol, 1-hexanol, 1-octanol, 1-decanol), an aromatic hydrocarbon (benzene, toluene, ethylbenzene, n-propylbenzene), an alkane (n-hexane, n-heptane, n-octane), or cyclohexane have been measured at atmospheric pressure using a dynamic method. This work includes the characterization of the synthesized compound by water content and also by differential scanning calorimetry. Phase diagrams for the binary systems of [BM(4)Py][NTf(2)] with all solvents reveal eutectic systems with regards to (solid-liquid) phase equilibria and show immiscibility in the liquid phase region with an upper critical solution temperature (UCST) in most of the mixtures. The phase equilibria (solid, or liquid-liquid) for the binary systems containing aliphatic hydrocarbons reported here exhibit the lowest solubility and the highest immiscibility gap, a trend which has been observed for all ILs. The reduction of experimental data has been carried out using the nonrandom two-liquid (NRTL) correlation equation. The phase diagrams reported here have been compared with analogous phase diagrams reported previously for systems containing the IL N-butyl-4-methylpyridinium tosylate and other pyridinium-based ILs. The influence of the anion of the IL on the phase behavior has been discussed.

  4. Ionic Liquids to Replace Hydrazine

    Science.gov (United States)

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

    2011-01-01

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

  5. Application of empirical ionic models to SiO 2 liquid: Potential model approximations and integration of SiO 2 polymorph data

    Science.gov (United States)

    Erikson, Robert L.; Hostetler, Charles J.

    1987-05-01

    Structural and thermodynamic properties of crystalline SiO 2 and SiO 2 liquid have been examined with Monte Carlo (MC), molecular dynamics (MD), and energy minimization (EM) calculations using several ionic potential models obtained from the literature. The MC and MD methods calculate the same structural and thermodynamic properties for liquids when the same potential model is used. The Ewald (1921) method of calculating coulomb interactions reproduced most successfully the structure of liquid silica. Approximating the coulomb interaction by eliminating the inverse lattice sum results in predicted bond distances that are too short and an average angle of approximately 180°. Introduction of a cut-off in the potential energy function produces irregular tetrahedra and inconsistencies in predicted Si-O coordination in silica liquid. The system internal energies show that liquid structures derived from random starting configurations can be metastable relative to structures calculated from crystalline starting configurations. The static lattice properties of the polymorphs alpha-quartz, coesite, and stishovite were used to evaluate further the accuracy of different sets of repulsive parameters for the full Ewald ionic model. Most of the models studied reproduced poorly the measured structures and elastic constants of the polymorphs. The major weakness of the ionic model is the unreasonably large Si-O bond strength (120 × 10 -12 ergs/bond) when formal ionic charges are used. Fractional charge models with a small Si-O bond strength (30 × 10 -12 ergs/bond) improve the agreement with experimental data. However, further improvement of the ionic model should include reducing the Si-O bond strength to values in better agreement with published estimates (7 × 10 - 12 to 13 × 10 -12 ergs/bond). By using additional information to constrain the parameterization of the ionic model, such as estimated bond strengths and static properties of the silica polymorphs, a model more

  6. Supported Ionic Liquid Phase (SILP) catalysis

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco;

    2006-01-01

    Applications of ionic liquids to replace conventional solvents in homogeneous transition-metal catalysis have increased significantly during the last decade. Biphasic ionic liquid/organic liquid systems offer advantages with regard to product separation, catalyst stability, and recycling but util...

  7. Ionic Liquids: Just Molten Salts After All?

    Directory of Open Access Journals (Sweden)

    Anna K. Croft

    2009-07-01

    Full Text Available While there has been much effort in recent years to characterise ionic liquids in terms of parameters that are well described for molecular solvents, using these to explain reaction outcomes remains problematic. Herein we propose that many reaction outcomes in ionic liquids may be explained by considering the electrostatic interactions present in the solution; that is, by recognising that ionic liquids are salts. This is supported by evidence in the literature, along with studies presented here.

  8. Tailor-made ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Jork, C. [Technische Universitaet Berlin, Strasse des 17. Juni 135, Institut fuer Verfahrenstechnik, Fachgebiet Thermodynamik und Thermische Verfahrenstechnik, 10623 Berlin (Germany); Kristen, C. [Technische Universitaet Berlin, Strasse des 17. Juni 135, Institut fuer Verfahrenstechnik, Fachgebiet Thermodynamik und Thermische Verfahrenstechnik, 10623 Berlin (Germany); Pieraccini, D. [University of Pisa, Dipartimento di Chimica Bioorganica e Biofarmacia, via Bonanno 33, 56126 Pisa (Italy); Stark, A. [Friedrich-Schiller-Universitaet Jena, Institut fuer Technische Chemie und Umweltchemie, Lessingstrasse 12, 07743 Jena (Germany); Chiappe, C. [University of Pisa, Dipartimento di Chimica Bioorganica e Biofarmacia, via Bonanno 33, 56126 Pisa (Italy); Beste, Y.A. [BASF AG, GCT/A-L540, 67056 Ludwigshafen (Germany); Arlt, W. [Universitaet Erlangen/Nuernberg, Lehrstuhl fuer Thermische Verfahrenstechnik, Egerlandstrasse 3, 91058 Erlangen (Germany)]. E-mail: wolfgang.arlt@cbi.uni-erlangen.de

    2005-06-15

    This article presents a first consequent thermodynamic optimization of ionic liquids (IL) as entrainers in the distillative separation of both an azeotropic aqueous (tetrahydrofuran + water) and a close-boiling aromatic test system (methylcyclohexane + toluene) on the basis of COSMO-RS predictions. The use of this method allows for the preselection from the large pool of available IL. Thus, favorable structural variations were identified and used for tailoring IL entrainers. For the prediction of activity coefficients with COSMO-RS, the use of different conformations of the components, derived from conformational analyses, leads to varying results. The simulations showed that the influence of conformations of the volatile components and the ionic liquids depends largely on the type of the phase equilibrium, which is investigated. The approach to tailor ionic liquids as additives for separation science starts with the prediction of the activity coefficients at infinite dilution. The simulation indicated that a higher degree of branching or longer alkyl substituents on the cation, as well as a low nucleophilicity of the anion decreases both selectivity and capacity in the polar test mixture. However, COSMO-RS calculations for the non-polar mixture showed that the selection of an entrainer for this system is more complicated, because - contrarily to (tetrahydrofuran + water) - structural variations of the IL entrainer cause converse changes in selectivity and capacity: while the selectivity for toluene increases with a lower degree of branching and a shorter alkyl substituent of the cation as well as with a lower nucleophilicity of the anion, these properties decrease the capacity. In this work, the most favorable IL entrainers were synthesized and the separation factors of the test systems were experimentally validated at finite dilution.

  9. Improved Ionic Liquids as Space Lubricants Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Ionic liquids are candidate lubricant materials. However for application in low temperature space mechanisms their lubrication performance needs to be enhanced. UES...

  10. Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid: Comparison of different solvent models.

    Science.gov (United States)

    Chevrot, G; Schurhammer, R; Wipff, G

    2006-09-28

    We report a Molecular Dynamics (MD) study of the interface between water and the hygroscopic room temperature Ionic Liquid "IL" [BMI][PF6] (1-butyl-3-methyl-imidazolium hexafluorophosphate), comparing the TIP3P, SPC/E and TIP5P models for water and two IL models where the ions are +/-1 or +/-0.9 charged. A recent MD study (A. Chaumont, R. Schurhammer and G. Wipff, J. Phys. Chem. B, 2005, 109, 18964) showed that using TIP3P water in conjunction with the IL(+/-1) model led to water-IL mixing without forming an interface, whereas a biphasic system could be obtained with the IL(+/-0.9) model. With the TIP5P and SPC/E models, the juxtaposed aqueous and IL phases are found to remain distinct for at least 20 ns. The resulting IL humidity, exaggerated with the IL(+/-1) model, is in better agreement with experiment using the IL(+/-0.9) model. We also report demixing simulations on the "randomly mixed" liquids, using the IL(+/-0.9) model for the ionic liquid. With the three tested water models, the phases separate very slowly ( approximately 20 ns or more) compared to "classical" chloroform-water mixtures (less than 1 ns), leading to biphasic systems similar to those obtained after equilibration of the juxtaposed liquids. The characteristics of the interface (size, polarity, ion orientation, electrostatic potential) are compared with the different models. Possible reasons why, among the three tested water models, the widely-used TIP3P model exaggerates the inter-solvent mixing, are analyzed. The difficulty in computationally and experimentally equilibrating water-IL mixtures is attributed to the slow dynamics and micro-heterogeneity of the IL and to the different states of water in the IL phase.

  11. Ionic-Liquid-Tethered Nanoparticles: Hybrid Electrolytes

    KAUST Repository

    Moganty, Surya S.

    2010-10-22

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

  12. Quantized friction across ionic liquid thin films

    Science.gov (United States)

    Smith, Alexander M.; Lovelock, Kevin R. J.; Gosvami, Nitya Nand; Welton, Tom; Perkin, Susan

    Ionic liquids, salts in the liquid state under ambient conditions, are of great interest as precision lubricants. Ionic liquids form layered structures at surfaces, yet it is not clear how this nano-structure relates to their lubrication properties. We measured the friction force between atomically smooth solid surfaces across ionic liquid films of controlled thickness in terms of the number of ion layers. Multiple friction-load regimes emerge, each corresponding to a different number of ion layers in the film. In contrast to molecular liquids, the friction coefficients differ for each layer due to their varying composition.

  13. Quantized friction across ionic liquid thin films.

    Science.gov (United States)

    Smith, Alexander M; Lovelock, Kevin R J; Gosvami, Nitya Nand; Welton, Tom; Perkin, Susan

    2013-10-07

    Ionic liquids - salts in the liquid state under ambient conditions - are of great interest as precision lubricants. Ionic liquids form layered structures at surfaces, yet it is not clear how this nano-structure relates to their lubrication properties. We measured the friction force between atomically smooth solid surfaces across ionic liquid films of controlled thickness in terms of the number of ion layers. Multiple friction-load regimes emerge, each corresponding to a different number of ion layers in the film. In contrast to molecular liquids, the friction coefficients differ for each layer due to their varying composition.

  14. Engineered microorganisms having resistance to ionic liquids

    Science.gov (United States)

    Ruegg, Thomas Lawrence; Thelen, Michael P.

    2016-03-22

    The present invention provides for a method of genetically modifying microorganisms to enhance resistance to ionic liquids, host cells genetically modified in accordance with the methods, and methods of using the host cells in a reaction comprising biomass that has been pretreated with ionic liquids.

  15. Chemical and Electrochemical Studies in Ionic Liquids

    Science.gov (United States)

    1990-01-12

    Electrochemistry and Witchcraft ", Gordon Research Conference on Electrochemistry", Santa Barbara, CA, January, 1985. OR. A. Osteryoung, ’An Introduction to...Temperature Chloroaluminate Ionic Liquids: Chemistry, Electrochemistry and Witchcraft ", Chemistry Department Colloquium, University of Alabama...Tuscaloosa, Alabama, December 1, 1988. OR. A. Osteryoung, "Ambient Temperature Chloroaluminate Ionic Liquids: Chemistry, Electrochemistry and Witchcraft

  16. Facile Synthesis of Ureas in Ionic Liquid

    Institute of Scientific and Technical Information of China (English)

    Wei Xing QIAN; Feng Yang JU; Yong Min ZHANG; Wei Liang BAO

    2004-01-01

    The reaction of isocyanates with aliphatic and aromatic amines in the 1-n-butyl-3- methylimidazolium tetrafluoroborate (bmimBF4) ionic liquid in good to excellent yields is described. Due to its insolubility, the desired urea solids could be recovered by simple filtration from the ionic liquid after reaction.

  17. Base stable quaternary ammonium ionic liquids

    OpenAIRE

    Lethesh, Kallidanthiyil Chellappan; Dehaen, Wim; Binnemans, Koen

    2014-01-01

    Ionic liquids with the bis(2-ethylhexyl)dimethylammonium cation, [BEDMA]+, were prepared by a halide-free route starting from the readily available secondary amine bis(2-ethylhexyl)amine. The following anions were considered: chloride, bromide, iodide, nitrate, hydrogensulphate, dihydrogenphosphate, formate, acetate, propionate, trifluoroacetate, methyl sulphate, methanesulphonate, tosylate, isonicotinate, nicotinate and picolinate. Several of the compounds are room-temperature ionic liquids,...

  18. Gaseous Hydrocarbon Separations Using Functionalized Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Moura Leila

    2016-03-01

    Full Text Available The functionalization of the side chains on the cation or the anion of an ionic liquid is a common approach to tailor its properties for different processes including the separation of gases. In this paper, we present the current state of the art concerning the usage of ionic liquids for hydrocarbon separations. We also show how the functionalization of ionic liquids or the appropriate anion/cation combinations can contribute to the increase of the performance of the ionic liquids for the separation of gaseous hydrocarbons – either by improving the capacity of the ionic liquid to absorb a given gas or by increasing the selectivity towards a particular hydrocarbon. Original results concerning the usage of olefin-complexing metal salts of lithium (I, nickel (II and copper (II dissolved in ionic liquids for selectively absorbing light olefins are presented. It is observed that the absorption capacity of an imidazolium-based ionic liquid is doubled by the addition of a copper (II salt. This result is compared with the effect of the functionalization of the ionic liquid and the advantages and difficulties of the two approaches are analyzed.

  19. Aqueous solutions of ionic liquids: microscopic assembly

    NARCIS (Netherlands)

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

    2016-01-01

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

  20. Simultaneous Design of Ionic Liquids and Azeotropic Separation Processes

    DEFF Research Database (Denmark)

    Roughton, Brock C.; White, John; Camarda, Kyle V.;

    2011-01-01

    A methodology for the design of azeotrope separation processes using ionic liquids as entrainers is outlined. A Hildebrand solubility parameter group contribution model has been developed to screen for or design an ionic liquid entrainer that is soluble with the azeotropic components. Using...... the best candidate, vapor-liquid equilibria data is predicted using a new ionic liquid UNIFAC model that has been developed. The UNIFAC model is used to confirm the breaking of the azeotrope. The methanol-acetone azeotrope at 1 atm is used as an example. The azeotrope was predicted to break with 10 mol...... % [BMPy][BF4] added. The driving force concept is used to design an extractive distillation process that minimizes energy inputs. The methodology given can be expanded to the use of ionic liquids as entrainers in any azeotropic system of interest....

  1. Predictions of Physicochemical Properties of Ionic Liquids with DFT

    Directory of Open Access Journals (Sweden)

    Karl Karu

    2016-07-01

    Full Text Available Nowadays, density functional theory (DFT-based high-throughput computational approach is becoming more efficient and, thus, attractive for finding advanced materials for electrochemical applications. In this work, we illustrate how theoretical models, computational methods, and informatics techniques can be put together to form a simple DFT-based throughput computational workflow for predicting physicochemical properties of room-temperature ionic liquids. The developed workflow has been used for screening a set of 48 ionic pairs and for analyzing the gathered data. The predicted relative electrochemical stabilities, ionic charges and dynamic properties of the investigated ionic liquids are discussed in the light of their potential practical applications.

  2. Fast Ignition and Sustained Combustion of Ionic Liquids

    Science.gov (United States)

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

    2016-01-01

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

  3. Spectral SAR Ecotoxicology of Ionic Liquids: The Daphnia magna Case

    Directory of Open Access Journals (Sweden)

    Mihai V. Putz

    2007-01-01

    Full Text Available Aiming to provide a unified theory of ionic liquids ecotoxicity, the recent spectral structure activity relationship (S-SAR algorithm is employed for testing the two additive models of anionic-cationic interaction containing ionic liquid activity: the causal and the endpoint, |0+〉 and |1+〉 models, respectively. As a working system, the Daphnia magna ecotoxicity was characterized through the formulated and applied spectral chemical-ecobiological interaction principles. Specific anionic-cationic-ionic-liquid rules of interaction along the developed mechanistic hypersurface map of the main ecotoxicity paths together with the so-called resonance limitation of the standard statistical correlation analysis were revealed.

  4. QSTR with extended topochemical atom (ETA) indices. 16. Development of predictive classification and regression models for toxicity of ionic liquids towards Daphnia magna

    Energy Technology Data Exchange (ETDEWEB)

    Roy, Kunal, E-mail: kunalroy_in@yahoo.com; Das, Rudra Narayan

    2013-06-15

    Highlights: • Ionic liquids are not intrinsically ‘green chemicals’ and require toxicological assessment. • Predictive QSTR models have been developed for toxicity of ILs to Daphnia magna. • Simple two dimensional descriptors were used to reduce the computational burden. • Discriminant and regression based models showed appreciable predictivity and reproducibility. • The extracted features can be explored in designing novel environmentally-friendly agents. -- Abstract: Ionic liquids have been judged much with respect to their wide applicability than their considerable harmful effects towards the living ecosystem which has been observed in many instances. Hence, toxicological introspection of these chemicals by the development of predictive mathematical models can be of good help. This study presents an attempt to develop predictive classification and regression models correlating the structurally derived chemical information of a group of 62 diverse ionic liquids with their toxicity towards Daphnia magna and their interpretation. We have principally used the extended topochemical atom (ETA) indices along with various topological non-ETA and thermodynamic parameters as independent variables. The developed quantitative models have been subjected to extensive statistical tests employing multiple validation strategies from which acceptable results have been reported. The best models obtained from classification and regression studies captured necessary structural information on lipophilicity, branching pattern, electronegativity and chain length of the cationic substituents for explaining ecotoxicity of ionic liquids towards D. magna. The derived information can be successfully used to design better ionic liquid analogues acquiring the qualities of a true eco-friendly green chemical.

  5. Notre Dame Geothermal Ionic Liquids Research: Ionic Liquids for Utilization of Geothermal Energy

    Energy Technology Data Exchange (ETDEWEB)

    Brennecke, Joan F. [Univ. of Notre Dame, IN (United States)

    2017-03-07

    The goal of this project was to develop ionic liquids for two geothermal energy related applications. The first goal was to design ionic liquids as high temperature heat transfer fluids. We identified appropriate compounds based on both experiments and molecular simulations. We synthesized the new ILs, and measured their thermal stability, measured storage density, viscosity, and thermal conductivity. We found that the most promising compounds for this application are aminopyridinium bis(trifluoromethylsulfonyl)imide based ILs. We also performed some measurements of thermal stability of IL mixtures and used molecular simulations to better understand the thermal conductivity of nanofluids (i.e., mixtures of ILs and nanoparticles). We found that the mixtures do not follow ideal mixture theories and that the addition of nanoparticles to ILs may well have a beneficial influence on the thermal and transport properties of IL-based heat transfer fluids. The second goal was to use ionic liquids in geothermally driven absorption refrigeration systems. We performed copious thermodynamic measurements and modeling of ionic liquid/water systems, including modeling of the absorption refrigeration systems and the resulting coefficients of performance. We explored some IL/organic solvent mixtures as candidates for this application, both with experimentation and molecular simulations. We found that the COPs of all of the IL/water systems were higher than the conventional system – LiBr/H2O. Thus, IL/water systems appear very attractive for absorption refrigeration applications.

  6. Ionic liquids in analytical chemistry.

    Science.gov (United States)

    Soukup-Hein, Renee J; Warnke, Molly M; Armstrong, Daniel W

    2009-01-01

    The role of ionic liquids (ILs) in analytical chemistry is increasing substantially every year. A decade ago there were but a handful of papers in this area of research that were considered curiosities at best. Today, those publications are recognized as seminal articles that gave rise to one of the most rapidly expanding areas of research in chemical analysis. In this review, we briefly highlight early work involving ILs and discuss the most recent advances in separations, mass spectrometry, spectroscopy, and electroanalytical chemistry. Many of the most important advances in these fields depend on the development of new, often unique ILs and multifunctional ILs. A better understanding of the chemical and physical properties of ILs is also essential.

  7. Crowned Ionic Liquids for Biomolecular Interaction Analysis.

    Science.gov (United States)

    Tseng, Ming-Chung; Yuan, Tsu-Chun; Li, Zhuo; Chu, Yen-Ho

    2016-11-15

    On the basis of affinity recognition with positively charged side chains in peptides and proteins, a series of crowned 1,2,3-triazolium ionic liquids (CIL 1-6) was developed and found to be capable of quantitatively extracting peptides and proteins from the aqueous layer into the ionic liquid phase. All of the synthesized CIL 1-6 are liquid at room temperature. This is the first example of biomolecular recognition of both lysine- and arginine-containing peptides and proteins by CILs in pure ionic liquid phase.

  8. Adsorption Kinetics at Silica Gel/Ionic Liquid Solution Interface

    Directory of Open Access Journals (Sweden)

    Jolanta Flieger

    2015-12-01

    Full Text Available A series of imidazolium and pyridinium ionic liquids with different anions (Cl−, Br−, BF4−, PF6− has been evaluated for their adsorption activity on silica gel. Quantification of the ionic liquids has been performed by the use of RP-HPLC with organic-aqueous eluents containing an acidic buffer and a chaotropic salt. Pseudo-second order kinetic models were applied to the experimental data in order to investigate the kinetics of the adsorption process. The experimental data showed good fitting with this model, confirmed by considerably high correlation coefficients. The adsorption kinetic parameters were determined and analyzed. The relative error between the calculated and experimental amount of ionic liquid adsorbed at equilibrium was within 7%. The effect of various factors such as initial ionic liquid concentration, temperature, kind of solvent, kind of ionic liquid anion and cation on adsorption efficiency were all examined in a lab-scale study. Consequently, silica gel showed better adsorptive characteristics for imidazolium-based ionic liquids with chaotropic anions from aqueous solutions in comparison to pyridinium ionic liquids. The adsorption was found to decrease with the addition of organic solvents (methanol, acetonitrile but it was not sensitive to the change of temperature in the range of 5–40 °C.

  9. Ionic Vapor Composition in Pyridinium-Based Ionic Liquids.

    Science.gov (United States)

    Chaban, Vitaly V; Prezhdo, Oleg V

    2016-05-26

    Strong electrostatic interactions in ionic compounds make vaporization a complex process. The gas phase can contain a broad range of ionic clusters, and the cluster composition can differ greatly from that in the liquid phase. Room-temperature ionic liquids (RTILs) constitute a complicated case due to their ionic nature, asymmetric structure, and a huge versatility of ions and ionic clusters. This work reports vapor-liquid equilibria and vapor compositions of butylpyridinium (BPY) RTILs formed with hexafluorophosphate (PF6), trifluoromethanesulfonate (TF), and bis(trifluoromethanesulfonyl)imide (TFSI) anions. Unlike inorganic crystals, the pyridinium-based RTILs contain significant percentages of charged clusters in the vapor phase. Ion triplets and ion quadruplets each constitute up to 10% of the vapor phase composition. Triples prevail over quadruples in [BPY][PF6] due to the size difference of the cation and the anion. The percentage of charged ionic clusters in the gas phase is in inverse proportion to the mass of the anion. The largest identified vaporized ionic cluster comprises eight ions, with a formation probability below 1%. Higher temperature fosters formation of larger clusters due to an increase of the saturated vapor density.

  10. Application of Ionic Liquids in Hydrometallurgy

    Directory of Open Access Journals (Sweden)

    Jesik Park

    2014-08-01

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

  11. The structure of ionic liquids

    CERN Document Server

    Gontrani, Lorenzo

    2014-01-01

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

  12. Ionic liquids for rechargeable lithium batteries

    Energy Technology Data Exchange (ETDEWEB)

    Salminen, Justin; Papaiconomou, Nicolas; Kerr, John; Prausnitz,John; Newman, John

    2005-09-29

    We have investigated possible anticipated advantages of ionic-liquid electrolytes for use in lithium-ion batteries. Thermal stabilities and phase behavior were studied by thermal gravimetric analysis and differential scanning calorimetry. The ionic liquids studied include various imidazoliumTFSI systems, pyrrolidiniumTFSI, BMIMPF{sub 6}, BMIMBF{sub 4}, and BMIMTf. Thermal stabilities were measured for neat ionic liquids and for BMIMBF{sub 4}-LiBF{sub 4}, BMIMTf-LiTf, BMIMTFSI-LiTFSI mixtures. Conductivities have been measured for various ionic-liquid lithium-salt systems. We show the development of interfacial impedance in a Li|BMIMBF{sub 4} + LiBF{sub 4}|Li cell and we report results from cycling experiments for a Li|BMIMBF{sub 4} + 1 mol/kg LIBF{sub 4}|C cell. The interfacial resistance increases with time and the ionic liquid reacts with the lithium electrode. As expected, imidazolium-based ionic liquids react with lithium electrodes. We seek new ionic liquids that have better chemical stabilities.

  13. Pair dynamics and the intermolecular nuclear Overhauser effect (NOE) in liquids analysed by simulation and model theories: application to an ionic liquid.

    Science.gov (United States)

    Gabl, Sonja; Schröder, Christian; Braun, Daniel; Weingärtner, Hermann; Steinhauser, Othmar

    2014-05-14

    Combining simulation and model theories, this paper analyses the impact of pair dynamics on the intermolecular nuclear Overhauser effect (NOE) in liquids. For the first time, we give a distance resolved NOE. When applied to the ionic liquid 1-ethyl-3-methyl-imidazolium tetrafluoroborate the NOE turns out to be of long-range nature. This behaviour translates to the experimentally measured cross- and longitudinal relaxation rates. We were able to calculate the heteronuclear NOE from simulation data, despite the high computational effort. Model theories are computationally less demanding and cover the complete frequency range of the respective spectral density function, they are usually based on a very simple pair distribution function and the solution of the diffusion equation. In order to model the simulated data sufficiently, these simplifications in structure and dynamics have to be generalised considerably.

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

    Energy Technology Data Exchange (ETDEWEB)

    Park, Nam Ku [Division of Chemical Engineering and Molecular Thermodynamics Lab, Hanyang University, Seoul 133-791 (Korea, Republic of); Bae, Young Chan, E-mail: ycbae@hanyang.ac.k [Division of Chemical Engineering and Molecular Thermodynamics Lab, Hanyang University, Seoul 133-791 (Korea, Republic of)

    2010-11-15

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

  15. Thermodynamic modeling of ionic liquid systems: development and detailed overview of novel methodology based on the PC-SAFT.

    Science.gov (United States)

    Paduszyński, Kamil; Domańska, Urszula

    2012-04-26

    We present the results of an extensive study on a novel approach of modeling ionic liquids (ILs) and their mixtures with molecular compounds, incorporating perturbed-chain statistical associating fluid theory (PC-SAFT). PC-SAFT was used to calculate the thermodynamic properties of different homologous series of ILs based on the bis(trifluormethylsulfonyl)imide anion ([NTf2]). First, pure fluid parameters were obtained for each IL by means of fitting the model predictions to experimental liquid densities over a broad range of temperature and pressure. The reliability and physical significance of the parameters as well as the employed molecular scheme were tested by calculation of density, vapor pressure, and other properties of pure ILs (e.g., critical properties, normal boiling point). Additionally, the surface tension of pure ILs was calculated by coupling the PC-SAFT equation of state with density gradient theory (DGT). All correlated/predicted results were compared with literature experimental or simulation data. Afterward, we attempted to model various thermodynamic properties of some binary systems composed of IL and organic solvent or water. The properties under study were the binary vapor-liquid, liquid-liquid, and solid-liquid equilibria and the excess enthalpies of mixing. To calculate cross-interaction energies we used the standard combining rules of Lorentz-Berthelot, Kleiner-Sadowski, and Wolbach-Sandler. It was shown that incorporation of temperature-dependent binary corrections was required to obtain much more accurate results than in the case of conventional predictions. Binary corrections were adjusted to infinite dilution activity coefficients of a particular solute in a given IL determined experimentally or predicted by means of the modified UNIFAC (Dortmund) group contribution method. We concluded that the latter method allows accurate and reliable calculations of bulk-phase properties in a totally predictive manner.

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

    Science.gov (United States)

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

    2014-02-01

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

    Directory of Open Access Journals (Sweden)

    Eero eSalminen

    2014-02-01

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

  18. Thermodynamic analysis for solubility of pimelic acid in ionic liquids

    Science.gov (United States)

    Li, Hua; Jiao, Xingli; Chen, Xiaoshuang

    2014-07-01

    Based on the solubilities of pimelic acid in ionic liquids [EMIM][HSO4], [PMIM]Br, [i-PMIM][HSO4], [BMIM]Br, and [BMIM][HSO4], dissolution enthalpy and dissolution entropy at different temperatures have been calculated. The experimental data of solubilities are correlated with the modified Apelblat equation. The thermodynamic properties of pimelic acid in ionic liquids were discussed. The solubilities correlated by the model are in good agreement with experimental data.

  19. Separating closely resembling steroids with ionic liquids in liquid-liquid extraction systems

    NARCIS (Netherlands)

    Vitasari, C.R.; Gramblicka, M.; Gibcus, K.; Visser, T.J.; Geertman, R.M.; Schuur, B.

    2015-01-01

    Separation of steroids by liquid–liquid extraction with ionic liquids (ILs) as solvent was studied both experimentally and by simulation using a model mixture of progesterone and pregnenolone. The studies involved a solvent screening using COSMO-RS software for estimation of progesterone solubility.

  20. Ionic liquid polyoxometalates as light emitting materials

    Energy Technology Data Exchange (ETDEWEB)

    Ortiz-acosta, Denisse [Los Alamos National Laboratory; Del Sesto, Rico E [Los Alamos National Laboratory; Scott, Brian [Los Alamos National Laboratory; Bennett, Bryan L [Los Alamos National Laboratory; Purdy, Geraldine M [Los Alamos National Laboratory; Muenchausen, Ross E [Los Alamos National Laboratory; Mc Kigney, Edward [Los Alamos National Laboratory; Gilbertson, Robert [Los Alamos National Laboratory

    2008-01-01

    The low melting point, negligible vapor pressure, good solubility, and thermal and chemical stability make ionic liquids useful materials for a wide variety of applications. Polyoxometalates are early transition metal oxygen clusters that can be synthesized in many different sizes and with a variety of heterometals. The most attractive feature of POMs is that their physical properties, in particular electrical, magnetic, and optical properties, can be easily modified following known procedures. It has been shown that POMs can exhibit cooperative properties, as superconductivity and energy transfer. POM ionic liquids can be obtained by selecting the appropliate cation. Different alkyl ammonium and alkyl phosphonium salts are being used to produce new POM ionic liquids together with organic or inorganic luminescent centers to design light emitting materials. Ammonium and phosphonium cations with activated, polymerizable groups are being used to further polymerize the ionic liquid into transparent, solid materials with high metal density.

  1. Ionic Liquid Epoxy Composite Cryotanks Project

    Data.gov (United States)

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

  2. Selective gas absorption by ionic liquids

    DEFF Research Database (Denmark)

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

    2010-01-01

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

  3. Polarization versus Temperature in Pyridinium Ionic Liquids

    DEFF Research Database (Denmark)

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

    2014-01-01

    Electronic polarization and charge transfer effects play a crucial role in thermodynamic, structural, and transport properties of room-temperature ionic liquids (RTILs). These nonadditive interactions constitute a useful tool for tuning physical chemical behavior of RTILs. Polarization and charge...

  4. Aqueous ionic liquid pretreatment of straw.

    Science.gov (United States)

    Fu, Dongbao; Mazza, Giuseppe

    2011-07-01

    Pretreatment is the key to unlock the recalcitrance of lignocellulose for cellulosic biofuels production. Increasing attention has been drawn to ionic liquids (ILs) for pretreatment of lignocellulosic biomass, because this approach has several advantages over conventional methods. However, cost and energy-intensive recycling of the solvents are major constraints preventing ILs from commercial viability. In this work, a mixture of ionic liquid 1-ethyl-3-methylimidazolium acetate and water was demonstrated to be effective for pretreatment of lignocellulosic biomass, evidenced by the removal of lignin and a reduction in cellulose crystallinity. A higher fermentable sugar yield (81%) was obtained than for pure ionic liquid pretreatment under the same conditions (67%). Aqueous ionic liquid pretreatment has the advantages of less usage and easier recycling of ILs, and reduced viscosity. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

  5. Phosphonium-based ionic liquids and uses

    Energy Technology Data Exchange (ETDEWEB)

    Del Sesto, Rico E; Koppisch, Andrew T; Lovejoy, Katherine S; Purdy, Geraldine M

    2014-12-30

    Phosphonium-based room temperature ionic liquids ("RTILs") were prepared. They were used as matrices for Matrix-Assisted Laser Desorption Ionization (MALDI) mass spectrometry and also for preparing samples of dyes for analysis.

  6. Superbase-derived protic ionic liquids

    Science.gov (United States)

    Dai, Sheng; Luo, Huimin; Baker, Gary A.

    2013-09-03

    Protic ionic liquids having a composition of formula (A.sup.-)(BH.sup.+) wherein A.sup.- is a conjugate base of an acid HA, and BH.sup.+ is a conjugate acid of a superbase B. In particular embodiments, BH.sup.+ is selected from phosphazenium species and guanidinium species encompassed, respectively, by the general formulas: ##STR00001## The invention is also directed to films and membranes containing these protic ionic liquids, with particular application as proton exchange membranes for fuel cells.

  7. Ionic liquids in the synthesis of nanoobjects

    Energy Technology Data Exchange (ETDEWEB)

    Tarasova, Natalia P; Smetannikov, Yurii V; Zanin, A A [Institute of Chemistry and Problems of Sustainable Development D.I.Mendeleev University of Chemical Technology of Russia (Russian Federation)

    2010-08-12

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

  8. Ionic liquids in the synthesis of nanoobjects

    Science.gov (United States)

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

    2010-08-01

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

  9. The Solubility Parameters of Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Andrzej Marciniak

    2010-04-01

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

  10. Thermodynamic Properties of Caprolactam Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    JIANG Lu; BAI Liguang; ZHU Jiqin; CHEN Biaohua

    2013-01-01

    A series of caprolactam ionic liquids (ILs) containing incorporated halide anions were synthesized.Their physical properties,such as melting points,heats of fusion and heat capacities,were measured by differential scanning calorimeter (DSC).The results indicate that these ionic liquids exhibit proper melting points,high value of heats of fusion,and satisfying heat capacities which are suitable for thermal energy storage applications.

  11. Study of thioglycosylation in ionic liquids

    Directory of Open Access Journals (Sweden)

    Ragauskas Arthur

    2006-06-01

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

  12. Interaction of Novel Ionic Liquids with Soils

    OpenAIRE

    2013-01-01

    With the constant development of new ionic liquids, the understanding of the chemical fate of these compounds also needs to be updated. To this effect, the interaction of a number of novel ionic liquids with soils was determined. Therefore, three novel headgroups (ammonium, phosphonium, or pyrrolidinium) with single or quaternary substitution were tested on a variety of soils with high-to-low organic matter content and high-to-low cation exchange capacity, thereby trying to capture the full r...

  13. Long-range electrostatic screening in ionic liquids.

    Science.gov (United States)

    Gebbie, Matthew A; Dobbs, Howard A; Valtiner, Markus; Israelachvili, Jacob N

    2015-06-16

    Electrolyte solutions with high concentrations of ions are prevalent in biological systems and energy storage technologies. Nevertheless, the high interaction free energy and long-range nature of electrostatic interactions makes the development of a general conceptual picture of concentrated electrolytes a significant challenge. In this work, we study ionic liquids, single-component liquids composed solely of ions, in an attempt to provide a novel perspective on electrostatic screening in very high concentration (nonideal) electrolytes. We use temperature-dependent surface force measurements to demonstrate that the long-range, exponentially decaying diffuse double-layer forces observed across ionic liquids exhibit a pronounced temperature dependence: Increasing the temperature decreases the measured exponential (Debye) decay length, implying an increase in the thermally driven effective free-ion concentration in the bulk ionic liquids. We use our quantitative results to propose a general model of long-range electrostatic screening in ionic liquids, where thermally activated charge fluctuations, either free ions or correlated domains (quasiparticles), take on the role of ions in traditional dilute electrolyte solutions. This picture represents a crucial step toward resolving several inconsistencies surrounding electrostatic screening and charge transport in ionic liquids that have impeded progress within the interdisciplinary ionic liquids community. More broadly, our work provides a previously unidentified way of envisioning highly concentrated electrolytes, with implications for diverse areas of inquiry, ranging from designing electrochemical devices to rationalizing electrostatic interactions in biological systems.

  14. Supported ionic liquid membrane in membrane reactor

    Science.gov (United States)

    Makertihartha, I. G. B. N.; Zunita, M.; Dharmawijaya, P. T.; Wenten, I. G.

    2017-01-01

    Membrane reactor is a device that integrates membrane based separation and (catalytic) chemical reaction vessel in a single device. Ionic liquids, considered to be a relatively recent magical chemical due to their unique properties, have a large variety of applications in all areas of chemical industries. Moreover, the ionic liquid can be used as membrane separation layer and/or catalytically active site. This paper will review utilization of ionic liquid in membrane reactor related applications especially Fischer-Tropsch, hydrogenation, and dehydrogenation reaction. This paper also reviews about the capability of ionic liquid in equilibrium reaction that produces CO2 product so that the reaction will move towards the product. Water gas shift reaction in ammonia production also direct Dimethyl Ether (DME) synthesis that produces CO2 product will be discussed. Based on a review of numerous articles on supported ionic liquid membrane (SILM) indicate that ionic liquids have the potential to support the process of chemical reaction and separation in a membrane reactor.

  15. Aqueous Solutions of Ionic Liquids: Microscopic Assembly.

    Science.gov (United States)

    Vicent-Luna, Jose Manuel; Dubbeldam, David; Gómez-Álvarez, Paula; Calero, Sofia

    2016-02-01

    Aqueous solutions of ionic liquids are of special interest, due to the distinctive properties of ionic liquids, in particular, their amphiphilic character. A better understanding of the structure-property relationships of such systems is hence desirable. One of the crucial molecular-level interactions that influences the macroscopic behavior is hydrogen bonding. In this work, we conduct molecular dynamics simulations to investigate the effects of ionic liquids on the hydrogen-bond network of water in dilute aqueous solutions of ionic liquids with various combinations of cations and anions. Calculations are performed for imidazolium-based cations with alkyl chains of different lengths and for a variety of anions, namely, [Br](-), [NO3](-), [SCN](-) [BF4](-), [PF6](-), and [Tf2N](-). The structure of water and the water-ionic liquid interactions involved in the formation of a heterogeneous network are analyzed by using radial distribution functions and hydrogen-bond statistics. To this end, we employ the geometric criterion of the hydrogen-bond definition and it is shown that the structure of water is sensitive to the amount of ionic liquid and to the anion type. In particular, [SCN](-) and [Tf2N](-) were found to be the most hydrophilic and hydrophobic anions, respectively. Conversely, the cation chain length did not influence the results.

  16. CHEMICAL DEMULSIFICATION OF MODEL WATER-IN-OIL EMULSIONS WITH LOW WATER CONTENT BY MEANS OF IONIC LIQUIDS

    Directory of Open Access Journals (Sweden)

    M. Balsamo

    Full Text Available Abstract The demulsification of model water-in-oil (w/o emulsions containing 1% wt. water by [Omim][PF6] and Aliquat® 336 ionic liquids (IL as demulsifiers was investigated in batch mode at different temperatures (30, 45 and 60 °C and demulsifier concentrations (2.5×10‒3, 1.2×10‒2 and 2.9×10‒2 mol L‒1. The model oil is a mixture n-heptane/toluene (70/30% wt. with 1% wt. of Span® 83 as a surfactant. Experimental results showed that the main differences in demulsification dynamics between systems containing IL and blank (i.e., in the absence of demulsifier are detected at 30 °C and for short demulsification times (t≤4 h. In particular, the demulsification efficiency is 8, 21 and 74% for the blank sample, [Omim][PF6] and Aliquat® 336 tested under the more concentrated IL condition, respectively. The superior demulsification performances of Aliquat® 336 with respect to [Omim][PF6] were related to the greater molecular weight and more hydrophobic character of its cation, likely able to induce a faster desorption of the surfactant at the w/o interface and consequently promoting water droplet coalescence. Moreover, the kinetic demulsification data were successfully interpreted by an empirical pseudo-first order model. In general, the obtained outcomes encourage future research efforts in the use of ionic liquids for the removal of low water fractions from w/o emulsions.

  17. Extraction of organic compounds with room temperature ionic liquids.

    Science.gov (United States)

    Poole, Colin F; Poole, Salwa K

    2010-04-16

    Room temperature ionic liquids are novel solvents with a rather specific blend of physical and solution properties that makes them of interest for applications in separation science. They are good solvents for a wide range of compounds in which they behave as polar solvents. Their physical properties of note that distinguish them from conventional organic solvents are a negligible vapor pressure, high thermal stability, and relatively high viscosity. They can form biphasic systems with water or low polarity organic solvents and gases suitable for use in liquid-liquid and gas-liquid partition systems. An analysis of partition coefficients for varied compounds in these systems allows characterization of solvent selectivity using the solvation parameter model, which together with spectroscopic studies of solvent effects on probe substances, results in a detailed picture of solvent behavior. These studies indicate that the solution properties of ionic liquids are similar to those of polar organic solvents. Practical applications of ionic liquids in sample preparation include extractive distillation, aqueous biphasic systems, liquid-liquid extraction, liquid-phase microextraction, supported liquid membrane extraction, matrix solvents for headspace analysis, and micellar extraction. The specific advantages and limitations of ionic liquids in these studies is discussed with a view to defining future uses and the need not to neglect the identification of new room temperature ionic liquids with physical and solution properties tailored to the needs of specific sample preparation techniques. The defining feature of the special nature of ionic liquids is not their solution or physical properties viewed separately but their unique combinations when taken together compared with traditional organic solvents.

  18. A novel family of green ionic liquids with surface activities

    Institute of Scientific and Technical Information of China (English)

    ZHANG HaiBo; ZHOU XiaoHai; DONG JinFeng; ZHANG GaoYong; WANG CunXin

    2007-01-01

    Ionic liquids have many unique properties as a new and remarkable class of environmental benign solvents, which promises widespread applications in industry and other areas. However, the ionic liquids with surface activity are rarely reported. In this work, a series of novel ionic liquids was synthesized by using N-methyl-2-pyrrolidone and alkyl bromide. The physical properties of this family of ionic liquids have been characterized, which shows that these compounds have ionic liquids characteristics,surface activity and biocompatibility.

  19. Enhanced Stability of the Model Mini-protein in Amino Acid Ionic Liquids and Their Aqueous Solutions

    CERN Document Server

    Chevrot, Guillaume; Chaban, Vitaly V

    2015-01-01

    Using molecular dynamics simulations, the structure of model mini-protein was thoroughly characterized in the imidazolium-based amino acid ionic liquids and their aqueous solutions. We report that the mini-protein is more stable when AAIL is added as a cosolvent. Complete substitution of water by organic cations and anions further results in hindered conformational flexibility of the mini-protein. This observation suggests that AAILs are able to defend proteins from thermally induced denaturation. We show by means of radial distributions that the mini-protein is efficiently solvated by both solvents due to agood mutual miscibility. However, amino acid based anions prevail in the first coordination sphere of the mini-protein.

  20. Ionic liquids--an overview.

    Science.gov (United States)

    Jenkins, Harry Donald Brooke

    2011-01-01

    A virtually unprecedented exponential burst of activity resulted following the publication, in 1998, of an article by Michael Freeman (Freemantle, M. Chemical & Engineering News, 1998, March 30, 32), which speculated on the role and contribution that ionic liquids (ILs) might make in the future on the development of clean technology. Up until that time only a handful of researchers were routinely engaged in the study of ILs but frenzied activity followed that continues until the present day. Scientists from all disciplines related to Chemistry have now embarked on studies, including theoreticians who are immersed in the aim of improving the "designer role" so that they can tailor ILs to deliver specified properties. This article, whilst not in any sense attempting to be exhaustive, highlights the main features which characterise ILs, presenting these in a form readily assimilated by newcomers to this area of research. An extensive glossary is featured in this article as well as a chronological list which charts the major areas of development. What follows consists of a number of sections briefly describing the role of lLs as solvents, hypergolic fuels, their use in some electrochemical devices such as solar cells and lithium batteries and their use in polymerisation reactions, followed by a concise summary of some of the other roles that they are capable of playing. The role of empirical, volume-based thermodynamics procedures, as well as large scale computational studies on ILs is also highlighted. These developments which are described are remarkable in that they have been achieved in less than a decade and a half although knowledge of these materials has existed for much longer.

  1. Ionic liquid processing of cellulose.

    Science.gov (United States)

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

    2012-02-21

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

  2. IONIC LIQUIDS MATERIAL AS MODERN CONTEXT OF CHEMISTRY IN SCHOOL

    Directory of Open Access Journals (Sweden)

    Hernani Hernani

    2016-04-01

    Full Text Available One way to improve students’ chemistry literacy which is demanded in the modernization of modern technology-based chemistry learning is by studying ionic liquids. Low level of scientific literacy of students in Indonesia as revealed in the PISA in 2012 was the main reason of the research. Ionic liquids-based technology are necessary to be applied as a context for learning chemistry because: (1 the attention of the scientific an technology community in the use of ionic liquids as a new generation of green solvent, electrolyte material and fluidic engineering in recent years becomes larger, in line with the strong demands of the industry for the provision of new materials that are reliable, safe, and friendly for various purposes; (2 scientific explanations related to the context of the ionic liquid contains a lot of facts, concepts, principles, laws, models and theories can be used to reinforce the learning content as a media to develop thinking skill (process/competence as demanded by PISA; (3 The modern technology-based ionic liquid can also be used as a discourse to strengthen scientific attitude. The process of synthesis of ionic liquid involves fairly simple organic reagents, so it deserves to be included in the chemistry subject in school.

  3. IONIC LIQUIDS MATERIAL AS MODERN CONTEXT OF CHEMISTRY IN SCHOOL

    Directory of Open Access Journals (Sweden)

    Hernani Hernani

    2016-04-01

    Full Text Available One way to improve students’ chemistry literacy which is demanded in the modernization of modern technology-based chemistry learning is by studying ionic liquids. Low level of scientific literacy of students in Indonesia as revealed in the PISA in 2012 was the main reason of the research. Ionic liquids-based technology are necessary to be applied as a context for learning chemistry because: (1 the attention of the scientific an technology community in the use of ionic liquids as a new generation of green solvent, electrolyte material and fluidic engineering in recent years becomes larger, in line with the strong demands of the industry for the provision of new materials that are reliable, safe, and friendly for various purposes; (2 scientific explanations related to the context of the ionic liquid contains a lot of facts, concepts, principles, laws, models and theories can be used to reinforce the learning content as a media to develop thinking skill (process/competence as demanded by PISA; (3 The modern technology-based ionic liquid can also be used as a discourse to strengthen scientific attitude. The process of synthesis of ionic liquid involves fairly simple organic reagents, so it deserves to be included in the chemistry subject in school.

  4. QSTR with extended topochemical atom (ETA) indices. 16. Development of predictive classification and regression models for toxicity of ionic liquids towards Daphnia magna.

    Science.gov (United States)

    Roy, Kunal; Das, Rudra Narayan

    2013-06-15

    Ionic liquids have been judged much with respect to their wide applicability than their considerable harmful effects towards the living ecosystem which has been observed in many instances. Hence, toxicological introspection of these chemicals by the development of predictive mathematical models can be of good help. This study presents an attempt to develop predictive classification and regression models correlating the structurally derived chemical information of a group of 62 diverse ionic liquids with their toxicity towards Daphnia magna and their interpretation. We have principally used the extended topochemical atom (ETA) indices along with various topological non-ETA and thermodynamic parameters as independent variables. The developed quantitative models have been subjected to extensive statistical tests employing multiple validation strategies from which acceptable results have been reported. The best models obtained from classification and regression studies captured necessary structural information on lipophilicity, branching pattern, electronegativity and chain length of the cationic substituents for explaining ecotoxicity of ionic liquids towards D. magna. The derived information can be successfully used to design better ionic liquid analogues acquiring the qualities of a true eco-friendly green chemical.

  5. Water Contaminant Mitigation in Ionic Liquid Propellant

    Science.gov (United States)

    Conroy, David; Ziemer, John

    2009-01-01

    Appropriate system and operational requirements are needed in order to ensure mission success without unnecessary cost. Purity requirements applied to thruster propellants may flow down to materials and operations as well as the propellant preparation itself. Colloid electrospray thrusters function by applying a large potential to a room temperature liquid propellant (such as an ionic liquid), inducing formation of a Taylor cone. Ions and droplets are ejected from the Taylor cone and accelerated through a strong electric field. Electrospray thrusters are highly efficient, precise, scaleable, and demonstrate low thrust noise. Ionic liquid propellants have excellent properties for use as electrospray propellants, but can be hampered by impurities, owing to their solvent capabilities. Of foremost concern is the water content, which can result from exposure to atmosphere. Even hydrophobic ionic liquids have been shown to absorb water from the air. In order to mitigate the risks of bubble formation in feed systems caused by water content of the ionic liquid propellant, physical properties of the ionic liquid EMI-Im are analyzed. The effects of surface tension, material wetting, physisorption, and geometric details of the flow manifold and electrospray emitters are explored. Results are compared to laboratory test data.

  6. Fluid phase behaviour of ionic liquid-based systems of interest for green processes: measurements and modelling

    NARCIS (Netherlands)

    Kühne, E.

    2008-01-01

    In the last decades a large number of applications with ionic liquids (IL) have emerged, and since the discovery that carbon dioxide can tune the miscibility of IL+organic mixtures, special attention has been drawn to the use of IL and CO2 as combined solvents for synthesis and extractions. To evalu

  7. Supported ionic liquid-phase (SILP) catalysis

    DEFF Research Database (Denmark)

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

    2005-01-01

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

  8. The Research Progress of CO2 Capture with Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    赵志军; 董海峰; 张香平

    2012-01-01

    Due to their negligible volatility, reasonable thermal stability, strong dissolubility, wide liquid range and tunability of structure and property, ionic liquids have been regarded as emerging candidate reagents for CO2 cap- ture from industries gases. In this review, the research progresses in CO2 capture using conventional ionic liquids,functionalized ionic liquids, supported ionic-liquids membranes, polymerized ionic liquids and mixtures of ionic liquids with some molecular solvents were investigated and reviewed. Discussion of relevant research fields was presented and the future developments were suggested.

  9. Ion Transport in Nanostructured Block Copolymer/Ionic Liquid Membranes

    Science.gov (United States)

    Hoarfrost, Megan Lane

    Incorporating an ionic liquid into one block copolymer microphase provides a platform for combining the outstanding electrochemical properties of ionic liquids with a number of favorable attributes provided by block copolymers. In particular, block copolymers thermodynamically self-assemble into well-ordered nanostructures, which can be engineered to provide a durable mechanical scaffold and template the ionic liquid into continuous ion-conducting nanochannels. Understanding how the addition of an ionic liquid affects the thermodynamic self-assembly of block copolymers, and how the confinement of ionic liquids to block copolymer nanodomains affects their ion-conducting properties is essential for predictable structure-property control. The lyotropic phase behavior of block copolymer/ionic liquid mixtures is shown to be reminiscent of mixtures of block copolymers with selective molecular solvents. A variety of ordered microstructures corresponding to lamellae, hexagonally close-packed cylinders, body-centered cubic, and face-centered cubic oriented micelles are observed in a model system composed of mixtures of imidazolium bis(trifluoromethylsulfonyl)imide ([Im][TFSI]) and poly(styrene- b-2-vinyl pyridine) (PS-b-P2VP). In contrast to block copolymer/molecular solvent mixtures, the interfacial area occupied by each PS-b-P2VP chain decreases upon the addition of [Im][TFSI], indicating a considerable increase in the effective segregation strength of the PS-b-P2VP copolymer with ionic liquid addition. The relationship between membrane structure and ionic conductivity is illuminated through the development of scaling relationships that describe the ionic conductivity of block copolymer/ionic liquid mixtures as a function of membrane composition and temperature. It is shown that the dominant variable influencing conductivity is the overall volume fraction of ionic liquid in the mixture, which means there is incredible freedom in designing the block copolymer architecture

  10. TETRAALKYLPHOSPHONIUM POLYOXOMETALATES AS NOVEL IONIC LIQUIDS.

    Energy Technology Data Exchange (ETDEWEB)

    DIETZ,M.L.; RICKERT, P.G.; ANTONIO, M.R.; FIRESTONE, M.A.; WISHART, J.F.; SZREDER, T.

    2007-11-30

    The pairing of a Lindqvist or Keggin polyoxometalate (POM) anion with an appropriate tetraalkylphosphonium cation, [R{sub 3}R{prime}P]{sup +}, has been shown to yield an original family of ionic liquids (POM-ILs), among them salts liquid at or near ambient temperature. The physicochemical properties of several such 'inorganic liquids', in particular their thermal properties, suggests the possible application of these compounds as robust, thermally-stable solvents for liquid-liquid extraction. A preliminary evaluation of the potential of POM-ILs in this application is presented.

  11. Enzyme activity in dialkyl phosphate ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, M.F.; Dunn, J.; Li, L.-L.; Handley-Pendleton, J. M.; van der lelie, D.; Wishart, J. F.

    2011-12-01

    The activity of four metagenomic enzymes and an enzyme cloned from the straw mushroom, Volvariellavolvacea were studied in the following ionic liquids, 1,3-dimethylimidazolium dimethyl phosphate, [mmim][dmp], 1-ethyl-3-methylimidazolium dimethyl phosphate, [emim][dmp], 1-ethyl-3-methylimidazolium diethyl phosphate, [emim][dep] and 1-ethyl-3-methylimidazolium acetate, [emim][OAc]. Activity was determined by analyzing the hydrolysis of para-nitrobenzene carbohydrate derivatives. In general, the enzymes were most active in the dimethyl phosphate ionic liquids, followed by acetate. Generally speaking, activity decreased sharply for concentrations of [emim][dep] above 10% v/v, while the other ionic liquids showed less impact on activity up to 20% v/v.

  12. Enzyme activity in dialkyl phosphate ionic liquids.

    Science.gov (United States)

    Thomas, Marie F; Li, Luen-Luen; Handley-Pendleton, Jocelyn M; van der Lelie, Daniel; Dunn, John J; Wishart, James F

    2011-12-01

    The activity of four metagenomic enzymes and an enzyme cloned from the straw mushroom, Volvariella volvacea were studied in the following ionic liquids, 1,3-dimethylimidazolium dimethyl phosphate, [mmim][dmp], 1-ethyl-3-methylimidazolium dimethyl phosphate, [emim][dmp], 1-ethyl-3-methylimidazolium diethyl phosphate, [emim][dep] and 1-ethyl-3-methylimidazolium acetate, [emim][OAc]. Activity was determined by analyzing the hydrolysis of para-nitrobenzene carbohydrate derivatives. In general, the enzymes were most active in the dimethyl phosphate ionic liquids, followed by acetate. Generally speaking, activity decreased sharply for concentrations of [emim][dep] above 10% v/v, while the other ionic liquids showed less impact on activity up to 20% v/v.

  13. Functional ionic liquids; Funktionelle ionische Fluessigkeiten

    Energy Technology Data Exchange (ETDEWEB)

    Baecker, Tobias

    2012-07-01

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

  14. Fast Conversion of Ionic Liquids and Poly(Ionic Liquid)s into Porous Nitrogen-Doped Carbons in Air

    OpenAIRE

    2016-01-01

    Ionic liquids and poly(ionic liquid)s have been successfully converted into nitrogen-doped porous carbons with tunable surface area up to 1200 m2/g at high temperatures in air. Compared to conventional carbonization process conducted under inert gas to produce nitrogen-doped carbons, the new production method was completed in a rather shorter time without noble gas protection.

  15. Extractive Deep Desulfurization of Liquid Fuels Using Lewis-Based Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Swapnil A. Dharaskar

    2013-01-01

    Full Text Available A new class of green solvents, known as ionic liquids (ILs, has recently been the subject of intensive research on the extractive desulfurization of liquid fuels because of the limitation of traditional hydrodesulfurization method. In present work, eleven Lewis acid ionic liquids were synthesized and employed as promising extractants for deep desulfurization of the liquid fuel containing dibenzothiophene (DBT to test the desulfurization efficiency. [Bmim]Cl/FeCl3 was the most promising ionic liquid and performed the best among studied ionic liquids under the same operating conditions. It can remove dibenzothiophene from the model liquid fuel in the single-stage extraction process with the maximum desulfurization efficiency of 75.6%. It was also found that [Bmim]Cl/FeCl3 may be reused without regeneration with considerable extraction efficiency of 47.3%. Huge saving on energy can be achieved if we make use of this ionic liquids behavior in process design, instead of regenerating ionic liquids after every time of extraction.

  16. Ionic Liquids in Lithium-Ion Batteries.

    Science.gov (United States)

    Balducci, Andrea

    2017-04-01

    Lithium-ion batteries are among the most widespread energy storage devices in our society. In order to introduce these devices in new key applications such as transportation, however, their safety and their operative temperature range need to be significantly improved. These improvements can be obtained only by developing new electrolytes. Ionic liquids are presently considered among the most attractive electrolytes for the development of advanced and safer lithium-ion batteries. In this manuscript, the use of various types of ionic liquids, e.g. aprotic and protic, in lithium-ion batteries is considered. The advantages and the limits associated to the use of these innovative electrolytes are critically analysed.

  17. Exploring simple, transparent, interpretable and predictive QSAR models for classification and quantitative prediction of rat toxicity of ionic liquids using OECD recommended guidelines.

    Science.gov (United States)

    Das, Rudra Narayan; Roy, Kunal; Popelier, Paul L A

    2015-11-01

    The present study explores the chemical attributes of diverse ionic liquids responsible for their cytotoxicity in a rat leukemia cell line (IPC-81) by developing predictive classification as well as regression-based mathematical models. Simple and interpretable descriptors derived from a two-dimensional representation of the chemical structures along with quantum topological molecular similarity indices have been used for model development, employing unambiguous modeling strategies that strictly obey the guidelines of the Organization for Economic Co-operation and Development (OECD) for quantitative structure-activity relationship (QSAR) analysis. The structure-toxicity relationships that emerged from both classification and regression-based models were in accordance with the findings of some previous studies. The models suggested that the cytotoxicity of ionic liquids is dependent on the cationic surfactant action, long alkyl side chains, cationic lipophilicity as well as aromaticity, the presence of a dialkylamino substituent at the 4-position of the pyridinium nucleus and a bulky anionic moiety. The models have been transparently presented in the form of equations, thus allowing their easy transferability in accordance with the OECD guidelines. The models have also been subjected to rigorous validation tests proving their predictive potential and can hence be used for designing novel and "greener" ionic liquids. The major strength of the present study lies in the use of a diverse and large dataset, use of simple reproducible descriptors and compliance with the OECD norms. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Ionic Liquids for Advanced Materials

    Science.gov (United States)

    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

  19. A Facile Ionic Liquid Promoted Synthesis, Cholinesterase Inhibitory Activity and Molecular Modeling Study of Novel Highly Functionalized Spiropyrrolidines

    Directory of Open Access Journals (Sweden)

    Abdulrahman I. Almansour

    2015-01-01

    Full Text Available A series of novel dimethoxyindanone embedded spiropyrrolidines were synthesized in ionic liquid, [bmim]Br and were evaluated for their inhibitory activities towards cholinesterases. Among the spiropyrrolidines, compound 4f exhibited the most potent activity with an IC50 value of 1.57 µM against acethylcholinesterase (AChE. Molecular docking simulation for the most active compound was employed with the aim of disclosing its binding mechanism to the active site of AChE receptor.

  20. Ionic liquid-nanoparticle hybrid electrolytes

    KAUST Repository

    Lu, Yingying

    2012-01-01

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

  1. Applications of ionic liquids in polymer science and technology

    CERN Document Server

    2015-01-01

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

  2. Physical chemistry of reaction dynamics in ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-10-02

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

  3. Physical Chemistry of Reaction Dynamics in Ionic Liquid

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-10-02

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

  4. Structural basis for the enhanced stability of protein model compounds and peptide backbone unit in ammonium ionic liquids.

    Science.gov (United States)

    Vasantha, T; Attri, Pankaj; Venkatesu, Pannuru; Devi, R S Rama

    2012-10-04

    Protein folding/unfolding is a fascinating study in the presence of cosolvents, which protect/disrupt the native structure of protein, respectively. The structure and stability of proteins and their functional groups may be modulated by the addition of cosolvents. Ionic liquids (ILs) are finding a vast array of applications as novel cosolvents for a wide variety of biochemical processes that include protein folding. Here, the systematic and quantitative apparent transfer free energies (ΔG'(tr)) of protein model compounds from water to ILs through solubility measurements as a function of IL concentration at 25 °C have been exploited to quantify and interpret biomolecular interactions between model compounds of glycine peptides (GPs) with ammonium based ILs. The investigated aqueous systems consist of zwitterionic glycine peptides: glycine (Gly), diglycine (Gly(2)), triglycine (Gly(3)), tetraglycine (Gly(4)), and cyclic glycylglycine (c(GG)) in the presence of six ILs such as diethylammonium acetate (DEAA), diethylammonium hydrogen sulfate (DEAS), triethylammonium acetate (TEAA), triethylammonium hydrogen sulfate (TEAS), triethylammonium dihydrogen phosphate (TEAP), and trimethylammonium acetate (TMAA). We have observed positive values of ΔG'(tr) for GPs from water to ILs, indicating that interactions between ILs and GPs are unfavorable, which leads to stabilization of the structure of model protein compounds. Moreover, our experimental data ΔG'(tr) is used to obtain transfer free energies (Δg'(tr)) of the peptide backbone unit (or glycyl unit) (-CH(2)C═ONH-), which is the most numerous group in globular proteins, from water to IL solutions. To obtain the mechanism events of the ILs' role in enhancing the stability of the model compounds, we have further obtained m-values for GPs from solubility limits. These results explicitly elucidate that all alkyl ammonium ILs act as stabilizers for model compounds through the exclusion of ILs from model compounds of

  5. CPE OF URANIUM (VI USING IONIC LIQUID

    Directory of Open Access Journals (Sweden)

    SANAA NAÏT-TAHAR

    2016-07-01

    Full Text Available Cloud point extraction (CPE was used to extract uranium (VI from an aqueous solution in acetate media. The methodology used is based on the formation of uranyl-ionic liquid (I complexes and uranyl-D2EHPA soluble in a micellar phase of non-ionic surfactant (Triton X-100. The uranium (VI complexes are then extracted into the surfactant-rich phase at ambient temperature. The ionic liquid (IL used as a chelating agent was synthesized and characterized in this study. It is composed of N-butyl N’-triethoxy methyl imidazolium cation and diethylhexylphosphate (D2EHPA-H as anion. The effect of the IL on the extraction efficiency was studied in presence and in absence of IL’s cation in acetate medium.

  6. VOC and HAP recovery using ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Michael R. Milota : Kaichang Li

    2007-05-29

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

  7. New Method for the Estimation of Viscosity of Pure and Mixtures of Ionic Liquids Based on the UNIFAC–VISCO Model

    OpenAIRE

    Zhao, Nan; Jacquemin, Johan; Oozeerally, Ryan; Degirmenci, Volkan

    2016-01-01

    A modified UNIFAC–VISCO group contribution method was developed for the correlation and prediction of viscosity of ionic liquids as a function of temperature at 0.1 MPa. In this original approach, cations and anions were regarded as peculiar molecular groups. The significance of this approach comes from the ability to calculate the viscosity of mixtures of ionic liquids as well as pure ionic liquids. Binary interaction parameters for selected cations and anions were determined by fitting the ...

  8. Synthesis, characterization and thermal properties of thiosalicylate ionic liquids

    Indian Academy of Sciences (India)

    Cecilia Devi Wilfred; Fadwa Babiker Mustafa

    2013-11-01

    In an attempt to produce new functionalized ionic liquids, a series of thiosalicylate ionic liquids based on imidazolium, ammonium, phosphonium, choline and pyrrolidinium cations were synthesized. The compounds were characterized by Infra Red (IR), Nuclear Magnetic Resonance (NMR) and mass spectra (ESI-MS). Their glass-transition temperatures, melting points and decomposition temperatures have been measured. Physicochemical properties of ionic liquids are influenced by alkyl chain length and nature of the cation of ionic liquids.

  9. Application of Ionic Liquids in Amperometric Gas Sensors.

    Science.gov (United States)

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

    2016-01-01

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

  10. Characterization and Functionality of Immidazolium Ionic Liquids Modified Magnetic Nanoparticles

    OpenAIRE

    Ying Li; Ning Tang; Fuyuhiko Inagaki; Chisato Mukai; Kazuichi Hayakawa

    2013-01-01

    1,3-Dialkylimidazolium-based ionic liquids were chemically synthesized and bonded on the surface of magnetic nanoparticles (MNPs) with easy one-step reaction. The obtained six kinds of ionic liquid modified MNPs were characterized with transmission electron microscopy, thermogravimetric analysis, magnetization, and FTIR, which owned the high adsorption capacity due to the nanometer size and high-density modification with ionic liquids. Functionality of MNPs with ionic liquids greatly influenc...

  11. Solvation and Reaction in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Maroncelli, Mark

    2015-01-15

    The long-range goal of our DOE-sponsored research is to obtain a fundamental understanding of solvation effects on photo-induced charge transfer and related processes. Much of the focus during the past funding period has been on studies of ionic liquids and on characterizing various reactions with which to probe the nature of this interesting new solvent medium.

  12. Vaporisation of a dicationic ionic liquid.

    Science.gov (United States)

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

    2009-02-02

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

  13. Catalytic Alkene Metathesis in Ionic Liquids

    Science.gov (United States)

    Fischmeister, Cédric

    Olefin metathesis has found a tremendous number of application in the past 25 years. Immobilisation of olefin metathesis (pre)catalysts in room temperature ionic liquids (RTILs) offers the opportunity to recover and reuse the catalyst and also to reduce the level of ruthenium (Ru) contaminants in the products.

  14. Reactions of Starch in Ionic Liquids

    Science.gov (United States)

    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...

  15. Photo-degradation of imidazolium ionic liquids

    OpenAIRE

    Katoh, Ryuzi; Takahashi, Kenji

    2009-01-01

    Degradation of imidazolium ionic liquid, [bmim+][TFSA-] and iodide solution of [bmim+][TFSA-] by UV-laser irradiation has been studied through ground-state absorption and transient absorption spectroscopy. We found that excited state [bmim+]* undergoes degradation efficiently. © 2009 Elsevier Ltd. All rights reserved.

  16. Esterification of Starch in Ionic Liquids

    Science.gov (United States)

    We shall discuss the use of various ionic liquids in the preparation of starch esters. Starch was reacted with vinyl acetate in different 1-butyl-3-methylimidazolium (bmim) salts as solvents in an effort to produce starches with different acetylation patterns. Overall degree of substitution (DS) w...

  17. Partition coefficients of organic compounds in new imidazolium based ionic liquids using inverse gas chromatography.

    Science.gov (United States)

    Revelli, Anne-Laure; Mutelet, Fabrice; Jaubert, Jean-Noël

    2009-06-05

    Partition coefficients of organic compounds in four ionic liquids: 1-ethanol-3-methylimidazolium tetrafluoroborate, 1-ethanol-3-methylimidazolium hexafluorophosphate, 1,3-dimethylimidazolium dimethylphosphate and 1-ethyl-3-methylimidazolium diethylphosphate were measured using inverse gas chromatography from 303.3 to 332.55K. The influence of gas-liquid and gas-solid interfacial adsorption of different solutes on ionic liquids was also studied. Most of the polar solutes were retained largely by partition while light hydrocarbons were retained predominantly by interfacial adsorption on the ionic liquids studied in this work. The solvation characteristics of the ionic liquids were evaluated using the Abraham solvation parameter model.

  18. Liquid-Liquid Extraction in Systems Containing Butanol and Ionic Liquids – A Review

    Directory of Open Access Journals (Sweden)

    Kubiczek Artur

    2017-03-01

    Full Text Available Room-temperature ionic liquids (RTILs are a moderately new class of liquid substances that are characterized by a great variety of possible anion-cation combinations giving each of them different properties. For this reason, they have been termed as designer solvents and, as such, they are particularly promising for liquid-liquid extraction, which has been quite intensely studied over the last decade. This paper concentrates on the recent liquid-liquid extraction studies involving ionic liquids, yet focusing strictly on the separation of n-butanol from model aqueous solutions. Such research is undertaken mainly with the intention of facilitating biological butanol production, which is usually carried out through the ABE fermentation process. So far, various sorts of RTILs have been tested for this purpose while mostly ternary liquid-liquid systems have been investigated. The industrial design of liquid-liquid extraction requires prior knowledge of the state of thermodynamic equilibrium and its relation to the process parameters. Such knowledge can be obtained by performing a series of extraction experiments and employing a certain mathematical model to approximate the equilibrium. There are at least a few models available but this paper concentrates primarily on the NRTL equation, which has proven to be one of the most accurate tools for correlating experimental equilibrium data. Thus, all the presented studies have been selected based on the accepted modeling method. The reader is also shown how the NRTL equation can be used to model liquid-liquid systems containing more than three components as it has been the authors’ recent area of expertise.

  19. Potentiostat for Characterizing Microstructures at Ionic Liquid/Electrode Interfaces

    Science.gov (United States)

    2015-10-10

    Characterizing Microstructures at Ionic Liquid /Electrode Interfaces Report Title This report details the procurement and integration of a multichannel...Haverhals, “Microstructure at the Ionic Liquid /Electrode Interface ”, 226th ECS Meeting, 8 October, 2014, Cancun, Mexico. (c) Presentations Received Paper...Technology Transfer FINAL REPORT “Potentiostat for Characterizing Microstructures at Ionic Liquid /Electrode Interfaces ” Proposal #: 66259CHRI

  20. Synthesis of electroactive ionic liquids for flow battery applications

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Travis Mark; Ingersoll, David; Staiger, Chad; Pratt, Harry

    2015-09-01

    The present disclosure is directed to synthesizing metal ionic liquids with transition metal coordination cations, where such metal ionic liquids can be used in a flow battery. A cation of a metal ionic liquid includes a transition metal and a ligand coordinated to the transition metal.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-03-15

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

  2. Study on the Surface Property of Surfactant Ionic Liquids Solutions

    Institute of Scientific and Technical Information of China (English)

    Yan An GAO; Zhong Ni WANG; Jin ZHANG; Wan Guo HOU; Gan Zuo LI; Bu Xing HAN; Feng Feng Lü; Gao Yong ZHANG

    2005-01-01

    The surfactant TX-100 can be dissolved in ionic liquid bmimPF6 and decrease the surface tension of 1-butyl-3-methylimidazolium hexafluorophosphate (bmimPF6) solutions. Here,we confirmed that in this new system, the pure solvents need rearrangement at the air-water interface at the initial stage. The dynamic surface tension (DST) study shows that at the initial adsorption stage, the adsorption model of surfactant accords with the diffusion-controlled adsorption mechanism, and the dilute ionic liquids solutions is further close to the diffusion-controlled adsorption.

  3. Recent advances of ionic liquids and polymeric ionic liquids in capillary electrophoresis and capillary electrochromatography.

    Science.gov (United States)

    Tang, Sheng; Liu, Shujuan; Guo, Yong; Liu, Xia; Jiang, Shengxiang

    2014-08-29

    Ionic liquids (ILs) and polymeric ionic liquids (PILs) with unique and fascinating properties have drawn considerable interest for their use in separation science, especially in chromatographic techniques. In this article, significant contributions of ILs and PILs in the improvement of capillary electrophoresis and capillary electrochromatography are described, and a specific overview of the most relevant examples of their applications in the last five years is also given. Accordingly, some general conclusions and future perspectives in these areas are discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-04-01

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

  5. Ionic Liquids and Poly(ionic liquid)s for Morphosynthesis of Inorganic Materials.

    Science.gov (United States)

    Gao, Min-Rui; Yuan, Jiayin; Antonietti, Markus

    2016-10-06

    Ionic liquids (ILs) are new, innovative ionic solvents with rich physicochemical properties and intriguing pre-organized solvent structures; these materials offer great potential to impact across versatile areas of scientific research, for example, synthetic inorganic chemistry. Recent use of ILs as precursors, templates, and solvents has led to inorganic materials with tailored sizes, dimensionalities, morphologies, and functionalities that are difficult to obtain, or even not accessible, by using conventional solvents. Poly(ionic liquid)s (PILs) polymerized from IL monomers also raise the prospect of modifying nucleation, growth, and crystallization of inorganic objects, shedding light on the synthesis of a wide range of new materials. Here we survey recent key progress in using ILs and PILs in the field of synthetic inorganic chemistry. As well as highlighting the unique features of ILs and PILs that enable advanced synthesis, the effects of adding other solvents to the final products, along with the emerging applications of the created inorganic materials will be discussed. We finally provide an outlook on several development opportunities that could lead to new advancements of this exciting research field.

  6. Hydrogen production from glucose in ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-01

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

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

    Science.gov (United States)

    Cui, Guokai; Wang, Jianji; Zhang, Suojiang

    2016-07-25

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

  8. What Can we learn from Raman spectroscopy and model calculations on room temperature ionic liquids?

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    2006-01-01

    because the laser light easily passes through the glassy ampoule wall. The method is of course equally valuable for non-hygroscopic substances and mixtures and “green liquids”. Raman spectra - though characteristic for most compounds - do not give direct chemical evidence (species formulae, quantities...... for a better understanding of quite complicated chemical systems such as liquids. Many groups of researchers have recently started to use such a methodology: They compute structures and Raman spectra of various ions (the melts themselves and eventual solutes) and compare with the experimental spectra, hoping...

  9. A novel family of green ionic liquids with surface activities

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Ionic liquids have many unique properties as a new and remarkable class of environmental benign solvents,which promises widespread applications in industry and other areas. However,the ionic liq-uids with surface activity are rarely reported. In this work,a series of novel ionic liquids was synthe-sized by using N-methyl-2-pyrrolidone and alkyl bromide. The physical properties of this family of ionic liquids have been characterized,which shows that these compounds have ionic liquids characteristics,surface activity and biocompatibility.

  10. Biocatalysis in ionic liquids - advantages beyond green technology.

    Science.gov (United States)

    Park, Seongsoon; Kazlauskas, Romas J

    2003-08-01

    In recent years researchers have started to explore a particular class of organic solvents called room temperature ionic liquids - or simply ionic liquids - to identify their unique advantages for biocatalysis. Because they lack vapour pressure, ionic liquids hold potential as green solvents. Furthermore, unlike organic solvents of comparable polarity, they often do not inactivate enzymes, which simplifies reactions involving polar substrates such as sugars. Biocatalytic reactions in ionic liquids have also shown higher selectivity, faster rates and greater enzyme stability; however, these solvents present other challenges, among them difficulties in purifying ionic liquids and controlling water activity and pH, higher viscosity and problems with product isolation.

  11. Absorption and oxidation of nitrogen oxide in ionic liquids

    DEFF Research Database (Denmark)

    Kunov-Kruse, Andreas Jonas; Thomassen, Peter Langelund; Riisager, Anders

    2016-01-01

    . The nitric acid is absorbed in the ionic liquid up to approximately one mole HNO3 per mole of the ionic liquid due to the formation of hydrogen bonds. The nitric acid can be desorbed by heating, thereby regenerating the ionic liquid with excellent reproducibility. Here, time-resolved in-situ spectroscopic......A new strategy for capturing nitrogen oxide, NO, from the gas phase is presented. Dilute NO gas is removed from the gas phase by ionic liquids under ambient conditions. The nitrate anion of the ionic liquid catalyzes the oxidation of NO to nitric acid by atmospheric oxygen in the presence of water...

  12. Interactions in ion pairs of protic ionic liquids: comparison with aprotic ionic liquids.

    Science.gov (United States)

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

    2013-11-01

    The stabilization energies for the formation (E(form)) of 11 ion pairs of protic and aprotic ionic liquids were studied by MP2/6-311G** level ab initio calculations to elucidate the difference between the interactions of ions in protic ionic liquids and those in aprotic ionic liquids. The interactions in the ion pairs of protic ionic liquids (diethylmethylammonium [dema] and dimethylpropylammonium [dmpa] based ionic liquids) are stronger than those of aprotic ionic liquids (ethyltrimethylammonium [etma] based ionic liquids). The E(form) for the [dema][CF3SO3] and [dmpa][CF3SO3] complexes (-95.6 and -96.4 kcal/mol, respectively) are significantly larger (more negative) than that for the [etma][CF3SO3] complex (-81.0 kcal/mol). The same trend was observed for the calculations of ion pairs of the three cations with the Cl(-), BF4(-), TFSA(-) anions. The anion has contact with the N-H bond of the dema(+) or dmpa(+) cations in the most stable geometries of the dema(+) and dmpa(+) complexes. The optimized geometries, in which the anions locate on the counter side of the cations, are 11.0-18.0 kcal/mol less stable, which shows that the interactions in the ions pairs of protic ionic liquids have strong directionality. The E(form) for the less stable geometries for the dema(+) and dmpa(+) complexes are close to those for the most stable etma(+) complexes. The electrostatic interaction, which is the major source of the attraction in the ion pairs, is responsible for the directionality of the interactions and determining the magnitude of the interaction energy. Molecular dynamic simulations of the [dema][TFSA] and [dmpa][TFSA] ionic liquids show that the N-H bonds of the cations have contact with the negatively charged (oxygen and nitrogen) atoms of TFSA(-) anion, while the strong directionality of the interactions was not suggested from the simulation of the [etma][CF3SO3] ionic liquid.

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

    Directory of Open Access Journals (Sweden)

    Scott T. Handy

    2011-07-01

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

  14. Simultaneous Design of Ionic Liquids and Azeotropic Separation for Systems Containing Water

    DEFF Research Database (Denmark)

    Roughton, Brock; Camarda, Kyle V.; Gani, Rafiqul

    decomposition temperature. For any new synthesis-design problem involving aqueous azeotropes, all it now requires is to find the azeotropic composition of water and based on it, to identify an appropriate ionic liquid. Then the driving force is calculated for the azeotrope ionic liquid and based on it...... also designed as an integrated ionic liquid –extractive process design. Based on the separation desired (for example, remove the water), an ionic liquid solvent and the separation process is designed or selected from a library of designed solutions, based upon the methodology that has been developed...... to check for consistency. The ionic liquid UNIFAC model was developed for a selected set of ionic liquid cations and anions. Group volume and area parameters were calculated using a three step procedure. First, the rules of Bondi were used for any applicable molecular groups within the cation or anion...

  15. Antimicrobial Ionic Liquids with Fumarate Anion

    Directory of Open Access Journals (Sweden)

    Biyan He

    2013-01-01

    Full Text Available The shortage of new antimicrobial drugs and increasing resistance of microbe to antimicrobial agents have been of some concern. The formulation studies of new antibacterial and antifungal agents have been an active research field. Ionic liquids are known as designed liquids with controllable physical/chemical/biological properties and specific functions, which have been attracting considerable interest over recent years. However, no attention has been made towards the preparation of ionic liquids with antimicrobial activities. In this paper, a new class of ionic liquids (ILs with fumarate anion was synthesized by neutralization of aqueous 1-butyl-3-methylimidazolium hydroxide with equimolar monoester fumarate and characterized using NMR and thermal gravimetric analysis. The ILs are soluble in water and polar organic solvents and also soluble in the common ILs. The antimicrobial activities of the ILs are more active than commercially available potassium sorbate and are greatly affected by the alkyl chain length. The significant antimicrobial properties observed in this research suggest that the ILs may have potential applications in the modern biotechnology.

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

    Science.gov (United States)

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

    2015-11-01

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

  17. Design of Phosphonated Imidazolium-Based Ionic Liquids Grafted on γ-Alumina: Potential Model for Hybrid Membranes

    Science.gov (United States)

    Pizzoccaro, Marie-Alix; Drobek, Martin; Petit, Eddy; Guerrero, Gilles; Hesemann, Peter; Julbe, Anne

    2016-01-01

    Imidazolium bromide-based ionic liquids bearing phosphonyl groups on the cationic part were synthesized and grafted on γ-alumina (γ-Al2O3) powders. These powders were prepared as companion samples of conventional mesoporous γ-alumina membranes, in order to favor a possible transfer of the results to supported membrane materials, which could be used for CO2 separation applications. Effective grafting was demonstrated using energy dispersive X-ray spectrometry (EDX), N2 adsorption measurements, fourier transform infrared spectroscopy (FTIR), and special attention was paid to 31P and 13C solid state nuclear magnetic resonance spectroscopy (NMR). PMID:27472321

  18. Design of Phosphonated Imidazolium-Based Ionic Liquids Grafted on γ-Alumina: Potential Model for Hybrid Membranes

    Directory of Open Access Journals (Sweden)

    Marie-Alix Pizzoccaro

    2016-07-01

    Full Text Available Imidazolium bromide-based ionic liquids bearing phosphonyl groups on the cationic part were synthesized and grafted on γ-alumina (γ-Al2O3 powders. These powders were prepared as companion samples of conventional mesoporous γ-alumina membranes, in order to favor a possible transfer of the results to supported membrane materials, which could be used for CO2 separation applications. Effective grafting was demonstrated using energy dispersive X-ray spectrometry (EDX, N2 adsorption measurements, fourier transform infrared spectroscopy (FTIR, and special attention was paid to 31P and 13C solid state nuclear magnetic resonance spectroscopy (NMR.

  19. Design of Phosphonated Imidazolium-Based Ionic Liquids Grafted on γ-Alumina: Potential Model for Hybrid Membranes.

    Science.gov (United States)

    Pizzoccaro, Marie-Alix; Drobek, Martin; Petit, Eddy; Guerrero, Gilles; Hesemann, Peter; Julbe, Anne

    2016-07-27

    Imidazolium bromide-based ionic liquids bearing phosphonyl groups on the cationic part were synthesized and grafted on γ-alumina (γ-Al₂O₃) powders. These powders were prepared as companion samples of conventional mesoporous γ-alumina membranes, in order to favor a possible transfer of the results to supported membrane materials, which could be used for CO₂ separation applications. Effective grafting was demonstrated using energy dispersive X-ray spectrometry (EDX), N₂ adsorption measurements, fourier transform infrared spectroscopy (FTIR), and special attention was paid to (31)P and (13)C solid state nuclear magnetic resonance spectroscopy (NMR).

  20. Simultaneous Design of Ionic Liquids and Azeotropic Separation for Systems Containing Water

    DEFF Research Database (Denmark)

    Roughton, Brock; Camarda, Kyle V.; Gani, Rafiqul

    to check for consistency. The ionic liquid UNIFAC model was developed for a selected set of ionic liquid cations and anions. Group volume and area parameters were calculated using a three step procedure. First, the rules of Bondi were used for any applicable molecular groups within the cation or anion...... decomposition temperature. For any new synthesis-design problem involving aqueous azeotropes, all it now requires is to find the azeotropic composition of water and based on it, to identify an appropriate ionic liquid. Then the driving force is calculated for the azeotrope ionic liquid and based on it...

  1. Dissolution enthalpies of cellulose in ionic liquids.

    Science.gov (United States)

    Parviainen, Helena; Parviainen, Arno; Virtanen, Tommi; Kilpeläinen, Ilkka; Ahvenainen, Patrik; Serimaa, Ritva; Grönqvist, Stina; Maloney, Thaddeus; Maunu, Sirkka Liisa

    2014-11-26

    In this work, interactions between cellulose and ionic liquids were studied calorimetrically and by optical microscopy. Two novel ionic liquids (1,5-Diazabicyclo[4.3.0]non-5-enium propionate and N-methyl-1,5-diazabicyclo[4.3.0]non-5-enium dimethyl phosphate) and 1-ethyl-3-methylimidazolium acetate-water mixtures were used as solvents. Optical microscopy served in finding the extent of dissolution and identifying the dissolution pattern of the cellulose sample. Calorimetric studies identified a peak relating to dissolution of cellulose in solvent. The transition did, however, not indicate complete dissolution, but rather dissolution inside fibre or fibrils. This method was used to study differences between four cellulose samples with different pretreatment or origins.

  2. Oxidative depolymerization of lignin in ionic liquids.

    Science.gov (United States)

    Stärk, Kerstin; Taccardi, Nicola; Bösmann, Andreas; Wasserscheid, Peter

    2010-06-21

    Beech lignin was oxidatively cleaved in ionic liquids to give phenols, unsaturated propylaromatics, and aromatic aldehydes. A multiparallel batch reactor system was used to screen different ionic liquids and metal catalysts. Mn(NO(3))(2) in 1-ethyl-3-methylimidazolium trifluoromethanesulfonate [EMIM][CF(3)SO(3)] proved to be the most effective reaction system. A larger scale batch reaction with this system in a 300 mL autoclave (11 g lignin starting material) resulted in a maximum conversion of 66.3 % (24 h at 100 degrees C, 84x10(5) Pa air). By adjusting the reaction conditions and catalyst loading, the selectivity of the process could be shifted from syringaldehyde as the predominant product to 2,6-dimethoxy-1,4-benzoquinone (DMBQ). Surprisingly, the latter could be isolated as a pure substance in 11.5 wt % overall yield by a simple extraction/crystallization process.

  3. Supported ionic liquids fundamentals and applications

    CERN Document Server

    Fehrmann, Rasmus; Haumann, Marco

    2013-01-01

    This unique book gives a timely overview about the fundamentals and applications of supported ionic liquids in modern organic synthesis. It introduces the concept and synthesis of SILP materials and presents important applications in the field of catalysis (e.g. hydroformylation, hydrogenation, coupling reactions, fine chemical synthesis) as well as energy technology and gas separation. Written by pioneers in the field, this book is an invaluable reference book for organic chemists in academia or industry.

  4. Self-propelled chemotactic ionic liquid droplets

    OpenAIRE

    Francis, Wayne; Fay, Cormac; Florea, Larisa; Diamond, Dermot

    2015-01-01

    Herein we report the chemotactic behaviour of self-propelled droplets composed solely of the ionic liquid trihexyl(tetradecyl)phosphonium chloride ([P6,6,6,14][Cl]). These droplets spontaneously move along an aqueous-air boundary in the direction of chloride gradients to specific destinations due to asymmetric release of [P6,6,6,14]+ cationic surfactant from the droplet into the aqueous phase.

  5. INTERACTION OF IONIC LIQUIDS WITH POLYSACCHARIDES

    OpenAIRE

    2008-01-01

    The use of ionic liquids (ILs) in the field of cellulose chemistry opens up a broad variety of new opportunities. Besides the regeneration of the biopolymer to fibers, films, and beads, this new class of cellulose solvents is particularly useful for the homogeneous chemical modification of the polysaccharide. In this review, the potential of ILs as a reaction medium for the homogeneous cellulose functionalization is discussed. It is shown that numerous conversions proceed very efficiently and...

  6. Supported ionic liquids: versatile reaction and separation media

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Haumann, Marco;

    2006-01-01

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

  7. Two Coexisting Liquid Phases in Switchable Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Juan; Lao, David; Sui, Xiao; Zhou, Yufan; Nune, Satish K.; Ma, Xiang; Troy, Tyler; Ahmed, Musahid; Zhu, Zihua; Heldebrant, David J.; Yu, Xiao-Ying

    2017-08-30

    In situ time-of-flight secondary ion mass spectrometry (ToF-SIMS) coupled with a vacuum compatible microfluidic reactor, System for Analysis at Liquid Vacuum Interface (SALVI), has enabled the first spatial mapping of the switchable ionic liquids (SWILs) derived from 1,8-diazabicycloundec-7-ene (DBU) and 1-hexanol. As predicted by molecular dynamic simulations, our molecular imaging results confirmed a dynamic heterogeneous molecular structure with ionic regions (high CO2 concentration) coexisting with non-ionic regions (no CO2) where stoichiometry would indicate otherwise. Chemical speciation was also found to be more complex than initially thought, with spectral principal component analysis identifying dimers that ultimately highlight a highly complex molecular structure unique to SWILs. The spatial chemical mapping enabled by ToF-SIMS and SALVI advances the understanding of how the heterogeneous molecular structure impacts the dynamic physical and thermodynamic properties or SWILs.

  8. Extraction of proteins with ionic liquid aqueous two-phase system based on guanidine ionic liquid.

    Science.gov (United States)

    Zeng, Qun; Wang, Yuzhi; Li, Na; Huang, Xiu; Ding, Xueqin; Lin, Xiao; Huang, Songyun; Liu, Xiaojie

    2013-11-15

    Eight kinds of green ionic liquids were synthesized, and an ionic liquid aqueous two-phase system (ILATPS) based on 1,1,3,3-tetramethylguandine acrylate (TMGA) guanidine ionic liquid was first time studied for the extraction of proteins. Single factor experiments proved that the extraction efficiency of bovine serum albumin (BSA) was influenced by the mass of IL, K2HPO4 and BSA, also related to the separation time and temperature. The optimum conditions were determined through orthogonal experiment by the five factors described above. The results showed that under the optimum conditions, the extraction efficiency could reach up to 99.6243%. The relative standard deviations (RSD) of extraction efficiencies in precision experiment, repeatability experiment and stability experiment were 0.8156% (n=5), 1.6173% (n=5) and 1.6292% (n=5), respectively. UV-vis and FT-IR spectra confirmed that there were no chemical interactions between BSA and ionic liquid in the extraction process, and the conformation of the protein was not changed after extraction. The conductivity, DLS and TEM were combined to investigate the microstructure of the top phase and the possible mechanism for the extraction. The results showed that hydrophobic interaction, hydrogen bonding interaction and the salt out effect played important roles in the transferring process, and the aggregation and embrace phenomenon was the main driving force for the separation. All these results proved that guanidine ionic liquid-based ATPSs have the potential to offer new possibility in the extraction of proteins.

  9. Periodicity and map for discovery of new ionic liquids

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    There is virtually no limit in the number of ionic liquids. How to select proper ones or discover new ones with desirable properties in such a large pool of ionic liquids? It has become a bottleneck in the researches and applications of ionic liquids. Mendeleev's periodic law states that the properties of the elements vary periodically. Whether the similar regularity exists among ionic or molecular fragments of compounds is an interesting topic. In this work, we attempted to establish a periodicity and draw a "map" of ionic liquids for providing definite guidance to discover, design, and select the proper ionic liquids rather than trial-and-error. If a complete regularity of the system of ionic liquids can be finally established in the future, we are near an epoch in understanding the existing differences and the reasons for the similarity of the ions or molecular fragments.

  10. Design and Evaluation of Ionic Liquids as Novel CO2 Absorbents

    Energy Technology Data Exchange (ETDEWEB)

    Edward Maginn

    2007-07-15

    This is the final report for project DE-FG26-04NT42122 'Design and Evaluation of Ionic Liquids as Novel CO{sub 2} Absorbents'. The objective of this 'breakthrough concepts' project was to investigate the feasibility of using ionic liquids for post-combustion CO{sub 2} capture and obtain a fundamental understanding of the solubility of CO{sub 2} and other components present in flue gas in ionic liquids. Our plan was to obtain information on how composition and structure of ionic liquid molecules affected solubility and other important physical properties via two major efforts: synthesis and experimental measurements and molecular simulation. We also planned to perform preliminary systems modeling study to assess the economic viability of a process based on ionic liquids. We accomplished all the milestones and tasks specified in the original proposal. Specifically, we carried out extensive quantum and classical atomistic-level simulations of a range of ionic liquids. These calculations provided detailed information on how the chemical composition of ionic liquids affects physical properties. We also learned important factors that govern CO{sub 2} solubility. Using this information, we synthesized or acquired 33 new ionic liquids. Many of these had never been made before. We carried out preliminary tests on all of these compounds, and more extensive tests on those that looked most promising for CO{sub 2} capture. We measured CO{sub 2} solubility in ten of these ionic liquids. Through our efforts, we developed an ionic liquid that has a CO{sub 2} solubility 2.6 times greater than the 'best' ionic liquid available to us at the start of the project. Moreover, we demonstrated that SO{sub 2} is also extremely soluble in ionic liquids, opening up the possibility of using ionic liquids to remove both SO{sub 2} and CO{sub 2} from flue gas. In collaboration with Trimeric Inc., a preliminary systems analysis was conducted and the results used to

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

    OpenAIRE

    Handy, Scott T.; Steven Bornemann

    2011-01-01

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

  12. Application of ionic liquid in liquid phase microextraction technology.

    Science.gov (United States)

    Han, Dandan; Tang, Baokun; Lee, Yu Ri; Row, Kyung Ho

    2012-11-01

    Ionic liquids (ILs) are novel nonmolecular solvents. Their unique properties, such as high thermal stability, tunable viscosity, negligible vapor pressure, nonflammability, and good solubility for inorganic and organic compounds, make them excellent candidates as extraction media for a range of microextraction techniques. Many physical properties of ILs can be varied, and the structural design can be tuned to impart the desired functionality and enhance the analyte extraction selectivity, efficiency, and sensitivity. This paper provides an overview of the applications of ILs in liquid phase microextraction technology, such as single-drop microextraction, hollow fiber based liquid phase microextraction, and dispersive liquid-liquid microextraction. The sensitivity, linear calibration range, and detection limits for a range of target analytes in the methods were analyzed to determine the advantages of ILs in liquid phase microextraction. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Simultaneous design of ionic liquid entrainers and energy efficient azeotropic separation processes

    DEFF Research Database (Denmark)

    Roughton, Brock C.; Christian, Brianna; White, John;

    2012-01-01

    A methodology and tool set for the simultaneous design of ionic liquid entrainers and azeotropic separation processes is presented. By adjusting the cation, anion, and alkyl chain length on the cation, the properties of the ionic liquid can be adjusted to design an entrainer for a given azeotropic...... mixture. Several group contribution property models available in literature have been used along with a newly developed group contribution solubility parameter model and UNIFAC model for ionic liquids (UNIFAC-IL). For a given azeotropic mixture, an ionic liquid is designed using a computer-aided molecular...... material and energy requirements when compared to an ionic liquid known to experimentally break a given azeotrope but not designed using CAMD methods. The acetone–methanol and ethanol–water azeotropes are provided as examples....

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

    Science.gov (United States)

    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.

  15. Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure.

    Science.gov (United States)

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

    2008-10-28

    Accurate design of processes based on ionic liquids (ILs) requires knowledge of the phase behavior of the systems involved. In this work, the truncated perturbed chain polar statistical associating fluid theory (tPC-PSAFT) is used to correlate the phase behavior of binary and ternary IL mixtures. Both non-polar and polar solvents are examined, while methyl imidazolium ILs are used in all cases. tPC-PSAFT accounts explicitly for weak dispersion interactions, highly directive polar interactions between permanent dipolar and quadrupolar molecules and association between hydrogen bonding molecules. For mixtures of non-polar solvents, tPC-PSAFT predicts accurately the binary mixture data. For the case of polar solvents, a binary interaction parameter is fitted to the experimental data and the agreement between experiment and correlation is very good in all cases.

  16. Ionic Liquids in Polymer Design: From Energy to Health

    Science.gov (United States)

    2016-10-19

    SECURITY CLASSIFICATION OF: ACS Symposium: Ionic Liquids in Polymer Design: From Energy to Health at Fall 2015 ACS Meeting in Boston, MA The...combination of ionic liquids and polymers has emerged as an active field of exploration in polymer science, where new materials have be realized for...2016 Final Report: Ionic Liquids in Polymer Design: From Energy to Health The views, opinions and/or findings contained in this report are those of

  17. Basicity of pyridine and some substituted pyridines in ionic liquids.

    Science.gov (United States)

    Angelini, Guido; De Maria, Paolo; Chiappe, Cinzia; Fontana, Antonella; Pierini, Marco; Siani, Gabriella

    2010-06-04

    The equilibrium constants for ion pair formation of some pyridines have been evaluated by spectrophotometric titration with trifluoroacetic acid in different ionic liquids. The basicity order is the same in ionic liquids and in water. The substituent effect on the equilibrium constant has been discussed in terms of the Hammett equation. Pyridine basicity appears to be less sensitive to the substituent effect in ionic liquids than in water.

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

    DEFF Research Database (Denmark)

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

    2010-01-01

    A corresponding-states form of the generalized van der Waals equation, previously developed for mixtures of an ionic liquid and a supercritical solute, is here extended to mixtures including an ionic liquid and a solvent (water or organic). Group contributions to characteristic parameters...... solvents. Here we show results for heavier and more-than-sparingly solutes such as carbon dioxide and propane in ionic liquids....

  19. Different roles of ionic liquids in lithium batteries

    Science.gov (United States)

    Eftekhari, Ali; Liu, Yang; Chen, Pu

    2016-12-01

    Ionic liquids are often named solvents of the future because of flexibility in design. This statement has given credence that ionic liquids should simply replace the problematic electrolytes of lithium batteries. As a result, the promising potentials of ionic liquids in electrochemical systems are somehow obscured by inappropriate expectations. We summarize recent advancements in this field, especially, ionic liquids as standalone electrolytes, additives, plasticizers in gel polymer electrolytes, and binders; and attempt to shed light on the future pathway of this area of research. Ionic liquids are not dilute media to serve as pure solvents in electrochemical systems where mobility of ions is the priority; instead, they can contribute to the ionic conductivity of various components in a battery system. Owing to the enormous possibilities of ionic liquids, it is not merely a matter of choice. Ionic liquids can be used to design novel types of electrolytes for a new generation of lithium batteries. A promising possibility, which is still at a very early stage, is supercooled ionic liquid crystals for fast ion diffusion through the guided channels of a liquid-like medium. This, of course, will be a breakthrough in the realm of electrochemistry, far beyond lithium battery field, when materialized.

  20. Ionic liquid and nanoparticle hybrid systems: Emerging applications.

    Science.gov (United States)

    He, Zhiqi; Alexandridis, Paschalis

    2017-06-01

    Having novel electronic and optical properties that emanate from their nano-scale dimensions, nanoparticles are central to numerous applications. Ionic liquids can confer to nanoparticle chemical protection and physicochemical property enhancement through intermolecular interactions and can consequently improve the stability and reusability of nanoparticle for various operations. With an aim to combine the novel properties of nanoparticles and ionic liquids, different structures have been generated, based on a balance of several intermolecular interactions. Such ionic liquid and nanoparticle hybrids are showing great potential in diverse applications. In this review, we first introduce various types of ionic liquid and nanoparticle hybrids, including nanoparticle colloidal dispersions in ionic liquids, ionic liquid-grafted nanoparticles, and nanoparticle-stabilized ionic liquid-based emulsions. Such hybrid materials exhibit interesting synergisms. We then highlight representative applications of ionic liquid and nanoparticle hybrids in the catalysis, electrochemistry and separations fields. Such hybrids can attain better stability and higher efficiency under a broad range of conditions. Novel and enhanced performance can be achieved in these applications by combining desired properties of ionic liquids and of nanoparticles within an appropriate hybrid nanostructure. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Improving Stability of Gasoline by Using Ionic Liquid Catalyst

    Institute of Scientific and Technical Information of China (English)

    Gao Zhirong; Liu Daosheng; Liao Kejian; Jian Heng

    2003-01-01

    The composition, characteristics and preparation of ionic liquids are presented. The factors influencing the stability of gasoline and the significance of improving gasoline stability are discussed. A novel way to improve the stability of gasoline by using ionic liquid catalyst is developed. The contents of olefin, basic nitrogen and sulfur in gasoline are determined and the optimal experimental conditions for improving gasoline stability are established.The ionic liquid catalyst, which is environmentally friendly, can reduce the olefin content in gasoline, and such process is noted for mild reaction conditions, simple operation, short reaction time, easy recycling of the ionic liquid catalyst and ready separation of products and catalyst.

  2. Lipid extraction from microalgae using a single ionic liquid

    Science.gov (United States)

    Salvo, Roberto Di; Reich, Alton; Dykes, Jr., H. Waite H.; Teixeira, Rodrigo

    2013-05-28

    A one-step process for the lysis of microalgae cell walls and separation of the cellular lipids for use in biofuel production by utilizing a hydrophilic ionic liquid, 1-butyl-3-methylimidazolium. The hydrophilic ionic liquid both lyses the microalgae cell walls and forms two immiscible layers, one of which consists of the lipid contents of the lysed cells. After mixture of the hydrophilic ionic liquid with a suspension of microalgae cells, gravity causes a hydrophobic lipid phase to move to a top phase where it is removed from the mixture and purified. The hydrophilic ionic liquid is recycled to lyse new microalgae suspensions.

  3. ZnO-ionic liquid nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Sanes, Jose; Carrion, Francisco-Jose [Grupo de Ciencia de Materiales e Ingenieria Metalurgica, Departamento de Ingenieria de Materiales y Fabricacion, Universidad Politecnica de Cartagena, Campus de la Muralla del Mar, C/ Doctor Fleming s/n, 30202 Cartagena (Spain); Bermudez, Maria-Dolores, E-mail: mdolores.bermudez@upct.es [Grupo de Ciencia de Materiales e Ingenieria Metalurgica, Departamento de Ingenieria de Materiales y Fabricacion, Universidad Politecnica de Cartagena, Campus de la Muralla del Mar, C/ Doctor Fleming s/n, 30202 Cartagena (Spain)

    2009-02-15

    The mixture of nanostructures derived from the surface interactions and reactivity of ZnO nanoparticles with the room-temperature ionic liquid (IL1) 1-hexyl, 3-methylimidazolium hexafluorophosphate has been studied. Results are discussed on the basis of transmission electron microscopy (TEM) observations, energy dispersive spectroscopy (EDS) analysis, X-ray diffraction (XRD) patterns and X-ray photoelectron spectroscopy (XPS) determinations. Size and morphology changes in ZnO nanoparticles by surface modification with IL1 are observed. ZnF{sub 2} crystalline needles due to reaction with the hexafluorophosphate anion are also formed.

  4. Design of Separation Processes with Ionic Liquids

    DEFF Research Database (Denmark)

    2015-01-01

    A systematic methodology for screening and designing of Ionic Liquid (IL)-based separation processes is proposed and demonstrated using several case studies of both aqueous and non-aqueous systems, for instance, ethanol + water, ethanol + hexane, benzene + hexane, and toluene + methylcyclohexane....... The best four ILs of each mixture are [mmim][dmp], [emim][bti], [emim][etso4] and [hmim][tcb], respectively. All of them were used as entrainers in the extractive distillation. A process simulation of each system was carried out and showed a lower both energy requirement and solvent usage as compared...

  5. INTERACTION OF IONIC LIQUIDS WITH POLYSACCHARIDES

    Directory of Open Access Journals (Sweden)

    Tim Liebert

    2008-05-01

    Full Text Available The use of ionic liquids (ILs in the field of cellulose chemistry opens up a broad variety of new opportunities. Besides the regeneration of the biopolymer to fibers, films, and beads, this new class of cellulose solvents is particularly useful for the homogeneous chemical modification of the polysaccharide. In this review, the potential of ILs as a reaction medium for the homogeneous cellulose functionalization is discussed. It is shown that numerous conversions proceed very efficiently and the ILs may be recycled. But it is also demonstrated that some side reactions have to be considered.

  6. Aprotic Heterocyclic Anion Triazolide Ionic Liquids - A New Class of Ionic Liquid Anion Accessed by the Huisgen Cycloaddition Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Robert [National Energy Technology Laboratory; Damodaran, Krishnan [Department of Chemistry, University of Pittsburgh; Luebke, David [National Energy Technology Laboratory; Nulwala, Hunaid [National Energy Technology Laboratory

    2013-04-18

    The triazole core is a highly versatile heterocyclic ring which can be accessed easily with the Cu(I)-catalyzed Huisgen cycloaddition reaction. Herein we present the preparation of ionic liquids that incorporate a 1,2,3-triazolide anion. These ionic liquids were prepared by a facile procedure utilizing a base-labile pivaloylmethyl group at the 1-position, which can act as precursors to 1H- 4-substituted 1,2,3-triazole. These triazoles were then subsequently converted into ionic liquids after deprotonation using an appropriate ionic liquid cation hydroxide. The densities and thermal decompositions of these ionic liquids were measured. These novel ionic liquids have potential applications in gas separations and in metal-free catalysis.

  7. Determination of four heterocyclic insecticides by ionic liquid dispersive liquid-liquid microextraction in water samples.

    Science.gov (United States)

    Liu, Yu; Zhao, Ercheng; Zhu, Wentao; Gao, Haixiang; Zhou, Zhiqiang

    2009-02-01

    A novel microextraction method termed ionic liquid dispersive liquid-liquid microextraction (IL-DLLME) combining high-performance liquid chromatography with diode array detection (HPLC-DAD) was developed for the determination of insecticides in water samples. Four heterocyclic insecticides (fipronil, chlorfenapyr, buprofezin, and hexythiazox) were selected as the model compounds for validating this new method. This technique combines extraction and concentration of the analytes into one step, and the ionic liquid was used instead of a volatile organic solvent as the extraction solvent. Several important parameters influencing the IL-DLLME extraction efficiency such as the volume of extraction solvent, the type and volume of disperser solvent, extraction time, centrifugation time, salt effect as well as acid addition were investigated. Under the optimized conditions, good enrichment factors (209-276) and accepted recoveries (79-110%) were obtained for the extraction of the target analytes in water samples. The calibration curves were linear with correlation coefficient ranged from 0.9947 to 0.9973 in the concentration level of 2-100 microg/L, and the relative standard deviations (RSDs, n=5) were 4.5-10.7%. The limits of detection for the four insecticides were 0.53-1.28 microg/L at a signal-to-noise ratio (S/N) of 3.

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

    Science.gov (United States)

    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

  9. Thermodynamic studies of ionic hydration and interactions for amino acid ionic liquids in aqueous solutions at 298.15 K.

    Science.gov (United States)

    Dagade, Dilip H; Madkar, Kavita R; Shinde, Sandeep P; Barge, Seema S

    2013-01-31

    Amino acid ionic liquids are a special class of ionic liquids due to their unique acid-base behavior, biological significance, and applications in different fields such as templates in synthetic chemistry, stabilizers for biological macromolecules, etc. The physicochemical properties of these ionic liquids can easily be altered by making the different combinations of amino acids as anion along with possible cation modification which makes amino acid ionic liquids more suitable to understand the different kinds of molecular and ionic interactions with sufficient depth so that they can provide fruitful information for a molecular level understanding of more complicated biological processes. In this context, volumetric and osmotic coefficient measurements for aqueous solutions containing 1-ethyl-3-methylimidazolium ([Emim]) based amino acid ionic liquids of glycine, alanine, valine, leucine, and isoleucine are reported at 298.15 K. From experimental osmotic coefficient data, mean molal activity coefficients of ionic liquids were estimated and analyzed using the Debye-Hückel and Pitzer models. The hydration numbers of ionic liquids in aqueous solutions were obtained using activity data. Pitzer ion interaction parameters are estimated and compared with other electrolytes reported in the literature. The nonelectrolyte contribution to the aqueous solutions containing ionic liquids was studied by calculating the osmotic second virial coefficient through an application of the McMillan-Mayer theory of solution. It has been found that the second osmotic virial coefficient which includes volume effects correlates linearly with the Pitzer ion interaction parameter estimated independently from osmotic data as well as the hydrophobicity of ionic liquids. The enthalpy-entropy compensation effect, explained using the Starikov-Nordén model of enthalpy-entropy compensation, and partial molar entropy analysis for aqueous [Emim][Gly] solutions are made by using experimental Gibb

  10. Extraction of S- and N-compounds from the mixture of hydrocarbons by ionic liquids as selective solvents.

    Science.gov (United States)

    Gabrić, Beata; Sander, Aleksandra; Cvjetko Bubalo, Marina; Macut, Dejan

    2013-01-01

    Liquid-liquid extraction is an alternative method that can be used for desulfurization and denitrification of gasoline and diesel fuels. Recent approaches employ different ionic liquids as selective solvents, due to their general immiscibility with gasoline and diesel, negligible vapor pressure, and high selectivity to sulfur- and nitrogen-containing compounds. For that reason, five imidazolium-based ionic liquids and one pyridinium-based ionic liquid were selected for extraction of thiophene, dibenzothiophene, and pyridine from two model solutions. The influences of hydrodynamic conditions, mass ratio, and number of stages were investigated. Increasing the mass ratio of ionic liquid/model fuel and multistage extraction promotes the desulfurization and denitrification abilities of the examined ionic liquids. All selected ionic liquids can be reused and regenerated by means of vacuum evaporation.

  11. Research progress of SO2 removal from flue gas by functionalized ionic liquids

    Directory of Open Access Journals (Sweden)

    Xinle SHI

    2017-02-01

    Full Text Available Functionalized ionic liquids are receiving increasing attention in the field of flue gas desulfurization due to its unique physical and chemical properties. Research progress on the field of SO2 removal by ionic liquids (ILs including guanidinium-based, amines-based and ether-based ILs is summarized. Industrial application of polymerization ILs and loaded ILs to desulfurization is reviewed. Relevant suggestions on industrial application of ionic liquids based on fundamental research are put forward. The first thing is to develop functional ionic liquid for desulfurization,and thus investigate and propose its desulfurization mechanism and model; the second is to carry out the research work on immobilized ionic liquid, and explore its recycling properties, thus prolonging its service life.

  12. Theoretical Study of Renewable Ionic Liquids in the Pure State and with Graphene and Carbon Nanotubes.

    Science.gov (United States)

    García, Gregorio; Atilhan, Mert; Aparicio, Santiago

    2015-09-17

    The N-ethyl-N-(furan-2-ylmethyl)ethanaminium dihydrogen phosphate ionic liquid was studied as a model of ionic liquids which can be produced from totally renewable sources. A computational study using both molecular dynamics and density functional theory methods was carried out. The properties, structuring, and intermolecular interactions (hydrogen bonding) of this fluid in the pure state were studied as a function of pressure and temperature. Likewise, the adsorption on graphene and the confinement between graphene sheets was also studied. The solvation of single walled carbon nanotubes in the selected ionic liquid was analyzed together with the behavior of ions confined inside these nanotubes. The reported results show remarkable properties for this fluid, which show that many of the most relevant properties of ionic liquids and their ability to interact with carbon nanosystems may be maintained and even improved using new families of renewable compounds instead of classic types of ionic liquids with worse environmental, toxicological, and economical profiles.

  13. Predictive thermodynamics for ionic solids and liquids.

    Science.gov (United States)

    Glasser, Leslie; Jenkins, H Donald Brooke

    2016-08-21

    The application of thermodynamics is simple, even if the theory may appear intimidating. We describe tools, developed over recent years, which make it easy to estimate often elusive thermodynamic parameter values, generally (but not exclusively) for ionic materials, both solid and liquid, as well as for their solid hydrates and solvates. The tools are termed volume-based thermodynamics (VBT) and thermodynamic difference rules (TDR), supplemented by the simple salt approximation (SSA) and single-ion values for volume, Vm, heat capacity, , entropy, , formation enthalpy, ΔfH°, and Gibbs formation energy, ΔfG°. These tools can be applied to provide values of thermodynamic and thermomechanical properties such as standard enthalpy of formation, ΔfH°, standard entropy, , heat capacity, Cp, Gibbs function of formation, ΔfG°, lattice potential energy, UPOT, isothermal expansion coefficient, α, and isothermal compressibility, β, and used to suggest the thermodynamic feasibility of reactions among condensed ionic phases. Because many of these methods yield results largely independent of crystal structure, they have been successfully extended to the important and developing class of ionic liquids as well as to new and hypothesised materials. Finally, these predictive methods are illustrated by application to K2SnCl6, for which known experimental results are available for comparison. A selection of applications of VBT and TDR is presented which have enabled input, usually in the form of thermodynamics, to be brought to bear on a range of topical problems. Perhaps the most significant advantage of VBT and TDR methods is their inherent simplicity in that they do not require a high level of computational expertise nor expensive high-performance computation tools - a spreadsheet will usually suffice - yet the techniques are extremely powerful and accessible to non-experts. The connection between formula unit volume, Vm, and standard thermodynamic parameters represents a

  14. Toxicity of ionic liquids prepared from biomaterials.

    Science.gov (United States)

    Gouveia, W; Jorge, T F; Martins, S; Meireles, M; Carolino, M; Cruz, C; Almeida, T V; Araújo, M E M

    2014-06-01

    In search of environmentally-friendly ionic liquids (ILs), 14 were prepared based on the imidazolium, pyridinium and choline cations, with bromide and several amino acids as anions. Good yields were obtained in the synthesis of pyridinium ILs and those prepared from choline and amino acids. Four of the ILs synthesized from choline and the amino acids arginine, glutamine, glutamic acid and cystine are described here for the first time. The toxicity of the synthesized ILs was checked against organisms of various levels of organization: the crustacean Artemia salina; Human cell HeLa (cervical carcinoma); and bacteria with different types of cell wall, Bacillus subtilis and Escherichia coli. The toxicity was observed to depend on both the cation and anion. Choline-amino acid ILs showed a remarkable low toxicity to A. salina and HeLa cell culture, ten times less than imidazolium and pyridinium ILs. None of ionic liquids exhibited marked toxicity to bacteria, and the effect was 2-3 orders of magnitude smaller than that of the antibiotic chloramphenicol. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. Cellulose multilayer Membranes manufacture with Ionic liquid

    KAUST Repository

    Livazovic, Sara

    2015-05-09

    Membrane processes are considered energy-efficient for water desalination and treatment. However most membranes are based on polymers prepared from fossil petrochemical sources. The development of multilayer membranes for nanofiltration and ultrafiltration, with thin selective layers of naturally available cellulose has been hampered by the availability of non-aggressive solvents. We propose the manufacture of cellulose membranes based on two approaches: (i) silylation, coating from solutions in tetrahydrofuran, followed by solvent evaporation and cellulose regeneration by acid treatment; (ii) casting from solution in 1-ethyl-3-methylimidazolum acetate ([C2mim]OAc), an ionic liquid, followed by phase inversion in water. By these methods porous supports could be easily coated with semi-crystalline cellulose. The membranes were hydrophilic with contact angles as low as 22.0°, molecular weight cut-off as low as 3000 g mol-1 with corresponding water permeance of 13.8 Lm−2 h−1 bar−1. Self-standing cellulose membranes were also manufactured without porous substrate, using only ionic liquid as green solvent. This membrane was insoluble in water, tetrahydrofuran, hexane, N,N-dimethylformamide, 1-methyl-2-pyrrolidinone and N,N-dimethylacetamide.

  16. Anodic dissolution of metals in ionic liquids

    Directory of Open Access Journals (Sweden)

    Andrew P. Abbott

    2015-12-01

    Full Text Available The anodic dissolution of metals is an important topic for battery design, material finishing and metal digestion. Ionic liquids are being used in all of these areas but the research on the anodic dissolution is relatively few in these media. This study investigates the behaviour of 9 metals in an ionic liquid [C4mim][Cl] and a deep eutectic solvent, Ethaline, which is a 1:2 mol ratio mixture of choline chloride and ethylene glycol. It is shown that for the majority of metals studied a quasi-passivation of the metal surface occurs, primarily due to the formation of insoluble films on the electrode surface. The behaviour of most metals is different in [C4mim][Cl] to that in Ethaline due in part to the differences in viscosity. The formation of passivating salt films can be decreased with stirring or by increasing the electrolyte temperature, thereby increasing ligand transport to the electrode surface.

  17. Predicting the partitioning of biological compounds between room-temperature ionic liquids and water by means of the solvation-parameter model.

    Science.gov (United States)

    Padró, Juan M; Ponzinibbio, Agustín; Mesa, Leidy B Agudelo; Reta, Mario

    2011-03-01

    The partition coefficients, P(IL/w), for different probe molecules as well as for compounds of biological interest between the room-temperature ionic liquids (RTILs) 1-butyl-3-methylimidazolium hexafluorophosphate, [BMIM][PF(6)], 1-hexyl-3-methylimidazolium hexafluorophosphate, [HMIM][PF(6)], 1-octyl-3-methylimidazolium tetrafluoroborate, [OMIM][BF(4)] and water were accurately measured. [BMIM][PF(6)] and [OMIM][BF(4)] were synthesized by adapting a procedure from the literature to a simpler, single-vessel and faster methodology, with a much lesser consumption of organic solvent. We employed the solvation-parameter model to elucidate the general chemical interactions involved in RTIL/water partitioning. With this purpose, we have selected different solute descriptor parameters that measure polarity, polarizability, hydrogen-bond-donor and hydrogen-bond-acceptor interactions, and cavity formation for a set of specifically selected probe molecules (the training set). The obtained multiparametric equations were used to predict the partition coefficients for compounds not present in the training set (the test set), most being of biological interest. Partial solubility of the ionic liquid in water (and water into the ionic liquid) was taken into account to explain the obtained results. This fact has not been deeply considered up to date. Solute descriptors were obtained from the literature, when available, or else calculated through commercial software. An excellent agreement between calculated and experimental log P(IL/w) values was obtained, which demonstrated that the resulting multiparametric equations are robust and allow predicting partitioning for any organic molecule in the biphasic systems studied.

  18. Rigidity and soft percolation in the glass transition of an atomistic model of ionic liquid, 1-ethyl-3-methyl imidazolium nitrate, from molecular dynamics simulations—Existence of infinite overlapping networks in a fragile ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Habasaki, Junko, E-mail: habasaki.j.aa@m.titech.ac.jp [Department of Innovative and Engineered Materials, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Nagatsuta 4259, Yokohama 226-8502 (Japan); Ngai, K. L. [CNR-IPCF Dipartimento di Fisica, Università di Pisa, Largo Bruno Pontecorvo 3, I-56127 Pisa (Italy)

    2015-04-28

    The typical ionic liquid, 1-ethyl-3-methyl imidazolium nitrate (EMIM-NO{sub 3}), was examined by molecular dynamics simulations of an all-atomistic model to show the characteristics of networks of cages and/or bonds in the course of vitrification of this fragile glass-former. The system shows changes of dynamics at two characteristic temperatures, T{sub B} (or T{sub c}) and the glass transition temperature T{sub g}, found in other fragile glass forming liquids [K. L. Ngai and J. Habasaki, J. Chem. Phys. 141, 114502 (2014)]. On decreasing temperature, the number of neighboring cation-anion pairs, N{sub B}, within the first minimum of the pair correlation function, g(r){sub min}, increases. On crossing T{sub B} (>T{sub g}), the system volume and diffusion coefficient both show changes in temperature dependence, and as usual at T{sub g}. The glass transition temperature, T{sub g}, is characterized by the saturation of the total number of “bonds,” N{sub B} and the corresponding decrease in degree of freedom, F = [(3N − 6) − N{sub B}], of the system consisting of N particles. Similar behavior holds for the other ion-ion pairs. Therefore, as an alternative, the dynamics of glass transition can be interpreted conceptually by rigidity percolation. Before saturation occurring at T{sub g}, the number of bonds shows a remarkable change at around T{sub B}. This temperature is associated with the disappearance of the loosely packed coordination polyhedra of anions around cation (or vice versa), related to the loss of geometrical freedom of the polyhedra, f{sub g}, of each coordination polyhedron, which can be defined by f{sub g} = [(3N{sub V} − 6) − N{sub b}]. Here, 3N{sub v} is the degree of freedom of N{sub V} vertices of the polyhedron, and N{sub b} is number of fictive bonds. The packing of polyhedra is characterized by the soft percolation of cages, which allows further changes with decreasing temperature. The power spectrum of displacement of the central ion

  19. Dynamic electrowetting and dewetting of ionic liquids at a hydrophobic solid-liquid interface.

    Science.gov (United States)

    Li, Hua; Paneru, Mani; Sedev, Rossen; Ralston, John

    2013-02-26

    The dynamic electrowetting and dewetting of ionic liquids are investigated with high-speed video microscopy. Five imidazolium-based ionic liquids ([BMIM]BF(4), [BMIM]PF(6), [BMIM]NTf(2), [HMIM]NTf(2), and [OMIM]BF(4)) are used as probe liquids. Droplets of ionic liquids are first spread on an insulated electrode by applying an external voltage (electrowetting) and then allowed to retract (dewetting) when the voltage is switched off. The base area of the droplet varies exponentially during both the electrowetting and retraction processes. The characteristic time increases with the viscosity of the ionic liquid. The electrowetting and retraction kinetics (dynamic contact angle vs contact line speed) can be described by the hydrodynamic or the molecular-kinetic model. Energy dissipation occurs by viscous and molecular routes with a larger proportion of energy dissipated at the three-phase contact line when the liquid meniscus retracts from the solid surface. The outcomes from this research have implications for the design and control of electro-optical imaging systems, microfluidics, and fuel cells.

  20. Corrosion behavior of construction materials for ionic liquid hydrogen compressor

    DEFF Research Database (Denmark)

    Arjomand Kermani, Nasrin; Petrushina, Irina; Nikiforov, Aleksey Valerievich

    2016-01-01

    The corrosion behavior of various commercially available stainless steels and nickel-based alloys as possible construction materials for components which are in direct contact with one of five different ionic liquids was evaluated. The ionic liquids, namely: 1-ethyl-3-methylimidazolium triflate, 1...... liquid hydrogen compressor. An electrochemical cell was specially designed, and steady-state cyclic voltammetry was used to measure the corrosion resistance of the alloys in the ionic liquids at 23 °C, under atmospheric pressure. The results showed a very high corrosion resistance and high stability...... for all the alloys tested. The two stainless steels, AISI 316L and AISI 347 showed higher corrosion resistance compared to AISI 321 in all the ionic liquids tested. It was observed that small addition of molybdenum, tantalum, and niobium to the alloys increased the corrosion stability in the ionic liquids...

  1. Single-Molecule Electrochemical Gating in Ionic Liquids

    DEFF Research Database (Denmark)

    Kay, Nicola J.; Higgins, Simon J.; Jeppesen, Jan O.

    2012-01-01

    The single-molecular conductance of a redox active molecular bridge has been studied in an electrochemical single-molecule transistor configuration in a room-temperature ionic liquid (RTIL). The redox active pyrrolo-tetrathiafulvalene (pTTF) moiety was attached to gold contacts at both ends through...... −(CH2)6S– groups, and gating of the redox state was achieved with the electrochemical potential. The water-free, room-temperature, ionic liquid environment enabled both the monocationic and the previously inaccessible dicationic redox states of the pTTF moiety to be studied in the in situ scanning...... and decreases again as the second redox process is passed. This is described as an “off–on–off–on–off” conductance switching behavior. This molecular conductance vs electrochemical potential relation could be modeled well as a sequential two-step charge transfer process with full or partial vibrational...

  2. Advanced Ionic Liquid Monopropellant for Payload Ascent Vehicles Project

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to develop a monopropellant replacement for hydrazine using eutectic mixtures of ionic liquids (EILs). These liquids offer us the ability to tailor fluid...

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

    Energy Technology Data Exchange (ETDEWEB)

    Ogihara, Wataru; Yoshizawa, Masahiro; Ohno Hiroyuki [Tokyo University of Agriculture and Technology (Japan). Dept. of Biotechnology; Sun, Jiazeng; Forsyth, M. [Monash University, Clayton (Australia). School of Materials Engineering; MacFarlane, D.R. [Monash University, Clayton (Australia). School of Chemistry

    2004-04-30

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

  4. New experimental density data and soft-SAFT models of alkylimidazolium ([C(n)C₁im]⁺) chloride (Cl⁻), methylsulfate ([MeSO₄]⁻), and dimethylphosphate ([Me₂PO₄]⁻) based ionic liquids.

    Science.gov (United States)

    Mac Dowell, N; Llovell, F; Sun, N; Hallett, J P; George, A; Hunt, P A; Welton, T; Simmons, B A; Vega, L F

    2014-06-12

    Ionic liquids have been shown to have application in several areas of importance in the context of sustainable industrial activity. One application of particular interest is the ability of certain ionic liquids to dissolve biomass. This clearly marks them as useful materials with application within biorefineries. In this contribution, we present new coarse-grained soft-SAFT models and experimental density data of chloride (Cl(-)), methylsulfate ([MeSO4](-)), and dimethylphosphate ([Me2PO4](-)) based ionic liquids which are relevant for biomass deconstruction processes. Model parameters were obtained by fitting to pure component temperature density data, and the models were subsequently tested by assessing their ability to accurately calculate viscosity and interfacial surface tension. We also developed models of mixtures of the ionic liquids with water and short-chain linear alcohols. We decomposed the contributions to the excess Gibbs energy of mixing to chemical and structural contributions, and used this to provide some insight into the driving forces for solubility of molecular species in these ionic liquids.

  5. In Silico Modeling of Hundred Thousand Experiments for Effective Selection of Ionic Liquid Phase Combinations in Comprehensive Two-Dimensional Gas Chromatography.

    Science.gov (United States)

    Nolvachai, Yada; Kulsing, Chadin; Marriott, Philip J

    2016-02-16

    The selection of the best column sets is one of the most tedious processes in comprehensive two-dimensional gas chromatography (GC × GC) where a multitude of choices of column sets could be employed for an individual sample analysis. We demonstrate analyte/stationary phase dependent selection approaches based on the linear solvation energy relationship (LSER), which is a reliable concept for the study of interaction mechanisms and retention prediction with a large database pool of columns and compounds. Good correlations between our predicted results, with experimental results reported in the literature, were obtained. The developed approaches were applied to the simulation of 157 920 individual experiments in GC × GC, focusing on the application of 30 nonionic liquid and 111 ionic liquid (IL) stationary phases for separation of some example sets of model compounds present in practical samples. The best column sets for each sample separation could then be extracted according to maximizing orthogonality, which estimates the quality of separation.

  6. Preparation of Ionic Liquid-based Vilsmier Reagent from Novel Multi-purpose Dimethyl Formamide-like Ionic Liquid and Its Application

    Institute of Scientific and Technical Information of China (English)

    Hullio, Ahmed Ali; Mastoi, G. M.

    2012-01-01

    In continuation of research to explore the applied potential of DMF-like ionic liquid, the ionic liquid version of N,N-dimethyliminiumchloride (Vilsmier reagent) has been synthesized from DMF-like ionic liquid and tested effectively for its capacity to achieve more useful organic transformations. The results show that DMF-like ionic liquid is world's first task specific ionic liquid which has catalyzed numerous diverse type of reaction and is multipurpose in its application. Thus a new term for this DMF-like ionic liquid has been coined that is DMF-like "multipurpose" ionic liquid.

  7. Polarity of the interface in ionic liquid in oil microemulsions.

    Science.gov (United States)

    Andújar-Matalobos, María; García-Río, Luis; López-García, Susana; Rodríguez-Dafonte, Pedro

    2011-11-01

    Ionic liquid based microemulsions were characterized by absorption solvatochromic shifts, (1)H NMR and kinetic measurements in order to investigate the properties of the ionic liquid within the restricted geometry provided by microemulsions and the interactions of the ionic liquid with the interface. Experimental results show a significant difference between the interfaces of normal water and the new ionic liquid microemulsions. Absorption solvatochromic shift experiments and kinetic studies on the aminolysis of 4-nitrophenyl laurate by n-decylamine show that the polarity at the interface of the ionic liquid in oil microemulsions (IL/O) is higher than at the interface of water in oil microemulsions (W/O) despite the fact that the polarity of [bmim][BF(4)(-)] is lower than the polarity of water. (1)H NMR experiments showed that an increase in the ionic liquid content of the microemulsion led to an increase in the interaction between [bmim][BF(4)(-)] and TX-100. The reason for the higher polarity of the microemulsions with the ionic liquid can be explained in terms of the incorporation of higher levels of the ionic liquid at the interface of the microemulsions, as compared to water in the traditional systems.

  8. Ionic Liquids and Green Chemistry: A Lab Experiment

    Science.gov (United States)

    Stark, Annegret; Ott, Denise; Kralisch, Dana; Kreisel, Guenter; Ondruschka, Bernd

    2010-01-01

    Although ionic liquids have been investigated as solvents for many applications and are starting to be used in industrial processes, only a few lab experiments are available to introduce students to these materials. Ionic liquids have been discussed in the context of green chemistry, but few investigations have actually assessed the degree of…

  9. Brownian dynamics determine universality of charge transport in ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Sangoro, Joshua R [ORNL; Iacob, Ciprian [University of Leipzig; Mierzwa, Michal [University of Silesia, Uniwersytecka, Katowice, Poland; Paluch, Marian [University of Silesia, Uniwersytecka, Katowice, Poland; Kremer, Friedrich [University of Leipzig

    2012-01-01

    Broadband dielectric spectroscopy is employed to investigate charge transport in a variety of glass-forming ionic liquids over wide frequency, temperature and pressure ranges. Using a combination of Einstein, Einstein-Smoluchowski, and Langevin relations, the observed universal scaling of charge transport in ionic liquids is traced back to the dominant role of Brownian dynamics.

  10. Combined reactions and separations using ionic liquids and carbon dioxide

    NARCIS (Netherlands)

    Kroon, M.C.

    2006-01-01

    A new and general type of process for the chemical industry is presented using ionic liquids and supercritical carbon dioxide as combined reaction and separation media. In this process, the carbon dioxide pressure controls the miscibility of reactants, products, catalyst and ionic liquid, enabling f

  11. Synthesis and Characterization of Dual Acidic Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    Xiao Hua WANG; Guo Hong TAO; Zi Yan ZHANG; Yuan KOU

    2005-01-01

    Novel ionic liquids with dual acidity, of which the cation contains Bronsted acidity and anions contain Lewis acidity were synthesized. These ionic liquids obtained were identified by NMR,FT-IR, SDT and FAB-MS. Their acidities were determined by pyridine probe on IR spectrography.

  12. CO2 sorption by supported amino acid ionic liquids

    DEFF Research Database (Denmark)

    2014-01-01

    The present invention concerns the absorption and desorption behaviour of carbon dioxide (CO2) using ionic liquids derived from amino acids adsorbed on porous carrier materials.......The present invention concerns the absorption and desorption behaviour of carbon dioxide (CO2) using ionic liquids derived from amino acids adsorbed on porous carrier materials....

  13. Absorption and oxidation of no in ionic liquids

    DEFF Research Database (Denmark)

    2013-01-01

    The present invention concerns the absorption and in situ oxidation of nitric oxide (NO) in the presence of water and oxygen in ionic liquid compositions at ambient temperature.......The present invention concerns the absorption and in situ oxidation of nitric oxide (NO) in the presence of water and oxygen in ionic liquid compositions at ambient temperature....

  14. An Ionic Liquid Solution of Chitosan as Organocatalyst

    Directory of Open Access Journals (Sweden)

    René Wilhelm

    2013-11-01

    Full Text Available Chitosan, which is derived from the biopolymer chitin, can be readily dissolved in different ionic liquids. The resulting homogeneous solutions were applied in an asymmetric Aldol reaction. Depending on the type of ionic liquid used, high asymmetric inductions were found. The influence of different additives was also studied. The best results were obtained in [BMIM][Br] without an additive.

  15. Ionic Liquids and Green Chemistry: A Lab Experiment

    Science.gov (United States)

    Stark, Annegret; Ott, Denise; Kralisch, Dana; Kreisel, Guenter; Ondruschka, Bernd

    2010-01-01

    Although ionic liquids have been investigated as solvents for many applications and are starting to be used in industrial processes, only a few lab experiments are available to introduce students to these materials. Ionic liquids have been discussed in the context of green chemistry, but few investigations have actually assessed the degree of…

  16. Ionic Liquid Electrolytes for Flexible Dye-Sensitized Solar Cells

    Science.gov (United States)

    2014-09-01

    Ionic Liquid Electrolytes for Flexible Dye-Sensitized Solar Cells by Charles Brandon Sweeney, Mark Bundy, Mark Griep, and Shashi P. Karna...ARL-TR-7100 September 2014 Ionic Liquid Electrolytes for Flexible Dye-Sensitized Solar Cells Charles Brandon Sweeney Texas A&M...

  17. Multi-responsive ionic liquid emulsions stabilized by microgels

    NARCIS (Netherlands)

    Monteillet, H.J.M.; Workamp, M.J.; Li, X.; Schuur, B.; Kleijn, J.M.; Leermakers, F.A.M.; Sprakel, J.H.B.

    2014-01-01

    We present a complete toolbox to use responsive ionic liquid (IL) emulsions for extraction purposes. IL emulsions stabilized by responsive microgels are shown to allow rapid extraction and reversible breaking and re-emulsification. Moreover, by using a paramagnetic ionic liquid, droplets can be easi

  18. Investigation of Ion Channel Activities of Gramicidin A in the Presence of Ionic Liquids Using Model Cell Membranes.

    Science.gov (United States)

    Ryu, Hyunil; Lee, Hwankyu; Iwata, Seigo; Choi, Sangbaek; Kim, Moon Ki; Kim, Young-Rok; Maruta, Shinsaku; Kim, Sun Min; Jeon, Tae-Joon

    2015-07-20

    Ionic liquids (ILs) are considered to be green solvents because of their non-volatility. Although ILs are relatively safe in the atmospheric environment, they may be toxic in other environments. Our previous research showed that the cytotoxicity of ILs to biological organisms is attributable to interference with cell membranes by IL insertion. However, the effects of ILs on ion channels, which play important roles in cell homeostasis, have not been comprehensively studied to date. In this work, we studied the interactions between ILs and lipid bilayer membranes with gramicidin A ion channels. We used two methods, namely electrical and fluorescence measurements of ions that permeate the membrane. The lifetimes of channels were increased by all the ILs tested in this work via stabilizing the compressed structure of the lipid bilayer and the rate of ion flux through gA channels was decreased by changing the membrane surface charge. The former effect, which increased the rate of ion flux, was dominant at high salt concentrations, whereas the latter, which decreased the rate of ion flux, was dominant at low salt concentrations. The effects of ILs increased with increasing concentration and alkyl chain length. The experimental results were further studied using molecular dynamics simulations.

  19. An absorption mechanism and polarity-induced viscosity model for CO2 capture using hydroxypyridine-based ionic liquids.

    Science.gov (United States)

    An, Xiaowei; Du, Xiao; Duan, Donghong; Shi, Lijuan; Hao, Xiaogang; Lu, Houfang; Guan, Guoqing; Peng, Changjun

    2017-01-04

    A series of new hydroxypyridine-based ionic liquids (ILs) are synthesized and applied in CO2 capture through chemical absorption, in which one IL, i.e., tetrabutylphosphonium 2-hydroxypyridine ([P4444][2-Op]), shows a viscosity as low as 193 cP with an absorption capacity as high as 1.20 mol CO2 per mol IL. Because the traditional anion-CO2 absorption mechanism cannot provide an explanation for the influences of cations and temperature on CO2 absorption capacity, herein, a novel cation-participating absorption mechanism based on the proton transfer is proposed to explain the high absorption capacity and the existence of a turning point of absorption capacity with the increase of temperature for the capture of CO2 using [P4444][n-Op] (n = 2, 3, 4) ILs. Also, the relationship between the viscosity of ILs and the linear interaction energy is proposed for the first time, which can guide how to design and synthesize ILs with low viscosity. Quantum chemistry calculations, which are based on the comprehensive analysis of dipole moment, cation-anion interaction energy and surface electrostatic potential, indicate that the different viscosities of hydroxypyridine-based ILs and the changes after CO2 absorption mainly resulted from the different distribution of negative charges in the anion.

  20. Interactions between water and 1-butyl-1-methylpyrrolidinium ionic liquids.

    Science.gov (United States)

    Fadeeva, Tatiana A; Husson, Pascale; DeVine, Jessalyn A; Costa Gomes, Margarida F; Greenbaum, Steven G; Castner, Edward W

    2015-08-14

    We report experimental results on the diffusivity of water in two ionic liquids obtained using the pulsed-gradient spin-echo NMR method. Both ionic liquids have the same cation, 1-butyl-1-methylpyrrolidinium, but different trifluoromethyl-containing anions. One has a strongly hydrophobic anion, bis(trifluoromethylsulfonyl)amide, while the second has a hydrophilic anion, trifluoromethylsulfonate. Transport of water in these ionic liquids is much faster than would be predicted from hydrodynamic laws, indicating that the neutral water molecules experience a very different friction than the anions and cations at the molecular level. Temperature-dependent viscosities, conductivities, and densities are reported as a function of water concentration to further analyze the properties of the ionic liquid-water mixtures. These results on the properties of water in ionic liquids should be of interest to researchers in diverse areas ranging from separations, solubilizing biomass and energy technologies.

  1. Interactions between water and 1-butyl-1-methylpyrrolidinium ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Fadeeva, Tatiana A.; DeVine, Jessalyn A.; Castner, Edward W., E-mail: ed.castner@rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854 (United States); Husson, Pascale [CNRS, UMR 6296, Institut de Chimie de Clermont-Ferrand, BP 80026, F-63171 Aubière (France); Clermont Université, Université Blaise Pascal, Institut de Chimie de Clermont-Ferrand, BP 10448, F-63000 Clermont-Ferrand (France); Costa Gomes, Margarida F. [CNRS, UMR 6296, Institut de Chimie de Clermont-Ferrand, BP 80026, F-63171 Aubière (France); Greenbaum, Steven G. [Department of Physics and Astronomy, Hunter College, CUNY, New York, New York 10065 (United States)

    2015-08-14

    We report experimental results on the diffusivity of water in two ionic liquids obtained using the pulsed-gradient spin-echo NMR method. Both ionic liquids have the same cation, 1-butyl-1-methylpyrrolidinium, but different trifluoromethyl-containing anions. One has a strongly hydrophobic anion, bis(trifluoromethylsulfonyl)amide, while the second has a hydrophilic anion, trifluoromethylsulfonate. Transport of water in these ionic liquids is much faster than would be predicted from hydrodynamic laws, indicating that the neutral water molecules experience a very different friction than the anions and cations at the molecular level. Temperature-dependent viscosities, conductivities, and densities are reported as a function of water concentration to further analyze the properties of the ionic liquid-water mixtures. These results on the properties of water in ionic liquids should be of interest to researchers in diverse areas ranging from separations, solubilizing biomass and energy technologies.

  2. Recyclability of an ionic liquid for biomass pretreatment.

    Science.gov (United States)

    Weerachanchai, Piyarat; Lee, Jong-Min

    2014-10-01

    This study investigated the possibility of reusing an ionic liquid for the pretreatment of biomass. The effects of lignin and water content in a pretreatment solvent on pretreatment products were examined, along with the recyclability of an ionic liquid for pretreatment. It was discovered that the presence of lignin and water within a pretreatment solvent resulted in a far less effective pretreatment process. 1-Ethyl-3-methylimidazolium acetate/ethanolamine (60/40 vol%) presents more promising properties than EMIM-AC, providing a small decrease in sugar conversion and also a small increase of lignin deposition with an increasing lignin amount in the pretreatment solvent. Deteriorations of the ionic liquid were observed from considerably low sugar conversions and lignin extraction after using the 5th and 7th batch, respectively. Furthermore, the changes of ionic liquid properties and lignin accumulation in ionic liquid were determined by analyzing their thermal decomposition behavior (TGA) and chemical functional groups (FTIR and (1)H NMR).

  3. Effect of adding ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate on the coordination environment of Li+ ions in propylene carbonate, according to data from IR spectroscopy and quantum chemical modeling

    Science.gov (United States)

    Shestakov, A. F.; Yudina, A. V.; Tulibaeva, G. Z.; Shul'ga, Yu. M.; Ignatova, A. A.; Yarmolenko, O. V.

    2017-08-01

    The effect ionic liquid (IL) 1-ethyl-3-methylimidazolium tetrafluoroborate has on the coordination environment of Li+ cations in carbonate solvents is studied by means of IR spectroscopy and quantum chemical modeling using the example of propylene carbonate (PC). LiBF4 is used as the lithium salt. This system is promising for use as an electrolyte in lithium power sources (LPSs), but the mechanism of ionic conductivity by Li+ ions in such systems has yet to be studied in full.

  4. Retreating behavior of a charged ionic liquid droplet in a dielectric liquid under electric field

    Science.gov (United States)

    Ahn, Myung Mo; Im, Do Jin; Kang, In Seok

    2013-11-01

    Ionic liquids show great promise as excellent solvents or catalysts in energy and biological fields due to their unique chemical and physical properties. The ionic liquid droplets in microfluidic systems can also be used as a potential platform for chemical biological reactions. In order to control electrically the ionic liquid droplets in a microfluidic device, the charging characteristics of ionic liquid droplets need to be understood. In this work, the charging characteristics of various ionic liquids are investigated by using the parallel plate electrodes system. Under normal situation, a charged droplet shows bouncing motion between electrodes continuously. However, for some special ionic liquids, interesting retreating behavior of charged ionic liquid droplet has been observed. This retreating behavior of ionic liquid droplet has been analyzed experimentally by the image analysis and the electrometer signal analysis. Based on the hypothesis of charge leakage of the retreating ionic liquid droplets, FT-IR spectroscopy analysis has also been performed. The retreating behavior of ionic liquid droplet is discussed from the intermolecular point of view according to the species of ionic liquids. This research was supported by grant No. 2013R1A1A2011956 funded by the Ministry of Science, ICT and Future Planning (MSIP) and by grant No. 2013R1A1A2010483 funded by the Ministry of Education, Science and Technology (MEST) through the NRF.

  5. Glass transition of ionic liquids under high pressure

    Science.gov (United States)

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

    2014-06-01

    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, TVγ, 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.

  6. Inorganic materials synthesis in ionic liquids

    Directory of Open Access Journals (Sweden)

    Christoph Janiak

    2014-01-01

    Full Text Available The field of "inorganic materials from ionic liquids" (ILs is a young and dynamically growing research area for less than 10 years. The ionothermal synthesis in ILs is often connected with the preparation of nanomaterials, the use of microwave heating and in part also ultrasound. Inorganic material synthesis in ILs allows obtaining phases which are not accessible in conventional organic or aqueous solvents or with standard methods of solid-state chemistry or under such mild conditions. Cases at hand include "ligand-free" metal nanoparticles without added stabilizing capping ligands, inorganic or inorganic-organic hybrid solid-state compounds, large polyhedral clusters and exfoliated graphene from low-temperature synthesis. There are great expectations that ILs open routes towards new, possibly unknown, inorganic materials with advantageous properties that cannot (or only with great difficulty be made via conventional processes.

  7. Energy storage materials synthesized from ionic liquids.

    Science.gov (United States)

    Gebresilassie Eshetu, Gebrekidan; Armand, Michel; Scrosati, Bruno; Passerini, Stefano

    2014-12-01

    The advent of ionic liquids (ILs) as eco-friendly and promising reaction media has opened new frontiers in the field of electrochemical energy storage. Beyond their use as electrolyte components in batteries and supercapacitors, ILs have unique properties that make them suitable as functional advanced materials, media for materials production, and components for preparing highly engineered functional products. Aiming at offering an in-depth review on the newly emerging IL-based green synthesis processes of energy storage materials, this Review provides an overview of the role of ILs in the synthesis of materials for batteries, supercapacitors, and green electrode processing. It is expected that this Review will assess the status quo of the research field and thereby stimulate new thoughts and ideas on the emerging challenges and opportunities of IL-based syntheses of energy materials.

  8. Graphene terahertz modulators by ionic liquid gating

    CERN Document Server

    Wu, Yang; Qiu, Xuepeng; Liu, Jingbo; Deorani, Praveen; Banerjee, Karan; Son, Jaesung; Chen, Yuanfu; Chia, Elbert E M; Yang, Hyunsoo

    2015-01-01

    Graphene based THz modulators are promising due to the conical band structure and high carrier mobility of graphene. Here, we tune the Fermi level of graphene via electrical gating with the help of ionic liquid to control the THz transmittance. It is found that, in the THz range, both the absorbance and reflectance of the device increase proportionately to the available density of states due to intraband transitions. Compact, stable, and repeatable THz transmittance modulation up to 93% (or 99%) for a single (or stacked) device has been demonstrated in a broad frequency range from 0.1 to 2.5 THz, with an applied voltage of only 3 V at room temperature.

  9. Novel bipyridinium ionic liquids as liquid electrochromic devices.

    Science.gov (United States)

    Jordão, Noémi; Cabrita, Luis; Pina, Fernando; Branco, Luís C

    2014-04-01

    Novel mono and dialkylbipyridinium (viologens) cations combined with iodide, bromide, or bis(trifluoromethanesulfonyl)imide [NTf2] as anions were developed. Selective alkylation synthetic methodologies were optimized in order to obtain the desired salts in moderate to high yields and higher purities. All prepared mono- and dialkylbipyridinium salts were completely characterized by (1)H, (13)C, and (19)F NMR spectroscopy, Fourier-transform IR spectroscopy, and elemental analysis (in the case of NTf2 salts). Melting points, glass transition temperatures by differential scanning calorimetry (DSC) studies, and decomposition temperatures were also checked for different prepared organic salts. Viscosities at specific temperatures and activation energies were determined by rheological studies (including viscosity dependence with temperature in heating and cooling processes). Electrochemical studies based on cyclic voltammetry (CV), differential pulsed voltammetry (DPV), and square-wave voltammetry (SWV) were performed in order to determine the redox potential as well as evaluate reversibility behavior of the novel bipyridinium salts. As proof of concept, we developed a reversible liquid electrochromic device in the form of a U-tube system, the most promising dialkylbipyridinium-NTf2 ionic liquid being used as the electrochromic material and the room-temperature ionic liquid (RTIL), 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)-imide [EMIM][NTf2], as a stable and efficient electrolyte. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Gas-liquid interface of room-temperature ionic liquids.

    Science.gov (United States)

    Santos, Cherry S; Baldelli, Steven

    2010-06-01

    The organization of ions at the interface of ionic liquids and the vacuum is an ideal system to test new ideas and concepts on the interfacial chemistry of electrolyte systems in the limit of no solvent medium. Whilst electrolyte systems have numerous theoretical and experimental methods used to investigate their properties, the ionic liquids are relatively new and our understanding of the interfacial properties is just beginning to be explored. In this critical review, the gas-liquid interface is reviewed, as this interface does not depend on the preparation of another medium and thus produces a natural interface. The interface has been investigated by sum frequency generation vibrational spectroscopy and ultra-high vacuum techniques. The results provide a detailed molecular-level view of the surface composition and structure. These have been complemented by theoretical studies. The combinations of treatments on this interface are starting to provide a somewhat convergent description of how the ions are organized at this neat interface (108 references).

  11. Pretreatment of Lignocellulosic Biomass with Ionic Liquids and Ionic Liquid-Based Solvent Systems

    OpenAIRE

    Qidong Hou; Meiting Ju; Weizun Li; Le Liu; Yu Chen; Qian Yang

    2017-01-01

    Pretreatment is very important for the efficient production of value-added products from lignocellulosic biomass. However, traditional pretreatment methods have several disadvantages, including low efficiency and high pollution. This article gives an overview on the applications of ionic liquids (ILs) and IL-based solvent systems in the pretreatment of lignocellulosic biomass. It is divided into three parts: the first deals with the dissolution of biomass in ILs and IL-based solvent systems; ...

  12. Behavior of hydrophobic ionic liquids as liquid membranes on phenol removal: Experimental study and optimization

    CERN Document Server

    Ng, Y S; Hashim, M A

    2014-01-01

    Room temperature ionic liquids show potential as an alternative to conventional organic membrane solvents mainly due to their properties of low vapor pressure, low volatility and they are often stable. In the present work, the technical feasibilities of room temperature ionic liquids as bulk liquid membranes for phenol removal were investigated experimentally. Three ionic liquids with high hydrophobicity were used and their phenol removal efficiency, membrane stability and membrane loss were studied. Besides that, the effects of several parameters, namely feed phase pH, feed concentration, NaOH concentration and stirring speeds on the performance of best ionic liquid membrane were also evaluated. Lastly, an optimization study on bulk ionic liquid membrane was conducted and the maximum phenol removal efficiency was compared with the organic liquid membranes. The preliminary study shows that high phenol extraction and stripping efficiencies of 96.21% and 98.10%, respectively can be achieved by ionic liquid memb...

  13. Biophysical properties of DNA in hydrated ionic liquids

    Science.gov (United States)

    Jumbri, Khairulazhar; Ahmad, Haslina; Abdulmalek, Emilia; Rahman, Mohd Basyaruddin Abdul

    2016-11-01

    The biophysical properties and behavior of natural calf thymus DNA in hydrated 1-ethyl-3-butylimidazolium bromide ionic liquid ([C2bim]Br) have been studied using spectroscopy technique. The effect of ionic liquid concentration and temperature towards the duplex B-DNA conformation were determined. The presence of ionic liquid causes higher duplex DNA stability with the DNA melting temperature of ˜56°C without any addition of buffer solutions. The electrostatic attraction between ionic liquid's cation and DNA phosphates groups was found play a main role in stabilizing native DNA structure. Understanding of the biophysical properties of DNA in this ionic media could be used as a platform for future development of specific solvent for nucleic acid nanotechnology.

  14. Exfoliation of black phosphorus in ionic liquids

    Science.gov (United States)

    Lee, Miyeon; Kumer Roy, Arup; Jo, Seongho; Choi, Yujin; Chae, Ari; Kim, Bongsoo; Park, Sung Yong; In, Insik

    2017-03-01

    We report the characterization and formation of sonication-assisted liquid phase exfoliation of bulk black phosphorus (BP) crystals with the incorporation of two representative ionic liquids (ILs) ([Emim][Tf2N] and [Bmim][Tf2N]) as green dispersing media was attempted, which resulted in stable dispersion of multi-layer BP flakes with unsuspected high oxidation resistance and chemical/structural integrity due to the presence of IL layer on top of BP flakes. There are two unveiled issues for the generation of BP dispersion in ILs. First, thin films of BP flakes can be simply prepared through our approach. Because self-oxidation of BP in ambient condition can be significantly minimized in ILs, vacuum filtration step can be adopted to produce BP thin films in ambient condition. Second, the binding of IL molecules on BP flakes has been firstly demonstrated by the time-of-flight secondary ion mass spectrometry characterization. In addition to the exploitation of ILs as the green solvents with less environmental harmfulness, IL-based exfoliation of BP might be easily scalable because harsh control of atmospheric oxygen and moisture is unnecessary in this approach.

  15. Exfoliation of black phosphorus in ionic liquids.

    Science.gov (United States)

    Lee, Miyeon; Roy, Arup Kumer; Jo, Seongho; Choi, Yujin; Chae, Ari; Kim, Bongsoo; Park, Sung Yong; In, Insik

    2017-03-24

    We report the characterization and formation of sonication-assisted liquid phase exfoliation of bulk black phosphorus (BP) crystals with the incorporation of two representative ionic liquids (ILs) ([Emim][Tf2N] and [Bmim][Tf2N]) as green dispersing media was attempted, which resulted in stable dispersion of multi-layer BP flakes with unsuspected high oxidation resistance and chemical/structural integrity due to the presence of IL layer on top of BP flakes. There are two unveiled issues for the generation of BP dispersion in ILs. First, thin films of BP flakes can be simply prepared through our approach. Because self-oxidation of BP in ambient condition can be significantly minimized in ILs, vacuum filtration step can be adopted to produce BP thin films in ambient condition. Second, the binding of IL molecules on BP flakes has been firstly demonstrated by the time-of-flight secondary ion mass spectrometry characterization. In addition to the exploitation of ILs as the green solvents with less environmental harmfulness, IL-based exfoliation of BP might be easily scalable because harsh control of atmospheric oxygen and moisture is unnecessary in this approach.

  16. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols

    Energy Technology Data Exchange (ETDEWEB)

    University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center (NSRRC); Institute of Chemistry, Hebrew University; Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; Vaghjiani, Ghanshyam L.; Leone, Stephen R.

    2011-07-19

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1-Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?]ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

  17. Soft Ionization of Thermally Evaporated Hypergolic Ionic Liquid Aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Koh, Christine J. [Univ. of California, Berkeley, CA (United States); Liu, Chen-Lin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Harmon, Christopher W. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Strasser, Daniel [Univ. of California, Berkeley, CA (United States); Golan, Amir [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kostko, Oleg [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Chambreau, Steven D. [Edwards Air Force Base, ERC Inc., CA (United States); Vaghjiani, Ghanshyam L. [Air Force Research Laboratory, Edwards Air Force Base, CA (United States); Leone, Stephen R. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2011-04-20

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N–]), and a reactive hypergolic ionic liquid, 1-Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca–]), are generated by vaporizing ionic liquid submicrometer aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Also, hotoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N] ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~0.3 eV), attributed to reduced internal energy of the isolated ion pairs. Lastly, the method of ionic liquid submicrometer aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally “cooler” source of isolated intact ion pairs in the gas phase compared to effusive sources.

  18. Soft Ionization of Thermally Evaporated Hypergolic Ionic Liquid Aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Koh, Christine J. [Univ. of California, Berkeley, CA (United States); Liu, Chen-Lin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Harmon, Christopher W. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Strasser, Daniel [Univ. of California, Berkeley, CA (United States); Golan, Amir [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kostko, Oleg [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Chambreau, Steven D. [Edwards Air Force Base, ERC Inc., CA (United States); Vaghjiani, Ghanshyam L. [Air Force Research Laboratory, Edwards Air Force Base, CA (United States); Leone, Stephen R. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2011-04-20

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N–]), and a reactive hypergolic ionic liquid, 1-Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca–]), are generated by vaporizing ionic liquid submicrometer aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Also, hotoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N] ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~0.3 eV), attributed to reduced internal energy of the isolated ion pairs. Lastly, the method of ionic liquid submicrometer aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally “cooler” source of isolated intact ion pairs in the gas phase compared to effusive sources.

  19. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols

    Energy Technology Data Exchange (ETDEWEB)

    University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center (NSRRC); Institute of Chemistry, Hebrew University; Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; Vaghjiani, Ghanshyam L.; Leone, Stephen R.

    2011-07-19

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1-Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?]ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

  20. Soft ionization of thermally evaporated hypergolic ionic liquid aerosols.

    Science.gov (United States)

    Koh, Christine J; Liu, Chen-Lin; Harmon, Christopher W; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D; Vaghjiani, Ghanshyam L; Leone, Stephen R

    2011-05-12

    Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim(+)][Tf(2)N(-)]), and a reactive hypergolic ionic liquid, 1-Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim(+)][Dca(-)]), are generated by vaporizing ionic liquid submicrometer aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim(+) and Bmim(+), presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim(+)][Tf(2)N(-)] ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (∼0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicrometer aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally "cooler" source of isolated intact ion pairs in the gas phase compared to effusive sources.

  1. Novel thiosalicylate-based ionic liquids for heavy metal extractions

    Energy Technology Data Exchange (ETDEWEB)

    Leyma, Raphlin; Platzer, Sonja [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, A-1090 Vienna (Austria); Jirsa, Franz [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, A-1090 Vienna (Austria); Department of Zoology, University of Johannesburg, PO Box 524, Auckland Park, 2006, Johannesburg (South Africa); Kandioller, Wolfgang, E-mail: wolfgang.kandioller@univie.ac.at [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, A-1090 Vienna (Austria); Krachler, Regina; Keppler, Bernhard K. [Institute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 42, A-1090 Vienna (Austria)

    2016-08-15

    Highlights: • Six thiosalicylate-based ammonium and phosphonium ionic liquids (ILs) were newly synthesized. • ILs showed good extraction of cadmium, copper, and zinc. • Phosphonium ILs showed better extraction efficiencies than their ammonium counterparts. - Abstract: This study aims to develop novel ammonium and phosphonium ionic liquids (ILs) with thiosalicylate (TS) derivatives as anions and evaluate their extracting efficiencies towards heavy metals in aqueous solutions. Six ILs were synthesized, characterized, and investigated for their extracting efficacies for cadmium, copper, and zinc. Liquid-liquid extractions of Cu, Zn, or Cd with ILs after 1–24 h using model solutions (pH 7; 0.1 M CaCl{sub 2}) were assessed using flame atomic absorption spectroscopy (F-AAS). Phosphonium-based ILs trihexyltetradecylphosphonium 2-(propylthio)benzoate [P{sub 66614}][PTB] and 2-(benzylthio)benzoate [P{sub 66614}][BTB] showed best extraction efficiency for copper and cadmium, respectively and zinc was extracted to a high degree by [P{sub 66614}][BTB] exclusively.

  2. Chelating ionic liquids for reversible zinc electrochemistry.

    Science.gov (United States)

    Kar, Mega; Winther-Jensen, Bjorn; Forsyth, Maria; MacFarlane, Douglas R

    2013-05-21

    Advanced, high energy-density, metal-air rechargeable batteries, such as zinc-air, are of intense international interest due to their important role in energy storage applications such as electric and hybrid vehicles, and to their ability to deal with the intermittency of renewable energy sources such as solar and wind. Ionic liquids offer a number of ideal thermal and physical properties as potential electrolytes in such large-scale energy storage applications. We describe here the synthesis and characterisation of a family of novel "chelating" ILs designed to chelate and solubilize the zinc ions to create electrolytes for this type of battery. These are based on quaternary alkoxy alkyl ammonium cations of varying oligo-ether side chains and anions such as p-toluene sulfonate, bis(trifluoromethylsulfonyl)amide and dicyanoamides. This work shows that increasing the ether chain length in the cation from two to four oxygens can increase the ionic conductivity and reduce the melting point from 67 °C to 15 °C for the tosylate system. Changing the anion also plays a significant role in the nature of the zinc deposition electrochemistry. We show that zinc can be reversibly deposited from [N(222(20201))][NTf2] and [N(222(202020201))][NTf2] beginning at -1.4 V and -1.7 V vs. SHE, respectively, but not in the case of tosylate based ILs. This indicates that the [NTf2] is a weaker coordinating anion with the zinc cation, compared to the tosylate anion, allowing the coordination of the ether chain to dominate the behavior of the deposition and stripping of zinc ions.

  3. Periodicity and map for discovery of new ionic liquids

    Institute of Scientific and Technical Information of China (English)

    ZHANG; Suojiang

    2006-01-01

    [1]Trohalaki,S.,Pachter,R.,Drake,G.W.,Hawkins,T.,Quantitative structure-property relationships for melting points and densities of ionic liquids,Energy & Fuels,2005,19:279-284.[2]Holbery,J.D.,Seddon,K.R.,The phase behavior of 1-alkyl-3-methylimidazolium tetrafluoroborates,ionic liquids and ionic liquid crystals,J.Chem.Soc.Dalton Trans.,1999,13:2133-2139.[3]Katritzky,A.R.,Lomaka,A.,Petrukhin,R.et al.,QSPR correlation of the melting point for pyridinium bromides,potential ionic liquids,J.Chem.Inf.Comput.Sci.,2002,42:71-74.[4]Katritzky,A.R.,Jain,R.,Lomaka,A.et al.,Correlation of the melting points of potential ionic liquids (imidazolium bromides and benzimidazolium bromides) using the CODESSA program,J.Chem.Inf.Comput.Sci.,2002,42:225-231.[5]Eike,D.M.,Brennecke,J.F.,Maginn,E.J.,Predicting melting points of quaternary ammonium ionic liquids,Green Chemistry,2003,5:323-328.[6]Dupont,J.,Souza,R.F.,Suarez,A.Z.,Ionic liquid (molten salt) phase organometallic catalysis,J.Chem.Rev.,2002,102:3667-3692.[7]Turner,E.A.,Pye,C.C.,Singer,R.D.,Use of ab initio calculations toward the rational design of room temperature ionic liquids,J.Phys.Chem.A,2003,107(13):2277-2288.[8]Morrow,T.I.,Maginn,E.J.,Molecular dynamics study of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate,J.Phys.Chem.B,2002,106:12807-12813.[9]Cadena,C.,Antony,J.L.,Shah,J.K.et al.,Why is CO2 so soluble in imidazolium-based ionic liquids? J.Am.Chem.Soc.,2004,126(16):5300-5308.[10]Liu,Z.,Huang,S.,Wang,W.,A refined force field for molecular simulation of imidazolium-based ionic liquids,J.Phys.Chem.B,2004,108(34):12978-12989.[11]Earle,M.J,Seddon,K.R.,Ionic liquids,green solvents for the future,Pure Appl.Chem.,2000,72(7):1391-1398.[12]Mendeleev on periodicity:I and II,http://www.rod.beavon.clara.net/periodic1.htm[13]Hoffmann,R.,Building bridges between inorganic and organic chemistry,Angew.Chem.Int.Ed.Engl.,1982,21(10):711-800.

  4. Deep Extractive Desulfurization of Gasoline with Ionic Liquids Based on Metal Halide

    Institute of Scientific and Technical Information of China (English)

    Wang Haojie; He Jianxun; Yang Cairong; Zhang Hang

    2014-01-01

    Ionic liquid [Et3NH]Cl-FeCl3/CuCl was synthesized by mixing [Et3NH]Cl, anhydrous FeCl3 and anhydrous CuCl, and the desulfurization activity of this ionic liquid was tested. It exhibited remarkable ability in effective desulfurization of model gasoline (thiophene in n-octane) and lfuid catalytic cracking (FCC) gasoline, and the sulfur removal of thiophene in model oil (V(IL):V(oil)=0.08) could reach 93.9%in 50 min at 50℃. Low-sulfur (﹤10μg/g) FCC gasoline could be obtained after three extraction runs at an ionic liquid/oil volume ratio of 0.1, with the yield of FCC gasoline reaching 94.3%. The ionic liquid could be recycled 5 times with merely a slight decrease in activity.

  5. Polarizability effects on the structure and dynamics of ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Cavalcante, Ary de Oliveira, E-mail: arycavalcante@ufam.edu.br [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil); Departamento de Química, Universidade Federal do Amazonas, Av. Rodrigo Octávio, 6200, Coroado, Manaus, AM (Brazil); Ribeiro, Mauro C. C. [Laboratório de Espectroscopia Molecular, Instituto de Química, Universidade de São Paulo, São Paulo, SP C.P. 26077, 05513 970 São Paulo, SP (Brazil); Skaf, Munir S. [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil)

    2014-04-14

    Polarization effects on the structure and dynamics of ionic liquids are investigated using molecular dynamics simulations. Four different ionic liquids were simulated, formed by the anions Cl{sup −} and PF{sub 6}{sup −}, treated as single fixed charge sites, and the 1-n-alkyl-3-methylimidazolium cations (1-ethyl and 1-butyl-), which are polarizable. The partial charge fluctuation of the cations is provided by the electronegativity equalization model (EEM) and a complete parameter set for the cations electronegativity (χ) and hardness (J) is presented. Results obtained from a non-polarizable model for the cations are also reported for comparison. Relative to the fixed charged model, the equilibrium structure of the first solvation shell around the imidazolium cations shows that inclusion of EEM polarization forces brings cations closer to each other and that anions are preferentially distributed above and below the plane of the imidazolium ring. The polarizable model yields faster translational and reorientational dynamics than the fixed charges model in the rotational-diffusion regime. In this sense, the polarizable model dynamics is in better agreement with the experimental data.

  6. Morphology-enhanced conductivity in dry ionic liquids.

    Science.gov (United States)

    Erbaş, Aykut; de la Cruz, Monica Olvera

    2016-03-01

    Ionic liquids exhibit fascinating nanoscale morphological phases and are promising materials for energy storage applications. Liquid crystalline order emerges in ionic liquids with specific chemical structures. Here, we investigate the phase behaviour and related ionic conductivities of dry ionic liquids, using extensive molecular dynamics simulations. Temperature dependence, properties of polymeric tail and excluded volume symmetry of the amphiphilic ionic liquid molecules are investigated in large scale systems with both short and long-range Coulomb interactions. Our results suggest that by adjusting stiffness and steric interactions of the amphiphilic molecules, lamellar or 3D continuous phases result in these molecular salts. The resulting phases are composed of ion rich and ion pure domains. In 3D phases, ion rich clusters form ionic channels and have significant effects on the conductive properties of the observed nano-phases. If there is no excluded-volume asymmetry along the molecules, mostly lamellar phases with anisotropic conductivities emerge. If the steric interactions become asymmetric, lamellar phases are replaced by complex 3D continuous phases. Within the temperature ranges for which morphological phases are observed, conductivities exhibit low-temperature maxima in accord with experiments on ionic liquid crystals. Stiffer molecules increase the high-conductivity interval and strengthen temperature-resistance of morphological phases. Increasing the steric interactions of cation leads to higher conductivities. Moreover, at low monomeric volume fractions and at low temperatures, cavities are observed in the nano-phases of flexible ionic liquids. We also demonstrate that, in the absence of electrostatic interactions, the morphology is distorted. Our findings inspire new design principles for room temperature ionic liquids and help explain previously-reported experimental data.

  7. Dynamic dielectrophoresis model of multi-phase ionic fluids.

    Directory of Open Access Journals (Sweden)

    Ying Yan

    Full Text Available Ionic-based dielectrophoretic microchips have attracted significant attention due to their wide-ranging applications in electro kinetic and biological experiments. In this work, a numerical method is used to simulate the dynamic behaviors of ionic droplets in a microchannel under the effect of dielectrophoresis. When a discrete liquid dielectric is encompassed within a continuous fluid dielectric placed in an electric field, an electric force is produced due to the dielectrophoresis effect. If either or both of the fluids are ionic liquids, the magnitude and even the direction of the force will be changed because the net ionic charge induced by an electric field can affect the polarization degree of the dielectrics. However, using a dielectrophoresis model, assuming ideal dielectrics, results in significant errors. To avoid the inaccuracy caused by the model, this work incorporates the electrode kinetic equation and defines a relationship between the polarization charge and the net ionic charge. According to the simulation conditions presented herein, the electric force obtained in this work has an error exceeding 70% of the actual value if the false effect of net ionic charge is not accounted for, which would result in significant issues in the design and optimization of experimental parameters. Therefore, there is a clear motivation for developing a model adapted to ionic liquids to provide precise control for the dielectrophoresis of multi-phase ionic liquids.

  8. Utilization of Ionic Liquids for the Separation of Organic Liquids from ...

    African Journals Online (AJOL)

    NICO

    Department of Chemistry, Durban University of Technology, P.O. Box 5400, ... liquid extraction is the most widely used process for the separa- ... engineering aspect, namely, the design of a laboratory-scale ... Synthesis and Characterization of Ionic Liquids ... ionic liquids were also analyzed for BTEX content for the same.

  9. Morphology-induced low temperature conductivity in ionic liquids

    Science.gov (United States)

    Erbas, Aykut; Olvera de La Cruz, Monica; Olvera de la Cruz Team

    Ionic liquids exhibit nano-scale liquid crystalline order depending on the polymeric details of salt molecules. The resulting morphology and temperature behavior are key factors in determining the room temperature conductivity of ionic liquids. Here we discuss the phase behavior and related ionic conductivities of dry ionic liquids with volume fractions close to unity by using extensive molecular dynamics simulations. Temperature dependence, effective persistence length of tails, and excluded volume symmetry of amphiphilic ionic liquid molecules are investigated in large scale systems with short and long-range electrostatics. Our results suggest that by adjusting stiffness of the amphiphilic molecules and excluded volume interactions, lamellar or interconnected 3D phases can be obtained. Resulting phases have significant effects on the conductive properties. If there is no excluded volume asymmetry along the molecules, mostly lamellar phases with anisotropic conductivities emerge. If the excluded volume interactions become asymmetric, lamellar phases are replaced by interconnected phases consist of charged groups. Within temperature ranges that morphological phases are observed, conductivities exhibit low-temperature maxima in accord with experiments of ionic liquid-based liquid Center of Bio-inspried Energy Center (CBES).

  10. Synthesis of Multiester-appended and Multicarboxylic-appended Imidazolium Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    Wei Guo GENG; Xue Hui LI; Le Fu WANG; Hong Li DUAN; Wei Ping PAN

    2006-01-01

    Multiester-appended imidazolium ionic liquids were synthesized in a quatemization reaction between the imidazole derivatives carrying single or double esters and ethyl chloroacetate or bromoethane. Multicarboxylic-appended imidazolium ionic liquids were achieved from the hydrolysis of the corresponding ionic liquids. The influences of multifunctional groups on the transition temperatures and viscosity of these new ionic liquids were investigated.

  11. Enantioselective catalysis with tropos ligands in chiral ionic liquids.

    Science.gov (United States)

    Schmitkamp, Mike; Chen, Dianjun; Leitner, Walter; Klankermayer, Jürgen; Franciò, Giancarlo

    2007-10-21

    Enantioselective homogeneous rhodium-catalysed hydrogenation using tropoisomeric biphenylphosphine ligands was accomplished in readily available chiral ionic liquids and the catalytic system could be reused after extraction with scCO(2).

  12. Dissolution of cellulose in ionic liquid: A review

    Science.gov (United States)

    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.

  13. Non-Toxic Ionic Liquid Fuels for Exploration Applications Project

    Data.gov (United States)

    National Aeronautics and Space Administration — ORBITEC proposes to develop and test new, non-toxic ionic liquid fuels for propulsion applications. Vintage propulsion systems frequently use highly toxic...

  14. Ionic Liquid-Based Optical and Electrochemical Carbon Dioxide Sensors

    Directory of Open Access Journals (Sweden)

    Kamalakanta Behera

    2015-12-01

    Full Text Available Due to their unusual physicochemical properties (e.g., high thermal stability, low volatility, high intrinsic conductivity, wide electrochemical windows and good solvating ability, ionic liquids have shown immense application potential in many research areas. Applications of ionic liquid in developing various sensors, especially for the sensing of biomolecules, such as nucleic acids, proteins and enzymes, gas sensing and sensing of various important ions, among other chemosensing platforms, are currently being explored by researchers worldwide. The use of ionic liquids for the detection of carbon dioxide (CO2 gas is currently a major topic of research due to the associated importance of this gas with daily human life. This review focuses on the application of ionic liquids in optical and electrochemical CO2 sensors. The design, mechanism, sensitivity and detection limit of each type of sensor are highlighted in this review.

  15. Production of biofuels and chemicals with ionic liquids

    CERN Document Server

    Fang, Zhen; Qi, Xinhua

    2013-01-01

    This book explores the application of ionic liquids to biomass for producing biofuels and chemicals. Covers pretreatment, fermentation, cellulose transformation, reaction kinetics and more, as well as subsequent production of biofuels and platform chemicals.

  16. Ionic Liquid-Based Optical and Electrochemical Carbon Dioxide Sensors.

    Science.gov (United States)

    Behera, Kamalakanta; Pandey, Shubha; Kadyan, Anu; Pandey, Siddharth

    2015-12-04

    Due to their unusual physicochemical properties (e.g., high thermal stability, low volatility, high intrinsic conductivity, wide electrochemical windows and good solvating ability), ionic liquids have shown immense application potential in many research areas. Applications of ionic liquid in developing various sensors, especially for the sensing of biomolecules, such as nucleic acids, proteins and enzymes, gas sensing and sensing of various important ions, among other chemosensing platforms, are currently being explored by researchers worldwide. The use of ionic liquids for the detection of carbon dioxide (CO₂) gas is currently a major topic of research due to the associated importance of this gas with daily human life. This review focuses on the application of ionic liquids in optical and electrochemical CO₂ sensors. The design, mechanism, sensitivity and detection limit of each type of sensor are highlighted in this review.

  17. Robust and versatile ionic liquid microarrays achieved by microcontact printing

    Science.gov (United States)

    Gunawan, Christian A.; Ge, Mengchen; Zhao, Chuan

    2014-04-01

    Lab-on-a-chip and miniaturized systems have gained significant popularity motivated by marked differences in material performance at the micro-to-nano-scale realm. However, to fully exploit micro-to-nano-scale chemistry, solvent volatility and lack of reproducibility need to be overcome. Here, we combine the non-volatile and versatile nature of ionic liquids with microcontact printing in an attempt to establish a facile protocol for high throughput fabrication of open microreactors and microfluidics. The micropatterned ionic liquid droplets have been demonstrated as electrochemical cells and reactors for microfabrication of metals and charge transfer complexes, substrates for immobilization of proteins and as membrane-free high-performance amperometric gas sensor arrays. The results suggest that miniaturized ionic liquid systems can be used to solve the problems of solvent volatility and slow mass transport in viscous ionic liquids in lab-on-a-chip devices, thus providing a versatile platform for a diverse number of applications.

  18. Tunable Wavelength Soft Photoionization of Ionic Liquid Vapors (Preprint)

    Science.gov (United States)

    2009-11-18

    empirical methods to predict the physical properties of ionic liquids: An overview of recent developments. Zeitschrift Fur Physikalische Chemie...calculations. Zeitschrift Fur Physikalische Chemie- Preprint Distribution A: Approved for public release; distribution unlimited 13 International

  19. Ionic Liquids Can Permanently Modify Porous Silicon Surface Chemistry.

    Science.gov (United States)

    Trivedi, Shruti; Coombs, Sidney G; Wagle, Durgesh V; Bhawawet, Nakara; Baker, Gary A; Bright, Frank V

    2016-08-01

    To develop ionic liquid/porous silicon (IL/pSi) microarrays we have contact pin-printed 20 hydrophobic and hydrophilic ionic liquids onto as-prepared, hydrogen-passivated porous silicon (ap-pSi) and then determined the individual IL spot size, shape and associated pSi surface chemistry. The results reveal that the hydrophobic ionic liquids oxidize the ap-pSi slightly. In contrast, the hydrophilic ionic liquids lead to heavily oxidized pSi (i.e., ox-pSi). The strong oxidation arises from residual water within the hydrophilic ILs that is delivered from these ILs into the ap-pSi matrix causing oxidation. This phenomenon is less of an issue in the hydrophobic ILs because their water solubility is substantially lower.

  20. Enhanced Mixed Feedstock Processing Using Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Simmons, Blake A [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

    2016-10-22

    Biomass pretreatment using certain ionic liquids (ILs) is very efficient, generally producing a substrate that is amenable to saccharification with fermentable sugar yields approaching theoretical limits. Although promising, several challenges must be addressed before IL pretreatment technology becomes commercially viable. Once of the most significant challenges is the affordable and scalable recovery and recycle or the IL itself. Pervaporation is a highly selective and scalable membrane separation process for quantitatively recovering volatile solutes or solvents directly from non-volatile solvents that could prove more versatile for IL dehydration than traditional solvent extraction processes, as well as efficient and energetically more advantageous than standard evaporative techniques. In this study we evaluated a commercially available pervaporation system for IL dehydration and recycling as part of an integrated IL pretreatment process using 1-ethyl-3-methylimidazolium acetate ([C2C1Im][OAc]) that has been proven to be very effective as a biomass pretreatment solvent. We demonstrate that >99.9 wt% [C2C1Im][OAc] can be recovered from aqueous solution and recycled at least five times. A preliminary techno-economic analysis validated the promising role of pervaporation in improving overall biorefinery process economics, especially in the case where other IL recovery technologies might lead to significant losses. These findings establish the foundation for further development of pervaporation as an effective method of recovering and recycling ILs using a commercially viable process technology.

  1. Surface modification using ionic liquid ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Takaoka, Gikan H.; Hamaguchi, Takuya; Takeuchi, Mitsuaki; Ryuto, Hiromichi

    2014-12-15

    We developed an ionic liquid (IL) ion source using 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF{sub 6}) and produced IL ion beams by applying a high electric field between the tip and the extractor. Time-of-flight measurements showed that small cluster and fragment ions were contained in the positive and negative ion beams. The positive and negative cluster ions were deposited on Si(1 0 0) substrates. X-ray photoelectron spectroscopy measurements showed that the composition of the deposited layers was similar to that of an IL solvent. This suggests that a cation (A{sup +}) or an anion (B{sup −}) was attached to an IL cluster (AB){sub n}, resulting in the formation of positive cluster ions (AB){sub n}A{sup +} or negative cluster ions (AB){sub n}B{sup −}, respectively. The surfaces of the IL layers deposited on Si(1 0 0) substrates were flat at an atomic level for positive and negative cluster ion irradiation. Moreover, the contact angles of the deposited layers were similar to that of the IL solvent. Thus, surface modification of Si(1 0 0) substrates was successfully demonstrated with BMIM-PF{sub 6} cluster ion beams.

  2. Pretreatment of Lignocellulosic Biomass with Ionic Liquids and Ionic Liquid-Based Solvent Systems.

    Science.gov (United States)

    Hou, Qidong; Ju, Meiting; Li, Weizun; Liu, Le; Chen, Yu; Yang, Qian

    2017-03-20

    Pretreatment is very important for the efficient production of value-added products from lignocellulosic biomass. However, traditional pretreatment methods have several disadvantages, including low efficiency and high pollution. This article gives an overview on the applications of ionic liquids (ILs) and IL-based solvent systems in the pretreatment of lignocellulosic biomass. It is divided into three parts: the first deals with the dissolution of biomass in ILs and IL-based solvent systems; the second focuses on the fractionation of biomass using ILs and IL-based solvent systems as solvents; the third emphasizes the enzymatic saccharification of biomass after pretreatment with ILs and IL-based solvent systems.

  3. Cooperative nucleophilic-electrophilic organocatalysis by ionic liquids.

    Science.gov (United States)

    Lucchini, Vittorio; Noè, Marco; Selva, Maurizio; Fabris, Massimo; Perosa, Alvise

    2012-05-25

    The anionic and the cationic partners of ionic liquids may act cooperatively and independently as nucleophilic and electrophilic catalysts. This ambiphilic propensity was demonstrated by kinetically discriminating the contributions of the anion (nucleophilic catalyst) and of the cation (electrophilic catalyst) to the solvent-free Baylis-Hillman dimerization of cyclohexenone catalysed by ionic liquids. This journal is © The Royal Society of Chemistry 2012

  4. Magnetic field tunable capacitive dielectric:ionic-liquid sandwich composites

    Science.gov (United States)

    Wu, Ye; Bhalla, Amar; Guo, Ruyan

    2016-03-01

    We examined the tunability of the capacitance for GaFeO3-ionic liquid-GaFeO3 composite material by external magnetic and electric field. Up to 1.6 folds of capacitance tunability could be achieved at 957 kHz with voltage 4 V and magnetic field 0.02 T applied. We show that the capacitance enhancement is due to the polarization coupling between dielectric layer and ionic liquid layer.

  5. Molecular Orbital Based Design Guidelines for Hypergolic Energetic Ionic Liquids

    Science.gov (United States)

    2015-01-01

    should be synthesized to further validate our probabilistic approach for identifying EIL hypergols. DMP is one anion that has a lower “energy gap”, but...orbitals (HOMO) of the anions for a series of ionic liquids and the lowest occupied molecular orbital (LUMO) of HNO3, and variation in the computed...relative heats of formation, DHf, of these anions to develop correlations to predict hypergol activity between an ionic liquid fuel and nitric acid as

  6. Membrane contactor assisted extraction/reaction process employing ionic liquids

    Science.gov (United States)

    Lin, Yupo J.; Snyder, Seth W.

    2012-02-07

    The present invention relates to a functionalized membrane contactor extraction/reaction system and method for extracting target species from multi-phase solutions utilizing ionic liquids. One preferred embodiment of the invented method and system relates to an extraction/reaction system wherein the ionic liquid extraction solutions act as both extraction solutions and reaction mediums, and allow simultaneous separation/reactions not possible with prior art technology.

  7. Lead-Salt Quantum-Dot Ionic Liquids

    KAUST Repository

    Sun, Liangfeng

    2010-03-08

    PbS quantum dots (QDs) are functionalized using ionic liquids with thiol moieties as capping ligands. The resulting amphiphilic QD ionic liquids exhibit fluidlike behavior at room temperature, even in the absence of solvents. The photostability of the QDs is dramatically improved compared to the as-synthesized oleic acid-capped QDs dispersed in toluene. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Development of novel ionic liquids based on biological molecules

    OpenAIRE

    Zalewska, Karolina Anna Maria

    2014-01-01

    Ionic Liquids (ILs) belong to a class of compounds with unusual properties: very low vapour pressure; high chemical and thermal stability and the ability to dissolve a wide range of substances. A new field in research is evaluating the possibility to use natural chiral biomolecules for the preparation of chiral ionic liquids (CILs). This important challenge in synthetic chemistry can open new avenues of research in order to avoid some problems related with the intrinsic biodegradability and t...

  9. First Claisen Rearrangement Reaction in Ionic Liquids with Microwave Heating

    Institute of Scientific and Technical Information of China (English)

    XU Li-Wen; LI Fu-Wei; XIA Chun-Gu

    2003-01-01

    @@ We have demonstrated the first use of the common ionic liquids, [1] bmimBr, bmimBF4 and bmimPF6 as an environmentally benign solvent for the simple Claisen rearrangement under microwave irradiation. In many cases, the re action was carried out in toxic solvents of high boiling point. [2] Here we reported the first example of Claisen rear rangement reaction in green solvents, ionic liquids, under microwave irradiation.

  10. Electrosynthesis of polyaniline in ionic liquid and its electrocatalytic properties

    Institute of Scientific and Technical Information of China (English)

    Qi Ximin; Du Yanfang; Zhang Guirong; Zhao Peng; Lu Jiaxing

    2006-01-01

    Ionic liquid like 1-butyl-3-methyl- imidazolium tetrafluorobrate ([BMIM]BF4) has been used as solvent and electrolyte for the electropolymerization of aniline at glassy carbon electrode by cyclic voltammetry.Electrode modified with polyaniline (PAn) has obvious electrochemical activity in ionic liquid and acid solution (pH 0-4),and has significant electrocatalyfic activity for redox reaction of catechol and hydroquione.

  11. Ionic Liquids Development and Challenges in Industrial Application

    OpenAIRE

    Cvjetko Bubalo, M.; Radošević, K.; Radojčić Redovniković, I.; Halambek, J.; Vorkapić-Furač, J.; Gaurina Srček, V.

    2014-01-01

    Establishment of novel, highly productive, and sustainable processes for the production of industrially important compounds is becoming a growing area of research. Due to non-volatility, inflammability, great thermal, chemical and electrochemical stability and also recyclability, ionic liquids are extensively studied as possible green replacement for widely used conventional molecular solvents. Due to the extremely large number of possible chemical structures of ionic liquids, the ability to ...

  12. Electrochemical Synthesis of Polythiophene in an Ionic Liquid

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Polythiophene (PTh) was prepared by the direct electrochemical synthesis in an ionic liquid ([BMIM]PF6) containing 0.1 mol/L thiophene by cyclic voltammetry,constant potential and constant current techniques.It is found that smooth and blue-green PTh films can be obtained at a potential of ca.+1.75 V ( vs.Ag/AgCl ) or a current of ca.1.5 mA cm-2 in the ionic liquid.

  13. Ionic liquid supported acid/base-catalyzed production of biodiesel.

    Science.gov (United States)

    Lapis, Alexandre A M; de Oliveira, Luciane F; Neto, Brenno A D; Dupont, Jairton

    2008-01-01

    The transesterification (alcoholysis) reaction was successfully applied to synthesize biodiesel from vegetable oils using imidazolium-based ionic liquids under multiphase acidic and basic conditions. Under basic conditions, the combination of the ionic liquid 1-n-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BMINTf2), alcohols, and K2CO3 (40 mol %) results in the production of biodiesel from soybean oil in high yields (>98%) and purity. H2SO4 immobilized in BMINTf2 efficiently promotes the transesterification reaction of soybean oil and various primary and secondary alcohols. In this multiphase process the acid is almost completely retained in the ionic liquid phase, while the biodiesel forms a separate phase. The recovered ionic liquid containing the acid could be reused at least six times without any significant loss in the biodiesel yield or selectivity. In both catalytic processes (acid and base), the reactions proceed as typical multiphasic systems in which the formed biodiesel accumulates as the upper phase and the glycerol by-product is selectively captured by the alcohol-ionic liquid-acid/base phase. Classical ionic liquids such as 1-n-butyl-3-methylimidazolium tetrafluoroborate and hexafluorophosphate are not stable under these acidic or basic conditions and decompose.

  14. Modern ab initio valence bond theory calculations reveal charge shift bonding in protic ionic liquids.

    Science.gov (United States)

    Patil, Amol Baliram; Bhanage, Bhalchandra Mahadeo

    2016-06-21

    The nature of bonding interactions between the cation and the anion of an ionic liquid is at the heart of understanding ionic liquid properties. A particularly interesting case is a special class of ionic liquids known as protic ionic liquids. The extent of proton transfer in protic ionic liquids has been observed to vary according to the interacting species. Back proton transfer renders protic ionic liquids volatile and to be considered as inferior ionic liquids. We try to address this issue by employing modern ab initio valence bond theory calculations. The results indicate that the bonding in the cation and the anion of a prototypical ionic liquid, ethylammonium nitrate, is fundamentally different. It is neither characteristic of covalent/polar covalent bonding nor ionic bonding but rather charge shift bonding as a resonance hybrid of two competing ionic molecular electronic structure configurations. An investigation of other analogous protic ionic liquids reveals that this charge shift bonding seems to be a typical characteristic of protic ionic liquids while the ionic solid analogue compound ammonium nitrate has less charge shift bonding character as compared to protic ionic liquids. Further the extent of charge shift bonding character has been found to be congruent with the trends in many physicochemical properties such as melting point, conductivity, viscosity, and ionicity of the studied ionic liquids indicating that percentage charge shift character may serve as a key descriptor for large scale computational screening of ionic liquids with desired properties.

  15. Why single-walled carbon nanotubes can be dispersed in imidazolium-based ionic liquids.

    Science.gov (United States)

    Wang, Jinyong; Chu, Haibin; Li, Yan

    2008-12-23

    Spectroscopic and molecular modeling studies were performed to investigate the underlying dispersion mechanism of single-walled carbon nanotubes (SWCNTs) in imidazolium-based ionic liquids. Both the experimental and the simulation evidence indicate that the ionic liquids interact with SWCNTs through weak van der Waals interaction other than the previous assumed "cation-pi" interaction. Therefore the electronic structure of SWCNTs in the dispersions can be kept intrinsically. The SWCNTs do not significantly influence the local structure of the imidazolium cations, though the local environment of anions adjacent to SWCNTs is somewhat perturbed because of the interfacial effect. The ionic liquids basically keep their overall bulk phase organization. A pi-pi interaction-shielding model is proposed to account for the dispersion of SWCNTs in the ionic liquids. The ionic liquids, which possess very high dielectric constants, can effectively shield the strong pi-pi stacking interaction among SWCNTs and thus evidently disperse the SWCNTs. The retaining of SWCNTs' intrinsic property and the higher SWCNT content make the ionic liquids ideal media for the study and application of SWCNTs.

  16. Performance of Ion-gel Actuator Containing Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    H.Kokubo; Y.Kato; T.Honda; M.Watanabe

    2007-01-01

    1 Results Electroactive polymers (EAPs) driven by transducing electric energy into mechanical energy have been the subjects of recent interest[1]."Ionic liquids",consisting entirely of cation and anion,have characteristic features such as negligible volatility,non-flammability,thermal and chemical stability,and high ionic conductivity.We proposed an EAP actuator utilizing ion-gels[2-3],which consist of ionic liquids and polymers,sandwiching with two carbon material sheets as shown in Fig.1.This electrol...

  17. Spectrophotometric determination of iron species using ionic liquid ultrasound assisted dispersive liquid--liquid microextraction

    OpenAIRE

    BAZMANDEGAN, ALIREZA; Shabani,Ali Mohammad Haji; DADFARNIA, SAYESSTEH; Saeidi, Mahboubeh; Moghadam,Masoud Rohani

    2015-01-01

    A simple and efficient method for speciation and determination of iron in different water samples was developed. The method is based on ionic liquid ultrasound assisted dispersive liquid--liquid microextraction (IL-USA-DLLME) followed by spectrophotometric determination. Fe(II) is complexed with 2,4,6-tri(2'-pyridyl)-l,3,5-triazine (TPTZ{)}, neutralized through ion pair formation with sodium dodecyl sulfate (SDS) and extracted into 1-hexyl-3-methylimidazolium hexafluorophosphate [C$_...

  18. Fast Conversion of Ionic Liquids and Poly(Ionic Liquids into Porous Nitrogen-Doped Carbons in Air

    Directory of Open Access Journals (Sweden)

    Yongjun Men

    2016-04-01

    Full Text Available Ionic liquids and poly(ionic liquids have been successfully converted into nitrogen-doped porous carbons with tunable surface area up to 1200 m2/g at high temperatures in air. Compared to conventional carbonization process conducted under inert gas to produce nitrogen-doped carbons, the new production method was completed in a rather shorter time without noble gas protection.

  19. Ionic imbalance induced self-propulsion of liquid metals

    Science.gov (United States)

    Zavabeti, Ali; Daeneke, Torben; Chrimes, Adam F.; O'Mullane, Anthony P.; Zhen Ou, Jian; Mitchell, Arnan; Khoshmanesh, Khashayar; Kalantar-Zadeh, Kourosh

    2016-08-01

    Components with self-propelling abilities are important building blocks of small autonomous systems and the characteristics of liquid metals are capable of fulfilling self-propulsion criteria. To date, there has been no exploration regarding the effect of electrolyte ionic content surrounding a liquid metal for symmetry breaking that generates motion. Here we show the controlled actuation of liquid metal droplets using only the ionic properties of the aqueous electrolyte. We demonstrate that pH or ionic concentration gradients across a liquid metal droplet induce both deformation and surface Marangoni flow. We show that the Lippmann dominated deformation results in maximum velocity for the self-propulsion of liquid metal droplets and illustrate several key applications, which take advantage of such electrolyte-induced motion. With this finding, it is possible to conceive the propulsion of small entities that are constructed and controlled entirely with fluids, progressing towards more advanced soft systems.

  20. In situ electron holographic study of Ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Shirai, Manabu, E-mail: shirai-manabu@naka.hitachi-hitec.com [Hitachi, Ltd., Central Research Laboratory, Hatoyama, Saitama 350-0395 (Japan); Tanigaki, Toshiaki [Hitachi, Ltd., Central Research Laboratory, Hatoyama, Saitama 350-0395 (Japan); Center for Emergent Matter Science (CEMS), RIKEN, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Aizawa, Shinji; Park, Hyun Soon [Center for Emergent Matter Science (CEMS), RIKEN, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Matsuda, Tsuyoshi [Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012 (Japan); Shindo, Daisuke [Center for Emergent Matter Science (CEMS), RIKEN, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira 2-1-1, Sendai 980-8577 (Japan)

    2014-11-15

    Investigation of the effect of electron irradiation on ionic liquid (IL) droplets using electron holography revealed that electron irradiation changed the electrostatic potential around the IL. The potential for low electron flux irradiation (0.5×10{sup 17} e/m{sup 2} s) was almost constant as a function of time (up to 180 min). For higher electron flux irradiation (2×10{sup 17} e/m{sup 2} s), the potential increased exponentially for a certain time, reflecting the charging effect and then leveled off. The IL was found to be changed from liquid to solid state after a significant increase in the electrostatic potential due to electron irradiation. - Highlights: • We investigate the charging effect of ionic liquid using electron holography. • Electron irradiation changed the electrostatic potential around the ionic liquid. • The change of the potential depends on the electron irradiation flux. • The ionic liquid transformed from liquid to solid due electron irradiation. • Solidification of the ionic liquid correlates with the change of the potential.

  1. Method and apparatus using an active ionic liquid for algae biofuel harvest and extraction

    Science.gov (United States)

    Salvo, Roberto Di; Reich, Alton; Dykes, Jr., H. Waite H.; Teixeira, Rodrigo

    2012-11-06

    The invention relates to use of an active ionic liquid to dissolve algae cell walls. The ionic liquid is used to, in an energy efficient manner, dissolve and/or lyse an algae cell walls, which releases algae constituents used in the creation of energy, fuel, and/or cosmetic components. The ionic liquids include ionic salts having multiple charge centers, low, very low, and ultra low melting point ionic liquids, and combinations of ionic liquids. An algae treatment system is described, which processes wet algae in a lysing reactor, separates out algae constituent products, and optionally recovers the ionic liquid in an energy efficient manner.

  2. Static and dynamic electrowetting of an ionic liquid in a solid/liquid/liquid system.

    Science.gov (United States)

    Paneru, Mani; Priest, Craig; Sedev, Rossen; Ralston, John

    2010-06-23

    A droplet of an ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate, bmim.BF(4)) is immersed in an immiscible liquid (n-hexadecane) and electrowetted on a flat Teflon AF1600-coated ITO electrode. The static contact angle decreases significantly when voltage is applied between the droplet and the electrode: from 145 degrees down to 50 degrees (with DC voltage) and 15 degrees (with AC voltage). The electrowetting curves (contact angle versus voltage) are similar to the ones obtained in other solid/liquid/vapor and solid/liquid/liquid systems: symmetric with respect to zero voltage and correctly described by Young-Lippmann equation below saturation. The reversibility is excellent and contact angle hysteresis is minimal (approximately 2 degrees). The step size used in applying the DC voltage and the polarity of the voltage are unimportant. The saturation contact angle cannot be predicted with the simple zero-interfacial tension theory. Spreading (after applying a DC voltage) and retraction (after switching off the voltage) of the droplet is monitored. The base area of the droplet varies exponentially during wetting (exponential saturation) and dewetting (exponential decay). The characteristic time is 20 ms for spreading and 35 ms for retraction (such asymmetry is not observed with water-glycerol mixtures of a similar viscosity). The spreading kinetics (dynamic contact angle versus contact line speed) can be described by the hydrodynamic model (Voinov's equation) for small contact angles and by the molecular-kinetic model (Blake's equation) for large contact angles. The role of viscous and molecular dissipation follows the scheme outlined by Brochard-Wyart and de Gennes.

  3. Background vapor from six ionic liquids and the partition coefficients and limits of detection for 10 different analytes in those ionic liquids measured using headspace gas chromatography.

    Science.gov (United States)

    Von Wald, Grant; Albers, David; Cortes, Hernan; McCabe, Terry

    2008-08-01

    The concentration and identity of the compounds detected in the vapor above six ionic liquids by headspace gas chromatography (HS-GC) at 100 degrees C are reported. In addition, the partition coefficients for 10 different compounds in these ionic liquids and limits of detection were measured. These results provide quantitative guidance for the application of ionic liquids for HS-GC.

  4. Thermomorphic phase separation in ionic liquid-organic liquid systems - conductivity and spectroscopic characterization

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Berg, Rolf W.;

    2005-01-01

    Electrical conductivity, FT-Raman and NMR measurements are demonstrated as useful tools to probe and determine phase behavior of thermomorphic ionic liquid-organic liquid systems. To illustrate the methods, consecutive conductivity measurements of a thermomorphic methoxyethoxyethyl-imidazolium io......Electrical conductivity, FT-Raman and NMR measurements are demonstrated as useful tools to probe and determine phase behavior of thermomorphic ionic liquid-organic liquid systems. To illustrate the methods, consecutive conductivity measurements of a thermomorphic methoxyethoxyethyl...

  5. Physical Properties of Substituted Imidazolium Based Ionic Liquids Gel Electrolytes

    Science.gov (United States)

    Sutto, Thomas E.; De Long, Hugh C.; Trulove, Paul C.

    2002-11-01

    The physical properties of solid gel electrolytes of either polyvinylidene diflurohexafluoropropylene or a combination of polyvinylidene hexafluoropropylene and polyacrylic acid, and the molten salts 1-ethyl-3-methylimidazolium tetrafluoroborate, 1,2-dimethyl-3-n-propylimidazolium tetrafluoroborate, and the new molten salts 1,2-dimethyl-3-n-butylimidazolium tetrafluoroborate, and 1,2-dimethyl-3-n-butylimidazolium hexafluorophosphate were characterized by temperature dependent ionic conductivity measurements for both the pure molten salt and of the molten salt with 0.5 M Li+ present. Ionic conductivity data indicate that for each of the molten salts, the highest concentration of molten salt allowable in a single component polymer gel was 85%, while gels composed of 90%molten salt were possible when using both polyvinylidene hexafluorophosphate and polyacrylic acid. For polymer gel composites prepared using lithium containing ionic liquids, the optimum polymer gel composite consisted of 85% of the 0.5 M Li+/ionic liquid, 12.75% polyvinylidene hexafluoropropylene, and 2.25% poly (1-carboxyethylene). The highest ionic conductivity observed was for the gel containing 90%1-ethyl-3-methyl-imidazolium tetrafluoroborate, 9.08 mS/cm. For the lithium containing ionic liquid gels, their ionic conductivity ranged from 1.45 to 0.05 mS/cm, which is comparable to the value of 0.91 mS/cm, observed for polymer composite gels containing 0.5 M LiBF4 in propylene carbonate.

  6. Ionic liquids based on dicyanamide anion: influence of structural variations in cationic structures on ionic conductivity.

    Science.gov (United States)

    Yoshida, Yukihiro; Baba, Osamu; Saito, Gunzi

    2007-05-10

    A series of dicyanamide [N(CN)2]-based ionic liquids were prepared using 1-alkyl-3-methylimidazolium cations with different alkyl chain lengths and ethyl-containing heterocyclic cations with different ring structures, and the influence of such structural variations on their thermal property, density, electrochemical window, viscosity, ionic conductivity, and solvatochromic effects was investigated. We found that the 1,3-dimethylimidazolium salt shows the highest ionic conductivity among ionic liquids free from halogenated anions (3.6 x 10(-2) S cm(-1) at 25 degrees C), and the elongation of the alkyl chain causes the pronounced depression of fluidity and ionic conductivity. Also, such an elongation gives rise to the increase in the degree of ion association in the liquids, mainly caused by the van der Waals interactions between alkyl chains. N(CN)2 salts with 1-ethyl-2-methylpyrazolium (EMP) and N-ethyl-N-methylpyrrolidinium (PY(12)) cations as well as 1-ethyl-3-methylimidazolium (EMI) cation are liquids at room temperature (RT), while the N-ethylthiazolium salt shows a melting event at higher temperature (57 degrees C). Among the three RT ionic liquids with ethyl-containing cations, RT ionic conductivity follows the order EMI > PY(12) > EMP, which does not coincide with the order of fluidity at RT (EMI > EMP > PY(12)). Such a discrepancy is originated from a high degree of ion dissociation in the PY(12) salt, which was manifested in the Walden rule deviation and solvatochromic effects. A series of N(CN)2/C(CN)3 binary mixtures of the EMI salts were also prepared. RT ionic conductivity decreases linearly with increasing the molar fraction of C(CN)3 anion.

  7. Interfacial Properties of an Ionic Liquid by Molecular Dynamics

    NARCIS (Netherlands)

    Heggen, B.; Zhao, W.; Leroy, F.; Dammers, A.T.; Müller-Plathe, F.

    2010-01-01

    We studied the influence of a liquid-vapor interface on dynamic properties like reorientation and diffusion as well as the surface tension of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) by molecular dynamics simulations. In the interfacial region, reorientation of

  8. Interfacial Properties of an Ionic Liquid by Molecular Dynamics

    NARCIS (Netherlands)

    Heggen, B.; Zhao, W.; Leroy, F.; Dammers, A.T.; Müller-Plathe, F.

    2010-01-01

    We studied the influence of a liquid-vapor interface on dynamic properties like reorientation and diffusion as well as the surface tension of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) by molecular dynamics simulations. In the interfacial region, reorientation of

  9. Recent Applications of Ionic Liquids in Separation Technology

    Directory of Open Access Journals (Sweden)

    Dandan Han

    2010-04-01

    Full Text Available Ionic liquids (ILs have been applied in different areas of separation, such as ionic liquid supported membranes, as mobile phase additives and surface-bonded stationary phases in chromatography separations and as the extraction solvent in sample preparations, because they can be composed from various cations and anions that change the properties and phase behavior of liquids. Although the applications of ILs in separations are still in their early stages, the academic interest in ILs is increasing. An overview of the principle applications of ILs in separation technology is present in this work. Furthermore, the prospects of the ILs in separation techniques are discussed.

  10. Absorption and oxidation of nitrogen oxide in ionic liquids

    DEFF Research Database (Denmark)

    Kunov-Kruse, Andreas Jonas; Thomassen, Peter Langelund; Riisager, Anders;

    2016-01-01

    A new strategy for capturing nitrogen oxide, NO, from the gas phase is presented. Dilute NO gas is removed from the gas phase by ionic liquids under ambient conditions. The nitrate anion of the ionic liquid catalyzes the oxidation of NO to nitric acid by atmospheric oxygen in the presence of water...... investigations of the reaction and products are presented. The procedure reveals a new vision for removing the pollutant NO by absorption into a non-volatile liquid and converting it into a useful bulk chemical, that is, HNO3....

  11. An ionic liquid based strain sensor for large displacement measurement.

    Science.gov (United States)

    Keulemans, Grim; Ceyssens, Frederik; Puers, Robert

    2017-03-01

    A robust and low cost ionic liquid based strain sensor is fabricated for high strain measurements in biomedical applications (up to 40 % and higher). A tubular 5 mm long silicone microchannel with an inner diameter of 310 µm and an outer diameter of 650 µm is filled with an ionic liquid. Three ionic liquids have been investigated: 1-butyl-1-methylpyrrolidinium bis (trifluoromethylsulfonyl) imide, ethylammonium nitrate and cholinium ethanoate. When the channel is axially stretched, geometrical deformations change the electrical impedance of the liquid channel. The sensors display a linear response and low hysteresis with an average gauge factors of 1.99 for strains up to 40 %. Additionally, to fix the sensor by surgical stitching to soft biological tissue, a sensor with tube clamps consisting of photopatternable SU-8 epoxy-based resin is proposed.

  12. Failure Mechanisms of Hollow Fiber Supported Ionic Liquid Membranes.

    Science.gov (United States)

    Zeh, Matthew; Wickramanayake, Shan; Hopkinson, David

    2016-03-23

    Hollow fiber supported ionic liquid membranes (SILMs) were tested using the bubble point method to investigate potential failure modes, including the maximum transmembrane pressure before loss of the ionic liquid from the support. Porous hollow fiber supports were fabricated with different pore morphologies using Matrimid(®) and Torlon(®) as the polymeric material and 1-hexyl-3-methylimidalzolium bis(trifluoromethylsulfonyl)imide ([C₆mim][Tf₂N]) as the ionic liquid (IL) component. Hollow fiber SILMs were tested for their maximum pressure before failure, with pressure applied either from the bore side or shell side. It was found that the membranes exhibited one or more of three different modes of failure when pressurized: liquid loss (occurring at the bubble point), rupture, and collapse.

  13. Structure of ionic liquids with cationic silicon-substitutions

    Science.gov (United States)

    Wu, Boning; Shirota, Hideaki; Lall-Ramnarine, Sharon; Castner, Edward W.

    2016-09-01

    Significantly lower viscosities result when a single alkyl carbon is replaced by a silicon atom on the side chain of an ionic liquid cation. To further explore this effect, we compare liquid structure factors measured using high-energy X-ray scattering and calculated using molecular dynamics simulations. Four ionic liquids are studied that each has a common anion, bis(trifluoromethylsulfonyl)amide ( NTf2 - ). The four cations for this series of NTf2 - -anion ionic liquids are 1-methyl-3-trimethylsilylmethylimidazolium (Si-mim+), 1-methyl-3-neopentylimidazolium (C-mim+), 1-methyl-3-pentamethyldisiloxymethylimidazolium (SiOSi-mim+), and 1-methyl-1-trimethylsilylmethylpyrrolidinium (Si-pyrr+). To achieve quantitative agreement between the structure factors measured using high-energy X-ray scattering and molecular dynamics simulations, new transferable parameters for silicon were calibrated and added to the existing force fields.

  14. Lattice models of ionic systems

    Science.gov (United States)

    Kobelev, Vladimir; Kolomeisky, Anatoly B.; Fisher, Michael E.

    2002-05-01

    A theoretical analysis of Coulomb systems on lattices in general dimensions is presented. The thermodynamics is developed using Debye-Hückel theory with ion-pairing and dipole-ion solvation, specific calculations being performed for three-dimensional lattices. As for continuum electrolytes, low-density results for simple cubic (sc), body-centered cubic (bcc), and face-centered cubic (fcc) lattices indicate the existence of gas-liquid phase separation. The predicted critical densities have values comparable to those of continuum ionic systems, while the critical temperatures are 60%-70% higher. However, when the possibility of sublattice ordering as well as Debye screening is taken into account systematically, order-disorder transitions and a tricritical point are found on sc and bcc lattices, and gas-liquid coexistence is suppressed. Our results agree with recent Monte Carlo simulations of lattice electrolytes.

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

    Science.gov (United States)

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

    2016-04-01

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

  16. Cytotoxicity towards CCO cells of imidazolium ionic liquids with functionalized side chains: preliminary QSTR modeling using regression and classification based approaches.

    Science.gov (United States)

    Bubalo, Marina Cvjetko; Radošević, Kristina; Srček, Višnja Gaurina; Das, Rudra Narayan; Popelier, Paul; Roy, Kunal

    2015-02-01

    Within this work we evaluated the cytotoxicity towards the Channel Catfish Ovary (CCO) cell line of some imidazolium-based ionic liquids containing different functionalized and unsaturated side chains. The toxic effects were measured by the reduction of the WST-1 dye after 72 h exposure resulting in dose- and structure-dependent toxicities. The obtained data on cytotoxic effects of 14 different imidazolium ionic liquids in CCO cells, expressed as EC50 values, were used in a preliminary quantitative structure-toxicity relationship (QSTR) study employing regression- and classification-based approaches. The toxicity of ILs towards CCO was chiefly related to the shape and hydrophobicity parameters of cations. A significant influence of the quantum topological molecular similarity descriptor ellipticity (ε) of the imine bond was also observed.

  17. Establishment and molecular modeling study of maltodextrin-based synergistic enantioseparation systems with two new hydroxy acid chiral ionic liquids as additives in capillary electrophoresis.

    Science.gov (United States)

    Yang, Xuan; Du, Yingxiang; Feng, Zijie; Liu, Zongran; Li, Jingtang

    2017-06-02

    Discovering more superior performance of ionic liquids for the separation science has triggered increasing interest. In this work, two new Hydroxy acid-based chiral ionic liquids (CILs) (tertramethylammonium-d-pantothenate (TMA-d-PAN), tertramethylammonium-d-quinate (TMA-d-QUI)) were designed and first used as additives to establish the maltodextrin-based synergistic systems for enantioseparation in capillary electrophoresis (CE). Compared to traditional single maltodextrin chiral separation system, significantly improved separations of all tested drugs in the CIL/Maltodextrin synergistic systems were obtained. Some parameters (CIL concentration, maltodextrin concentration, buffer pH, and applied voltage) in the TMA-d-PAN/Maltodextrin synergistic system have been examined and optimized for analytes. The molecular docking software AutoDock was applied to simulate the recognition process and surmise feasible resolution mechanism in the Maltodextrin/CILs synergistic systems, which has certain guiding value. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Radiation stability of some room temperature ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Jagadeeswara Rao, Ch.; Venkatesan, K.A. [Fuel Chemistry Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil nadu (India); Tata, B.V.R. [Condensed Matter Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil nadu (India); Nagarajan, K., E-mail: knag@igcar.gov.i [Fuel Chemistry Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil nadu (India); Srinivasan, T.G.; Vasudeva Rao, P.R. [Fuel Chemistry Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil nadu (India)

    2011-05-15

    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{sub 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{sub 2}) and N-methyl-N-propylpiperidinium bis(trifluoromethylsulfonyl)imide (MPPiNTf{sub 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. -- Research highlights: {yields} Room temperature ionic liquids (RTILs). {yields} Gamma irradiation. {yields} Determination of physical and electrochemical properties. {yields} Minimal change in physical properties. {yields} Large variation in electrochemical window.

  19. Physicochemical properties and toxicities of hydrophobicpiperidinium and pyrrolidinium ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Salminen, Justin; Papaiconomou, Nicolas; Kumar, R. Anand; Lee,Jong-Min; Kerr, John; Newman, John; Prausnitz, John M.

    2007-06-25

    Some properties are reported for hydrophobic ionic liquids (IL) containing 1-methyl-1-propyl pyrrolidinium [MPPyrro]{sup +}, 1-methyl-1-butyl pyrrolidinium [MBPyrro]{sup +}, 1-methyl-1-propyl piperidinium [MPPip]{sup +}, 1-methyl-1-butyl piperidinium [MBPip]{sup +}, 1-methyl-1-octylpyrrolidinium [MOPyrro]{sup +} and 1-methyl-1-octylpiperidinium [MOPip]{sup +} cations. These liquids provide new alternatives to pyridinium and imidazolium ILs. High thermal stability of an ionic liquid increases safety in applications like rechargeable lithium-ion batteries and other electrochemical devices. Thermal properties, ionic conductivities, viscosities, and mutual solubilities with water are reported. In addition, toxicities of selected ionic liquids have been measured using a human cancer cell-line. The ILs studied here are sparingly soluble in water but hygroscopic. We show some structure-property relationships that may help to design green solvents for specific applications. While ionic liquids are claimed to be environmentally-benign solvents, as yet few data have been published to support these claims.

  20. Stable zinc oxide nanoparticle dispersions in ionic liquids

    Science.gov (United States)

    Wittmar, Alexandra; Gautam, Devendraprakash; Schilling, Carolin; Dörfler, Udo; Mayer-Zaika, Wolfgang; Winterer, Markus; Ulbricht, Mathias

    2014-05-01

    The influence of the hydrophilicity and length of the cation alkyl chain in imidazolium-based ionic liquids on the dispersability of ZnO nanoparticles by ultrasound treatment was studied by dynamic light scattering and advanced rheology. ZnO nanopowder synthesized by chemical vapor synthesis was used in parallel with one commercially available material. Before preparation of the dispersion, the nanoparticles characteristics were determined by transmission electron microscopy, X-ray diffraction, nitrogen adsorption with BET analysis, and FT-IR spectroscopy. Hydrophilic ionic liquids dispersed all studied nanopowders better and in the series of hydrophilic ionic liquids, an improvement of the dispersion quality with increasing length of the alkyl chain of the cation was observed. Especially, for ionic liquids with short alkyl chain, additional factors like nanoparticle concentration in the dispersion and the period of the ultrasonic treatment had significant influence on the dispersion quality. Additionally, nanopowder characteristics (crystallite shape and size as well as the agglomeration level) influenced the dispersion quality. The results indicate that the studied ionic liquids are promising candidates for absorber media at the end of the gas phase synthesis reactor allowing the direct preparation of non-agglomerated nanoparticle dispersions without supplementary addition of dispersants and stabilizers.

  1. Novel developments in hydrogen storage, hydrogen activation and ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Doroodian, Amir

    2010-12-03

    This dissertation is divided into three chapters. Recently, metal-free hydrogen activation using phosphorous compounds has been reported in science magazine. We have investigated the interaction between hydrogen and phosphorous compounds in presence of strong Lewis acids (chapter one). A new generation of metal-free hydrogen activation, using amines and strong Lewis acids with sterically demanding nature, was already developed in our group. Shortage of high storage capacity using large substitution to improve sterical effect led us to explore the amine borane derivatives, which are explained in chapter two. Due to the high storage capacity of hydrogen in aminoborane derivatives, we have explored these materials to extend hydrogen release. These compounds store hydrogen as proton and hydride on adjacent atoms or ions. These investigations resulted in developing hydrogen storage based on ionic liquids containing methyl guanidinium cation. Then we have continued to develop ionic liquids based on methyl guanidinium cation with different anions, such as tetrafluoro borate (chapter three). We have replaced these anions with transition metal anions to investigate hydrogen bonding and catalytic activity of ionic liquids. This chapter illustrates the world of ionic liquid as a green solvent for organic, inorganic and catalytic reactions and combines the concept of catalysts and solvents based on ionic liquids. The catalytic activity is investigated particularly with respect to the interaction with CO{sub 2}. (orig.)

  2. Unimolecular Solvolyses in Ionic Liquid: Alcohol Dual Solvent Systems

    Directory of Open Access Journals (Sweden)

    Elizabeth D. Kochly

    2016-01-01

    Full Text Available A study was undertaken of the solvolysis of pivaloyl triflate in a variety of ionic liquid:alcohol solvent mixtures. The solvolysis is a kΔ process (i.e., a process in which ionization occurs with rearrangement, and the resulting rearranged carbocation intermediate reacts with the alcohol cosolvent via two competing pathways: nucleophilic attack or elimination of a proton. Five different ionic liquids and three different alcohol cosolvents were investigated to give a total of fifteen dual solvent systems. 1H-NMR analysis was used to determine relative amounts of elimination and substitution products. It was found, not surprisingly, that increasing the bulkiness of alcohol cosolvent led to increased elimination product. The change in the amount of elimination product with increasing ionic liquid concentration, however, varied greatly between ionic liquids. These differences correlate strongly, though not completely, to the Kamlet–Taft solvatochromic parameters of the hydrogen bond donating and accepting ability of the solvent systems. An additional factor playing into these differences is the bulkiness of the ionic liquid anion.

  3. Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems.

    Science.gov (United States)

    Sosnowska, Anita; Barycki, Maciej; Gajewicz, Agnieszka; Bobrowski, Maciej; Freza, Sylwia; Skurski, Piotr; Uhl, Stefanie; Laux, Edith; Journot, Tony; Jeandupeux, Laure; Keppner, Herbert; Puzyn, Tomasz

    2016-06-01

    This work focuses on determining the influence of both ionic-liquid (IL) type and redox couple concentration on Seebeck coefficient values of such a system. The quantitative structure-property relationship (QSPR) and read-across techniques are proposed as methods to identify structural features of ILs (mixed with LiI/I2 redox couple), which have the most influence on the Seebeck coefficient (Se ) values of the system. ILs consisting of small, symmetric cations and anions with high values of vertical electron binding energy are recognized as those with the highest values of Se . In addition, the QSPR model enables the values of Se to be predicted for each IL that belongs to the applicability domain of the model. The influence of the redox-couple concentration on values of Se is also quantitatively described. Thus, it is possible to calculate how the value of Se will change with changing redox-couple concentration. The presence of the LiI/I2 redox couple in lower concentrations increases the values of Se , as expected.

  4. Pretreatment of Lignocellulosic Biomass with Ionic Liquids and Ionic Liquid-Based Solvent Systems

    Directory of Open Access Journals (Sweden)

    Qidong Hou

    2017-03-01

    Full Text Available Pretreatment is very important for the efficient production of value-added products from lignocellulosic biomass. However, traditional pretreatment methods have several disadvantages, including low efficiency and high pollution. This article gives an overview on the applications of ionic liquids (ILs and IL-based solvent systems in the pretreatment of lignocellulosic biomass. It is divided into three parts: the first deals with the dissolution of biomass in ILs and IL-based solvent systems; the second focuses on the fractionation of biomass using ILs and IL-based solvent systems as solvents; the third emphasizes the enzymatic saccharification of biomass after pretreatment with ILs and IL-based solvent systems.

  5. Self-segregated nanostructure in room temperature ionic liquids.

    Science.gov (United States)

    Pontoni, Diego; Haddad, Julia; Di Michiel, Marco; Deutsch, Moshe

    2017-08-29

    The nanosegregated bulk structure, and its evolution with the cation's alkyl length n, are studied by X-ray scattering for an unprecedentedly broad homologous series of a model room-temperature ionic liquid, [CnMIM][NTf2] (n = 4-22). A tri-periodic local structure is found, with the lateral periodicities, dII and dIII independent of n, and a longitudinal one, dI, linearly increasing with n. The results are consistent with a local structure comprising alternating layers of polar headgroups and apolar, interdigitated, partly overlapping, cations' alkyl tails, of an average macroscopic mass density close to that of liquid alkanes. A slope decrease in the linear dI(n) suggests a change from a lower to a higher rate of increase with n of chain overlap for n ≥ 12. The order decay lengths of the layering, and of the lateral chain packing, increase with n, as expected from the increasing van der Waals interaction's domination of the structure. The headgroups' lateral packing decay length decreases with n, due to increasing frustration between the longer lateral periodicity preferred by the headgroups, and the shorter lateral periodicity preferred by the chains. A comparison of the bulk and surface structures highlights the surface's ordering effect, which, however, does not induce here a surface phase different from the bulk, as it does in liquid crystals and liquid alkanes.

  6. Electrochemical Reduction of Benzoylformic Acid in Ionic Liquid

    Institute of Scientific and Technical Information of China (English)

    陆嘉星; 孙茜; 何鸣元

    2003-01-01

    Ionic Hquids possess a number of unique properties that makethem ideal electrolytes. Electrochical reduction of benzoyl-formic acid in room temperature ionic liquids as reaction media could be conducted with excellent performances without any ad-ditional supporting electrolyte. Electrolysis at glassy carbon electrode results in the formation of mandelic acid in 91% yield. And the electrochemical behavior of benzoylformic acid was investigated with the technique of cyclic voltammetry.

  7. In Silico Calculation of Infinite Dilution Activity Coefficients of Molecular Solutes in Ionic Liquids: Critical Review of Current Methods and New Models Based on Three Machine Learning Algorithms.

    Science.gov (United States)

    Paduszyński, Kamil

    2016-08-22

    The aim of the paper is to address all the disadvantages of currently available models for calculating infinite dilution activity coefficients (γ(∞)) of molecular solutes in ionic liquids (ILs)-a relevant property from the point of view of many applications of ILs, particularly in separations. Three new models are proposed, each of them based on distinct machine learning algorithm: stepwise multiple linear regression (SWMLR), feed-forward artificial neural network (FFANN), and least-squares support vector machine (LSSVM). The models were established based on the most comprehensive γ(∞) data bank reported so far (>34 000 data points for 188 ILs and 128 solutes). Following the paper published previously [J. Chem. Inf. Model 2014, 54, 1311-1324], the ILs were treated in terms of group contributions, whereas the Abraham solvation parameters were used to quantify an impact of solute structure. Temperature is also included in the input data of the models so that they can be utilized to obtain temperature-dependent data and thus related thermodynamic functions. Both internal and external validation techniques were applied to assess the statistical significance and explanatory power of the final correlations. A comparative study of the overall performance of the investigated SWMLR/FFANN/LSSVM approaches is presented in terms of root-mean-square error and average absolute relative deviation between calculated and experimental γ(∞), evaluated for different families of ILs and solutes, as well as between calculated and experimental infinite dilution selectivity for separation problems benzene from n-hexane and thiophene from n-heptane. LSSVM is shown to be a method with the lowest values of both training and generalization errors. It is finally demonstrated that the established models exhibit an improved accuracy compared to the state-of-the-art model, namely, temperature-dependent group contribution linear solvation energy relationship, published in 2011 [J. Chem

  8. Theory of phase separation and polarization for dissociated ionic liquids

    CERN Document Server

    Gavish, Nir

    2015-01-01

    Room temperature ionic liquids are attractive to numerous applications and particularly, to renewable energy devices. As solvent free electrolytes, they demonstrate a paramount connection between the material morphology and Coulombic interactions: unlike dilute electrolytes, the electrode/RTIL interface is a product of both electrode polarization and spatiotemporal bulk properties. Yet, theoretical studies have dealt almost exclusively with independent models of morphology and electrokinetics. In this work, we develop a novel Cahn-Hilliard-Poisson type mean-field framework that couples morphological evolution with electrokinetic phenomena. Linear analysis of the model shows that spatially periodic patterns form via a finite wavenumber instability, a property that cannot arise in the currently used Fermi-Poisson-Nernst-Planck equations. Numerical simulations in above one-space dimension, demonstrate that while labyrinthine type patterns develop in the bulk, stripe patterns emerge near charged surfaces. The res...

  9. Determination of sulfonamides in butter samples by ionic liquid magnetic bar liquid-phase microextraction high-performance liquid chromatography.

    Science.gov (United States)

    Wu, Lijie; Song, Ying; Hu, Mingzhu; Xu, Xu; Zhang, Hanqi; Yu, Aimin; Ma, Qiang; Wang, Ziming

    2015-01-01

    A novel, simple, and environmentally friendly pretreatment method, ionic liquid magnetic bar liquid-phase microextraction, was developed for the determination of sulfonamides in butter samples by high-performance liquid chromatography. The ionic liquid magnetic bar was prepared by inserting a stainless steel wire into the hollow of a hollow fiber and immobilizing ionic liquid in the micropores of the hollow fiber. In the extraction process, the ionic liquid magnetic bars were used to stir the mixture of sample and extraction solvent and enrich the sulfonamides in the mixture. After extraction, the analyte-adsorbed ionic liquid magnetic bars were readily isolated with a magnet from the extraction system. It is notable that the present method was environmentally friendly since water and only several microliters of ionic liquid were used in the whole extraction process. Several parameters affecting the extraction efficiency were investigated and optimized, including the type of ionic liquid, sample-to-extraction solvent ratio, the number of ionic liquid magnetic bars, extraction temperature, extraction time, salt concentration, stirring speed, pH of the extraction solvent, and desorption conditions. The recoveries were in the range of 73.25-103.85 % and the relative standard deviations were lower than 6.84 %. The experiment results indicated that the present method was effective for the extraction of sulfonamides in high-fat content samples.

  10. Chiral Ionic Liquids in Chromatographic Separation and Spectroscopic Discrimination

    Science.gov (United States)

    Li, Min; Bwambok, David K.; Fakayode, Sayo O.; Warner, Isiah M.

    Chiral ionic liquids (CILs) are a subclass of ionic liquids (ILs) in which the cation, anion, or both may be chiral. The chirality can be central, axial, or planar. CILs possess a number of unique advantageous properties which are inherited from ionic liquids including negligible vapor pressure, wide liquidus temperature range, high thermal stability, and high tunability. Due to their dual functionalities as chiral selectors and chiral solvents simultaneously, CILs recently have been widely used both in enantiomeric chromatographic separation and in chiral spectroscopic discrimination. In this chapter, the various applications of CILs in chiral chromatographic separations such as GC, HPLC, CE, and MEKC are reviewed. The applications of CILs in enantiomeric spectroscopic discrimination using techniques such as NMR, fluorescence, and NIR are described. In addition, chiral recognition and separation mechanism using the CILs as chiral selectors or chiral solvents is also discussed.

  11. Proline Based Chiral Ionic Liquids for Enantioselective Michael Reaction

    Directory of Open Access Journals (Sweden)

    Kaoru Nobuoka

    2014-01-01

    Full Text Available Chiral ionic liquids, starting from (S-proline, have been prepared and evaluated the ability of a chiral catalyst. In Michael reaction of trans-β-nitrostyrene and cyclohexanone, all the reactions were carried out under homogeneous conditions without any solvent except for excess cyclohexanone. The chiral ionic liquid catalyst with the positive charge delocalized bulky pyrrolidinium cation shows excellent yields (up to 92%, diastereoselectivities (syn/anti = 96/4, and enantioselectivities (up to 95% ee and could be reused at least three times without any loss of its catalytic activity. Such results demonstrated a promising new approach for green and economic chiral synthesis by using the chiral ionic liquids as a chiral catalyst and a chiral medium.

  12. The Use of Supported Acidic Ionic Liquids in Organic Synthesis

    Directory of Open Access Journals (Sweden)

    Rita Skoda-Földes

    2014-06-01

    Full Text Available Catalysts obtained by the immobilisation of acidic ionic liquids (ILs on solid supports offer several advantages compared to the use of catalytically active ILs themselves. Immobilisation may result in an increase in the number of accessible active sites of the catalyst and a reduction of the amount of the IL required. The ionic liquid films on the carrier surfaces provide a homogeneous environment for catalytic reactions but the catalyst appears macroscopically as a dry solid, so it can simply be separated from the reaction mixture. As another advantage, it can easily be applied in a continuous fixed bed reactor. In the present review the main synthetic strategies towards the preparation of supported Lewis acidic and Brønsted acidic ILs are summarised. The most important characterisation methods and structural features of the supported ionic liquids are presented. Their efficiency in catalytic reactions is discussed with special emphasis on their recyclability.

  13. Molecular ions of ionic liquids in the gas phase.

    Science.gov (United States)

    Gross, Jürgen H

    2008-09-01

    Ionic liquids form neutral ion pairs (CA) upon evaporation. The softness of the gas-phase ionization of field ionization has been used to generate "molecular ions," CA(+*), of ionic liquids, most probably by neutralization of the anion. In detail, 1-ethyl-3-methylimidazolium-thiocyanate, [C(6)H(11)N(2)](+) [SCN](-), 1-butyl-3-methylimidazolium-tricyanomethide, [C(8)H(15)N(2)](+) [C(4)N(3)](-), N-butyl-3-methylpyridinium-dicyanamide, [C(10)H(16)N](+) [C(2)N(3)](-), and 1-butyl-1-methylpyrrolidinium-bis[(trifluormethyl)sulfonyl]amide, [C(9)H(20)N](+) [C(2)F(6)NO(4)S(2)](-) were used. The assignment as CA(+*) ions, which has been confirmed by accurate mass measurements and misassignments due to thermal decomposition of the ionic liquids, has been ruled out by field desorption and electrospray ionization mass spectrometry of the residues.

  14. USE OF IONIC LIQUIDS FOR IMPROVEMENT OF CELLULOSIC ETHANOL PRODUCTION

    Directory of Open Access Journals (Sweden)

    Qijun Wang

    2011-02-01

    Full Text Available Cellulosic ethanol production has drawn much attention in recent years. However, there remain significant technical challenges before such production can be considered as economically feasible at an industrial scale. Among them, the efficient conversion of carbohydrates in lignocellulosic biomass into fermentable sugars is one of the most challenging technical difficulties in cellulosic ethanol production. Use of ionic liquids has opened new avenues to solve this problem by two different pathways. One is pretreatment of lignocellulosic biomass using ionic liquids to increase its enzymatic hydrolysis efficiency. The other is to transform the hydrolysis process of lignocellulosic biomass from a heterogeneous reaction system to a homogeneous one by dissolving it into ionic liquids, thus improving its hydrolysis efficiency.

  15. Magnetically rotational reactor for absorbing benzene emissions by ionic liquids

    Institute of Scientific and Technical Information of China (English)

    Yangyang; Jiang; Chen; Guo; Huizhou; Liu

    2007-01-01

    A magnetically rotational reactor (MRR) has been developed and used in absorbing benzene emissions. The MRR has a permanent magnet core and uses magnetic ionic liquid [bmim]FeCl4 as absorbent. Benzene emissions were carried by N2 into the MRR and were absorbed by the magnetic ionic liquid. The rotation of the permanent magnet core provided impetus for the agitation of the magnetic ionic liquid, enhancing mass transfer and making benzene better dispersed in the absorbent. 0.68 g benzene emissions could be absorbed by a gram of [bmim]FeCl4, 0.27 and 0.40 g/ghigher than that by [bmim]PF6 and [bmim]BF4, respectively. The absorption rate increased with increasing rotation rate of the permanent magnet.

  16. Application of Ionic Liquids for Tc Recovery from Aqueous Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Stepinski, Dominique C.; Shkrob, Ilya A.; Vandegrift, George F. [Argonne National Laboratory, Chemical Sciences and Engineering Division, 9700 S. Cass Ave, Argonne, IL 60439 (United States); Wishart, James F. [Brookhaven National Laboratory (United States); Dietz, Mark L. [University of Wisconsin at Milwaukee (United States)

    2009-06-15

    Removal of technetium (Tc) from spent fuel waste is important because of its high mobility and long half-life. Current method of removal of Tc(VII) from the Tc product stream of the UREX process is a lengthy and complicated process which involves a multi-step chemical reduction of Tc from aqueous solution. Ionic liquids (ILs) have a potential to simplify separation and reduction of Tc from spent fuel streams. Studies of the extraction of actinides and fission products into ILs have demonstrated that these solvents can yield metal ion extraction efficiencies far exceeding those obtained in conventional liquid-liquid systems. Furthermore, ionic liquids are finding an increasing number of applications in electrodeposition of metals as their electrochemical window can reach more than 4 V and thus gives access to a number of elements that can not be electrodeposited from aqueous solutions. These finding suggest that ionic liquids can be used for separation of pertechnetate and subsequent electrodeposition on an electrode, to produce a metallic waste form. In this presentation we will present our progress on examining ionic liquids based extraction media for the separation of Tc(VII) from aqueous ammonia solutions. (authors)

  17. Recent Advances in Understanding the Reactivity of Energetic Ionic Liquids in Propulsion Applications

    Science.gov (United States)

    2014-08-12

    hour per response, including the time for reviewing instructions, searching existing data sources , gathering and maintaining the data needed, and...Thermal decomposition of ionic liquids – Basicity & nucleophilicity • gas phase vs. GIL model • Reactive scattering • VUV -PIMS of catalytic ionic...for public release; distribution unlimited IL vapor source reflectron MS 7.4-15.0 eV photons, 0.025 eV resolution ALS: Chemical Dynamics Beamline

  18. Impact of gate geometry on ionic liquid gated ionotronic systems

    Science.gov (United States)

    Wong, A. T.; Noh, J. H.; Pudasaini, P. R.; Wolf, B.; Balke, N.; Herklotz, A.; Sharma, Y.; Haglund, A. V.; Dai, S.; Mandrus, D.; Rack, P. D.; Ward, T. Z.

    2017-04-01

    Ionic liquid electrolytes are gaining widespread application as a gate dielectric used to control ion transport in functional materials. This letter systematically examines the important influence that device geometry in standard "side gate" 3-terminal geometries plays in device performance of a well-known oxygen ion conductor. We show that the most influential component of device design is the ratio between the area of the gate electrode and the active channel, while the spacing between these components and their individual shapes has a negligible contribution. These findings provide much needed guidance in device design intended for ionotronic gating with ionic liquids.

  19. Preparation and Characterization of New Type Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A new type of ionic liquids containing cation of diacetone acrylamide [or N-(1,1- bismethyl-3-oxo-butyl)acrylamide] and anions such as CH3COO-(Ac), CF3COO(-(TF), BF4-(BF), PF6-(PF), HSO4-(SO) and Cl-(Cl) were prepared by normal neutralization.The obtained ionic liquids were identified by FT-IR and 1H NMR spectroscopy.However, their properties such as melting point, conductivity, viscosity etc.were determined.

  20. Preparation of microfibers from wood/ionic liquid solutions.

    Science.gov (United States)

    Polaskova, Martina; Cermak, Roman; Verney, Vincent; Ponizil, Petr; Commereuc, Sophie; Gomes, Margarida F Costa; Padua, Agilio A H; Mokrejs, Pavel; Machovsky, Michal

    2013-01-30

    Two types of ionic liquids, 1-ethyl-3-methylimidazolim acetate and 1-ethyl-3-methylimidazolium lactate, were employed for the direct processing of pine wood into microfibers. The concentration of 5 wt.% of wood in ionic liquids was rated as the most appropriate for electrospinning. The fibers were electrospun into the collector water bath. The final structure varied from individual microfibers to fiber bundles. It was demonstrated that 1-ethyl-3-methylimidazolium lactate is a powerful solvent and provides the direct transformation of pristine pine wood into the non-wovens.

  1. The evaporation study of silicon-containing ionic liquid

    Science.gov (United States)

    Chilingarov, Norbert S.; Medvedev, Artem A.; Deyko, Grigoriy S.; Kustov, Leonid M.; Chernikova, Elena A.; Glukhov, Lev M.; Polyakova, Marina V.; Ioutsi, Vitaliy A.; Markov, Vitaliy Yu.; Sidorov, Lev N.

    2016-07-01

    1,2-Dimethyl-3-(1‧,1‧,3‧,3‧-tetramethyl-3‧-phenyldisiloxanyl)methylimidazolium bis(trifluoromethanesulfonyl)amide ([PhC5OSi2MMIm+][Tf2N-]) is the first silicon-containing ionic liquid which was characterized with the vaporization enthalpy, (138.5 ± 1.8) kJ mol-1, and saturated vapor pressure, ln(p/Pa) = -(16656 ± 219)/(T/K) + (30.69 ± 0.92). This compound is a unique ionic liquid giving ions, retaining both cationic and anionic portions, in the electron impact ionization (EI) mass spectrum.

  2. Synthesis of novel ionic liquids from lignin-derived compounds

    Energy Technology Data Exchange (ETDEWEB)

    Socha, Aaron; Singh, Seema; Simmons, Blake A.; Bergeron, Maxime

    2017-09-19

    Methods and compositions are provided for synthesizing ionic liquids from lignin derived compounds comprising: contacting a starting material comprising lignin with a depolymerization agent to depolymerize the lignin and form a mixture of aldehyde containing compounds; contacting the mixture of aldehyde containing compounds with an amine under conditions suitable to convert the mixture of aldehyde containing compounds to a mixture of amine containing compounds; and contacting the mixture of amine containing compounds with an acid under conditions suitable to form an ammonium salt, thereby preparing the ionic liquid.

  3. Energetic Ionic Liquids Based on Lanthanide Nitrate Complex Anions (Postprint)

    Science.gov (United States)

    2008-01-01

    xH2O (x=27–44) [5a] and lanthanide complexes of the pseudohalide SCN in the hydrolytically unstable [ bmim ]4Ln ACHTUNGTRENNUNG(SCN)7·H2O ( bmim =1-butyl-3...Wiley-VCH Verlag GmbH&Co. KGaA, Weinheim These are not the final page numbers! &1& FULL PAPER cal ionic liquids. The instability of [ bmim ]4Ln... bmim ]4Ln ACHTUNGTRENNUNG(SCN)7·H2O ionic liquids by displacing the isothiocyanate ligand.[5b] In our syntheses, guanidinium ni- trate and lanthanum or

  4. Ion pair formation in [bmim]I ionic liquids.

    Science.gov (United States)

    Katoh, Ryuzi; Hara, Mikiya; Tsuzuki, Seiji

    2008-12-04

    Ion pair formation between [bmim](+) and iodide has been studied in acetonitrile solutions and in ionic liquids. In solution, absorption spectra change remarkably with concentration, indicating the formation of charge transfer (CT) complexes. The shape of CT complex spectra can be explained by ab initio molecular orbital calculations. On the basis of the results from the solution and spectroscopic absorption measurements, we confirmed that CT complexes were formed in neat [bmim]I ionic liquid. High stability of the CT complex is demonstrated by the temperature dependence of near-IR absorption measurements.

  5. A quantum mechanical study of alkylimidazolium halide ionic liquids

    Science.gov (United States)

    Li, Wei; Qi, Chuansong; Rong, Hua; Wu, Xinmin; Gong, Liangfa

    2012-07-01

    Thirty imidazolium (IM) halide compounds were studied using quantum chemical calculations. Geometry optimization and interaction energy calculations were performed using the B3LYP/6-311++G(d,p) method for ions composed of one alkylimidazolium cation and two or three halogen anions. The obtained structures were consistent with experimental results. In addition, a linear correlation between melting points and interaction energies was obtained for the compounds studied, and this relationship was consistent with that obtained for amino acid cation based ionic liquids. Our Letter demonstrates the potential for quantum mechanical calculations to predict the melting points of ionic liquids.

  6. Thermal decomposition mechanisms of alkylimidazolium ionic liquids with cyano-functionalized anions.

    Science.gov (United States)

    Chambreau, Steven D; Schenk, Adam C; Sheppard, Anna J; Yandek, Gregory R; Vaghjiani, Ghanshyam L; Maciejewski, John; Koh, Christine J; Golan, Amir; Leone, Stephen R

    2014-11-26

    Because of the unusually high heats of vaporization of room-temperature ionic liquids (RTILs), volatilization of RTILs through thermal decomposition and vaporization of the decomposition products can be significant. Upon heating of cyano-functionalized anionic RTILs in vacuum, their gaseous products were detected experimentally via tunable vacuum ultraviolet photoionization mass spectrometry performed at the Chemical Dynamics Beamline 9.0.2 at the Advanced Light Source. Experimental evidence for di- and trialkylimidazolium cations and cyano-functionalized anionic RTILs confirms thermal decomposition occurs primarily through two pathways: deprotonation of the cation by the anion and dealkylation of the imidazolium cation by the anion. Secondary reactions include possible cyclization of the cation and C2 substitution on the imidazolium, and their proposed reaction mechanisms are introduced here. Additional evidence supporting these mechanisms was obtained using thermal gravimetric analysis-mass spectrometry, gas chromatography-mass spectrometry, and temperature-jump infrared spectroscopy. In order to predict the overall thermal stability in these ionic liquids, the ability to accurately calculate both the basicity of the anions and their nucleophilicity in the ionic liquid is critical. Both gas phase and condensed phase (generic ionic liquid (GIL) model) density functional theory calculations support the decomposition mechanisms, and the GIL model could provide a highly accurate means to determine thermal stabilities for ionic liquids in general.

  7. Can the Transport Properties of Molten Salts and Ionic Liquids Be Used To Determine Ion Association?

    Science.gov (United States)

    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.

  8. Catalytic pyrolysis of cellulose in ionic liquid [bmim]OTf.

    Science.gov (United States)

    Qu, Guangfei; He, Weiwei; Cai, Yingying; Huang, Xi; Ning, Ping

    2016-09-05

    This study discussed the catalytic cracking process of cellulose in ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([bmim]OTF) under 180°C, 240°C and 340°C, found that [bmim]OTF is an effective catalyst which can effectively reduce the pyrolysis temperature(nearly 200°C) of the cellulose. FRIR, XRD and SEM were used to analyze the structure characterization of fiber before and after the cracking; GC-MS was used for liquid phase products analysis; GC was used to analyze gas phase products. The results showed that the cellulose pyrolysis in [bmim]OTf mainly generated CO2, CO and H2, also generated 2-furfuryl alcohol, 2,5-dimethyl-1,5-diallyl-3-alcohol, 1,4-butyrolactone, 5-methyl furfural, 4-hydroxy butyric acid, vinyl propionate, 1-acetoxyl group-2-butanone, furan formate tetrahydrofuran methyl ester liquid product, and thus simulated the evolution mechanism of cellulose pyrolysis products based on the basic model of cellulose monomer.

  9. Spectroscopic analysis of 1-butyl-2,3-dimethylimidazolium ionic liquids: Cation-anion interactions

    Science.gov (United States)

    Men, Shuang; Jiang, Jing; Licence, Peter

    2017-04-01

    In this study, four 1-butyl-2,3-dimethylimidazolium ionic liquids are analysed by X-ray photoelectron spectroscopy, together with three 1-butyl-3-methylimidazolium ionic liquids. A reliable fitting model for the carbon 1s region of 1-butyl-2,3-dimethylimidazolium ionic liquids is modified according to established models. The effect of the anion on the electronic environment of the cation is explored based upon the comparison between measured binding energies of nitrogen 1s and the hydrogen bond acceptor ability. The effect of the cation on the cation-anion interaction is also demonstrated by carefully comparing the hydrogen bond donating ability of different cations, with a definite anion.

  10. Charge Transport and Glassy Dynamics in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Sangoro, Joshua R [ORNL; Kremer, Friedrich [University of Leipzig

    2012-01-01

    Ionic liquids (ILs) exhibit unique features such as low melting points, low vapor pressures, wide liquidus temperature ranges, high thermal stability, high ionic conductivity, and wide electrochemical windows. As a result, they show promise for use in variety of applications: as reaction media, in batteries and supercapacitors, in solar and fuel cells, for electrochemical deposition of metals and semiconductors, for protein extraction and crystallization, and many others. Because of the ease with which they can be supercooled, ionic liquids offer new opportunities to investigate long-standing questions regarding the nature of the dynamic glass transition and its possible link to charge transport. Despite the significant steps achieved from experimental and theoretical studies, no generally accepted quantitative theory of dynamic glass transition to date has been capable of reproducing all the experimentally observed features. In this Account, we discuss recent studies of the interplay between charge transport and glassy dynamics in ionic liquids as investigated by a combination of several experimental techniques including broadband dielectric spectroscopy, pulsed field gradient nuclear magnetic resonance, dynamic mechanical spectroscopy, and differential scanning calorimetry. Based on EinsteinSmoluchowski relations, we use dielectric spectra of ionic liquids to determine diffusion coefficients in quantitative agreement with independent pulsed field gradient nuclear magnetic resonance measurements, but spanning a broader range of more than 10 orders of magnitude. This approach provides a novel opportunity to determine the electrical mobility and effective number density of charge carriers as well as their types of thermal activation from the measured dc conductivity separately. We also unravel the origin of the remarkable universality of charge transport in different classes of glass-forming ionic liquids.

  11. Liquid-Mercury-Supported Langmuir Films of Ionic Liquids: Isotherms, Structure, and Time Evolution.

    Science.gov (United States)

    Elfassy, Eitan; Mastai, Yitzhak; Pontoni, Diego; Deutsch, Moshe

    2016-04-05

    Ionic liquids have been intensively developed for the last few decades and are now used in a wide range of applications, from electrochemistry to catalysis and nanotechnology. Many of these applications involve ionic liquid interfaces with other liquids and solids, the subnanometric experimental study of which is highly demanding, and has been little studied to date. We present here a study of mercury-supported Langmuir films of imidazolium-based ionic liquids by surface tensiometry and X-ray reflectivity. The charge-delocalized ionic liquids studied here exhibit no 2D lateral order but show diffuse surface-normal electron density profiles exhibiting gradual mercury penetration into the ionic liquid film, and surface-normal structure evolution over a period of hours. The effect of increasing the nonpolar alkyl chain length was also investigated. The results obtained provide insights into the interactions between these ionic liquids and liquid mercury and about the time evolution of the structure and composition of their interface.

  12. Study on extraction-oxidation desulfurization of model oil by acidic ionic liquid%酸性离子液体萃取-氧化模拟油品脱硫研究

    Institute of Scientific and Technical Information of China (English)

    张存; 王峰; 潘小玉; 刘晓勤

    2011-01-01

    以酸性离子液体N-羧甲基吡啶硫酸氧盐([ CH2 COOHPy ] HS04)为萃取剂和催化剂,过氧化氢为氧化剂,用于模拟油品(二苯并噻吩溶于正辛烷配制而成)萃取-氧化脱硫反应,考察过氧化氢用量、离子液体用量、反应温度和反应时间对脱硫率的影响.研究结果表明,当氧硫摩尔比( H202/S)为6,在10mL模拟油品中加入0.6mL离子液体,50℃下反应40min,脱硫率可达99.7%.离子液体循环再生使用5次,脱硫率没有明显下降.%Acidic ionic liquid N-carboxymethylpyridine hydrosulphate ( [CH2COOHPy]HSO4) as the extractant and catalyst, and hydrogen peroxide as the oxidant were used to the extraction-oxidation desulphurization of model oil (dibenzothiophene dissolved in n-octane). The effects of the amounts of hydrogen peroxide and ionic liquid, reaction temperature and reaction time on the sulfur removal were investigated. The results show that when molar ratio of sulfur to H2O2 is 1 -6, volume ratio of ionic liquid to model oil is 0.6 : 10, and reaction time is 40 min at 50 t, the sulfur removal of model oil can reach 99. 7%. The ionic liquid can be recycled 5 times without obvious decrease in the sulfur removal.

  13. Ionic Liquids as Novel Lubricants and Additives for Diesel Engine Applications

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Jun [ORNL; Blau, Peter Julian [ORNL; Dai, Sheng [ORNL; Luo, Huimin [ORNL; Meyer III, Harry M [ORNL

    2009-01-01

    The lubricating properties of two ionic liquids with the same anion but different cations, one ammonium IL [C8H17]3NH.Tf2N and one imidazolium IL C10mim.Tf2N, were evaluated both in neat form and as oil additives. Experiments were conducted using a standardized reciprocating sliding test using a segment of a Cr-plated diesel engine piston ring against a grey cast iron flat specimen with simulated honing marks as on the engine cylinder liner. The selected ionic liquids were benchmarked against conventional hydrocarbon oils. Substantial friction and wear reductions, up to 55% and 34%, respectively, were achieved for the neat ionic liquids compared to a fully-formulated 15W40 engine oil. Adding 5 vol% ILs into mineral oil has demonstrated significant improvement in the lubricity. One blend even outperformed the 15W40 engine oil with 9% lower friction and 34% less wear. Lubrication regime modeling, worn surface morphology examination, and surface chemical analysis were conducted to help understand the lubricating mechanisms for ionic liquids. Results suggest great potential for using ionic liquids as base lubricants or lubricant additives for diesel engine applications.

  14. Different antibacterial activity of novel theophylline-based ionic liquids - Growth kinetic and cytotoxicity studies.

    Science.gov (United States)

    Borkowski, Andrzej; Ławniczak, Łukasz; Cłapa, Tomasz; Narożna, Dorota; Selwet, Marek; Pęziak, Daria; Markiewicz, Bartosz; Chrzanowski, Łukasz

    2016-08-01

    The aim of this study was to investigate novel theophylline-based ionic liquids and their cytotoxic effects towards model Gram-positive and Gram-negative bacteria (Bacillus cereus and Escherichia coli, respectively). Growth kinetics, respiratory rates and dehydrogenase activities were studied in the presence of ionic liquids at concentrations ranging from 10 to 1000mg/L. Additionally, the influence of ionic liquids on bacterial cells associated with specific interactions based on the structure of cell wall was evaluated. This effect was assessed by viability tests and scanning electron microscope observations. The obtained results confirmed that ionic liquids exhibit different levels of toxicity in relation to Gram-positive and Gram-negative bacteria. Those effects are associated with the chemical structure of the cationic species of the ionic liquids and their critical micelle concentration value. It was established that the presence of an alkyl or allyl group increased the toxicity, whereas the presence of an aryl group in the cation decreased the toxic effect of ILs. Results presented in this study also revealed unexpected effects of self-aggregation of E. coli cells. Overall, it was established that the studied ILs exhibited higher toxicity towards Gram-positive bacteria due to different interactions between the ILs and the cell membranes. These findings may be of importance for the design of ILs with targeted antimicrobial properties.

  15. Ambient Ionic Liquids Used in the Reduction ofAldehydes and Ketones

    Institute of Scientific and Technical Information of China (English)

    Dan Qian XU; Shu Ping LUO; Bao You LIU; Zhen Yuan XU; Yin Chu SHEN

    2004-01-01

    The sodium borohydride reduction of aldehydes and ketones to corresponding alcohols has been accomplished via the use of ionic liquids. The alcohols are easily obtained with excellent yields and the ionic liquid BMImBF4 could be reused.

  16. Ionic liquid effects on Mizoroki-Heck reactions: more than just carbene complex formation.

    Science.gov (United States)

    Gyton, Matthew R; Cole, Marcus L; Harper, Jason B

    2011-08-28

    Reaction profiles for a Mizoroki-Heck reaction in either an ionic liquid or a molecular solvent with different palladium sources demonstrate that the rate enhancements observed in ionic liquids cannot be solely attributed to Pd-carbene complex formation.

  17. Ionic conductance behavior of polymeric gel electrolyte containing ionic liquid mixed with magnesium salt

    Science.gov (United States)

    Morita, Masayuki; Shirai, Takahiro; Yoshimoto, Nobuko; Ishikawa, Masashi

    A new polymeric gel electrolyte system conducting magnesium ion has been proposed. The gel electrolytes consisted of poly(ethylene oxide)-modified polymethacrylate (PEO-PMA) dissolving ionic liquid mixed with magnesium salt, Mg[(CF 3SO 2) 2N] 2. The polymeric gel films were self-standing, transparent and flexible with enough mechanical strength. The ionic conductance and the electrochemical properties of the gel films were investigated. Thermal analysis results showed that the polymeric gel is homogeneous and amorphous over a wide temperature range. The highest conductivity, 1.1 × 10 -4 S cm -1 at room temperature (20 °C), was obtained for the polymeric gel containing 50 wt.% of the ionic liquid in which the content of the magnesium salt was 20 mol%. The dc polarization of a Pt/Mg cell using the polymeric gel electrolyte proved that the magnesium ion (Mg 2+) is mobile in the present polymeric system.

  18. Salting-out effect of ionic liquids on isobaric vapor-liquid equilibrium of acetonitrile-water system☆

    Institute of Scientific and Technical Information of China (English)

    Jing Fang; Rui Zhao; Hui Wang; Chunli Li; Jing Liu

    2015-01-01

    This paper presents the vapor–liquid equilibrium (VLE) data of acetonitrile–water system containing ionic liquids (ILs) at atmospheric pressure (101.3 kPa). Since ionic liquids dissociate into anions and cations, the VLE data for the acetonitrile+water+ILs systems are correlated by salt effect models, Furter model and improved Furter model. The overall average relative deviation of Furter model and improved Furter model is 5.43%and 4.68%, respectively. Thus the salt effect models are applicable for the correlation of IL containing systems. The salting-out effect theory can be used to explain the change of relative volatility of acetonitrile–water system.

  19. Influence of the molecular-oriented structure of ionic liquids on the crystallinity of aluminum hydroxide prepared by a sol-gel process in ionic liquids.

    Science.gov (United States)

    Kinoshita, K; Yanagimoto, H; Suzuki, T; Minami, H

    2015-07-28

    The influence of the structure of ionic liquids on the crystallinity of aluminum hydroxide (Al(OH)3) prepared by a sol-gel process with aluminum isopropoxide (Al(OPr(i))3) in imidazolium-based ionic liquids was investigated. When Al(OH)3 was prepared in ionic liquids having long alkyl chains, such as 1-butyl-3-methylimidazolium salts and 1-methyl-3-octylimidazolium salts, highly crystalline products were obtained. In contrast, Al(OH)3 obtained using the 1-ethyl-3-methylimidazolium salt was an amorphous material, indicating that hydrophobic interaction of the alkyl tail of the imidazolium cation of the ionic liquid strongly affects the crystallinity of sol-gel products and the local structure of the ionic liquid. Moreover, the crystallinity of Al(OH)3 prepared in ionic liquids increased relative to the amount of additional water (ionic liquid/water = 1.28/2.0-3.5/0.2, w/w). In the case of addition of a small amount of water (ionic liquid/water = 3.5/0.2, w/w), the product was amorphous. These results implied that the presence of an ionic liquid and a sufficient amount of water was crucial for the successful synthesis of sol-gel products with high crystallinity. (1)H NMR analyses revealed a shift of the peak associated with the imidazolium cation upon addition of water, which suggested that the molecular orientation of the ionic liquid was similar to that of a micelle.

  20. Nonlinear polarization of ionic liquids: theory, simulations, experiments

    Science.gov (United States)

    Kornyshev, Alexei

    2010-03-01

    Room temperature ionic liquids (RTILs) composed of large, often asymmetric, organic cations and simple or complex inorganic or organic anions do not freeze at ambient temperatures. Their rediscovery some 15 years ago is widely accepted as a ``green revolution'' in chemistry, offering an unlimited number of ``designer'' solvents for chemical and photochemical reactions, homogeneous catalysis, lubrication, and solvent-free electrolytes for energy generation and storage. As electrolytes they are non-volatile, some can sustain without decomposition up to 6 times higher voltages than aqueous electrolytes, and many are environmentally friendly. The studies of RTILs and their applications have reached a critical stage. So many of them can be synthesized - about a thousand are known already - their mixtures can further provide ``unlimited'' number of combinations! Thus, establishing some general laws that could direct the best choice of a RTIL for a given application became crucial; guidance is expected from theory and modelling. But for a physical theory, RTILs comprise a peculiar and complex class of media, the description of which lies at the frontier line of condensed matter theoretical physics: dense room temperature ionic plasmas with ``super-strong'' Coulomb correlations, which behave like glasses at short time-scale, but like viscous liquids at long-time scale. This talk will introduce RTILs to physicists and overview the current understanding of the nonlinear response of RTILs to electric field. It will focus on the theory, simulations, and experimental characterisation of the structure and nonlinear capacitance of the electrical double layer at a charged electrode. It will also discuss pros and contras of supercapacitor applications of RTILs.

  1. Applications of Ionic Liquids in Electrochemical Sensors and Biosensors

    OpenAIRE

    Virendra V. Singh; Anil K. Nigam; Anirudh Batra; Mannan Boopathi; Beer Singh; Rajagopalan Vijayaraghavan

    2012-01-01

    Ionic liquids (ILs) are salt that exist in the liquid phase at and around 298 K and are comprised of a bulky, asymmetric organic cation and the anion usually inorganic ion but some ILs also with organic anion. ILs have attracted much attention as a replacement for traditional organic solvents as they possess many attractive properties. Among these properties, intrinsic ion conductivity, low volatility, high chemical and thermal stability, low combustibility, and wide electrochemical windows a...

  2. Partition coefficients of organic compounds between water and imidazolium-, pyridinium-, and phosphonium-based ionic liquids.

    Science.gov (United States)

    Padró, Juan M; Pellegrino Vidal, Rocío B; Reta, Mario

    2014-12-01

    The partition coefficients, P IL/w, of several compounds, some of them of biological and pharmacological interest, between water and room-temperature ionic liquids based on the imidazolium, pyridinium, and phosphonium cations, namely 1-octyl-3-methylimidazolium hexafluorophosphate, N-octylpyridinium tetrafluorophosphate, trihexyl(tetradecyl)phosphonium chloride, trihexyl(tetradecyl)phosphonium bromide, trihexyl(tetradecyl)phosphonium bis(trifluoromethylsulfonyl)imide, and trihexyl(tetradecyl)phosphonium dicyanamide, were accurately measured. In this way, we extended our database of partition coefficients in room-temperature ionic liquids previously reported. We employed the solvation parameter model with different probe molecules (the training set) to elucidate the chemical interactions involved in the partition process and discussed the most relevant differences among the three types of ionic liquids. The multiparametric equations obtained with the aforementioned model were used to predict the partition coefficients for compounds (the test set) not present in the training set, most being of biological and pharmacological interest. An excellent agreement between calculated and experimental log P IL/w values was obtained. Thus, the obtained equations can be used to predict, a priori, the extraction efficiency for any compound using these ionic liquids as extraction solvents in liquid-liquid extractions.

  3. Video-microscopic observation of ionic liquid/alcohol interface and the corresponding molecular simulation study

    Science.gov (United States)

    Zhu, Peixi

    This research is aimed at studying the ionic liquid/n-pentanol interface via video-microscopy and molecular dynamic simulations. Understanding the interfacial phenomena and interfacial transport between ionic liquids and other liquids is of interest to the development and application of ionic liquids in a number of areas. One such area is the biphasic hydroformylation of alkenes to obtain alcohol and aldehyde, in which case ionic liquid is the reaction medium where a catalyst resides. The dissolution of an ionic liquid into an alcohol was studied by microscopically observing and measuring the shrinking of a micropipette-produced droplet in real time. Although microscopic investigation of droplet dissolution has been studied before, no attempt had been made to measure the diffusion coefficient D of the droplet species in the surrounding medium. A key finding of this work is that the Epstein-Plesset mathematical model, which describes the dissolution of a droplet/bubble in another fluid medium, can be used to measure D. Other experimental studies of the ionic liquid/alcohol system include electrical conductivity and UV-visible spectroscopy measurements of solutions of 1-hexyl-3-methylimidazolium tetrafluoroborate in n-pentanol. Those experiments were done in order to understand the molecular state of the particular ionic liquid in n-pentanol, as well as obtaining the dissociation constant K of such weak electrolyte solution. The experimental results provide an entry to the assessment of ionic liquid interaction with n-pentanol at molecular scale. Subsequently, molecular dynamics simulation was implemented for the investigation of such interaction. The computation started with simulation of the bulk phase of 1-butyl-3-methylimidazolium tetrafluoroborate, an affine ionic liquid on which molecular simulations had already been reported. A generalized probability based on Fuoss approximation for the closest ion to a distinguished countercharge ion was developed. In

  4. Synthesis of multi-hydroxyl and sulfonyl dual-functionalized room temperature ionic liquids

    Institute of Scientific and Technical Information of China (English)

    Guo Yang Zhu; Rong Wang; Guo Hua Liu; Li Qun Xu; Bei Zhang; Xia Qin Wu

    2007-01-01

    Starting from the hydroxylamine (dimethyl amino ethanol, triethanolamine) and 1,3-propane sultone, a series of hydroxyl and sulfonyl dual-functionalized zwitterionic salts and corresponding acidic room temperature ionic liquids have been synthesized.The hydroxyl groups of the synthesized substances were confirmed by the 1H NMR measurement.These zwitterionic salts and ionic liquids may be used for synthesizing other functionalized ionic liquids or ionic liquid-polymer (polyelectrolyte).

  5. Ternary liquid–liquid equilibria for mixtures of toluene + n-heptane + an ionic liquid

    NARCIS (Netherlands)

    Meindersma, G. Wytze; Podt, Anita J.G.; Haan, de André B.

    2006-01-01

    This research has been focused on a study of sulfolane and four ionic liquids as solvents in liquid–liquid extraction. Liquid–liquid equilibria data were obtained for mixtures of (sulfolane or 4-methyl-N-butylpyridinium tetrafluoroborate ([mebupy]BF4) or 1-ethyl-3-methylimidazolium ethylsulfate ([em

  6. Transition metal catalysed ammonia-borane dehydrogenation in ionic liquids.

    Science.gov (United States)

    Wright, William R H; Berkeley, Emily R; Alden, L R; Baker, R Tom; Sneddon, Larry G

    2011-03-21

    Significant advantages result from combining the disparate hydrogen release pathways for ammonia-borane (AB) dehydrogenation using ionic liquids (ILs) and transition metal catalysts. With the RuCl(2)(PMe(3))(4) catalyst precursor, AB dehydrogenation selectivity and extent are maximized in an IL with a moderately coordinating ethylsulfate anion.

  7. A novel cellulose hydrogel prepared from its ionic liquid solution

    Institute of Scientific and Technical Information of China (English)

    LI Lu; LIN ZhangBi; YANG Xiao; WAN ZhenZhen; CUI ShuXun

    2009-01-01

    A novel cellulose hydrogel is prepared by regenerating cellulose from its ionic liquid solution. The transparency cellulose hydrogel presents a good chemical stability and an acceptable mechanical property. This non-toxic cellulose hydrogel should be biocompatibie and may be useful in the future as a biomaterial.

  8. Finkelstein Reaction in Functionalized Crown-ether Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    Xiao Hua WANG; Han Zhi WANG; Hui LIU; Yuan KOU

    2006-01-01

    Functional crown-ether ionic liquids were used as catalytic green solvents of Finkelstein reaction of 1-bromooctane and iodide. The rate and yield of the reaction were obvious improved compared with that using crown ether in water. No free crown ether loss was observed after reaction.

  9. Electropolymerization of O-Phenylenediamine in an Ionic Liquid

    Institute of Scientific and Technical Information of China (English)

    Yan Fang DU; Xi Min QI; Peng ZHAO; Jia Xing LU; Ming Yuan HE

    2004-01-01

    Ionic liquid like 1-ethyl-3-methylimidazolium bromine ([EMIM]Br) has been used as electrolyte for the electropolymerization of O-phenylenediamine at glassy carbon electrode by cyclic voltammetry. It is found that poly (O-phenylenediamine) film modified electrode has favorable electrochemical activity in acid solution.

  10. Structural transitions of CTAB micelles in a protic ionic liquid.

    Science.gov (United States)

    López-Barrón, Carlos R; Wagner, Norman J

    2012-09-04

    Micellar solutions of hexadecyltrimethylammonium bromide (CTAB) in a protic ionic liquid, ethylammonium nitrate (EAN), are studied by shear rheology, polarizing optical microscopy (POM), conductivity measurements, and small angle neutron scattering (SANS). Three concentration regimes are examined: A dilute regime (with concentrations [CTAB] concentrated regime (45 wt % conductivity is not sensitive to the L(1)-Hex transition, which corroborates the absence of topological transitions.

  11. Polyanions in liquid ionic alloys : A decade of research

    NARCIS (Netherlands)

    vanderLugt, W

    1996-01-01

    The occurrence of polyanions in a group of liquid ionic alloys, viz alloys of the alkali metals with 13, 14, 15 and 16 elements (post-transition-metal groups 3, 4, 5 and 6), is discussed. It is shown that there are strong parallels with the corresponding crystalline phases, in which polyanions such

  12. Ionic liquid-cellulose film for enzyme immobilization

    NARCIS (Netherlands)

    Klein, Manuela Poletto; Scheeren, Carla Weber; Glock Lorenzoni, Andre Soibelmann; Dupont, Jairton; Frazzon, Jeverson; Hertz, Plinho Francisco

    2011-01-01

    beta-Galactosidase was immobilized in an ionic liquid-cellulose film that presents properties as increased flexibility and formability. A polyamine was added during the preparation of the film and their presence was detected by infrared analysis. Glutaraldehyde was used to activate the films in orde

  13. Ionic liquid-facilitated preparation of lignocellulosic composites

    Science.gov (United States)

    Lignocellulosic composites (LCs) were prepared by partially dissolving cotton along with steam exploded Aspen wood and burlap fabric reinforcements utilizing an ionic liquid (IL) solvent. Two methods of preparation were employed. In the first method, a controlled amount of IL was added to preassembl...

  14. Protic Cationic Oligomeric Ionic Liquids of the Urethane Type

    DEFF Research Database (Denmark)

    Shevchenko, V. V.; Stryutsky, A. V.; Klymenko, N. S.

    2014-01-01

    Protic oligomeric cationic ionic liquids of the oligo(ether urethane) type are synthesized via the reaction of an isocyanate prepolymer based on oligo(oxy ethylene)glycol with M = 1000 with hexamethylene-diisocyanate followed by blocking of the terminal isocyanate groups with the use of amine...

  15. Thermoelectric Power in Bilayer Graphene Device with Ionic Liquid Gating.

    Science.gov (United States)

    Chien, Yung-Yu; Yuan, Hongtao; Wang, Chang-Ran; Lee, Wei-Li

    2016-01-01

    The quest for materials showing large thermoelectric power has long been one of the important subjects in material science and technology. Such materials have great potential for thermoelectric cooling and also high figure of merit ZT thermoelectric applications. We have fabricated bilayer graphene devices with ionic-liquid gating in order to tune its band gap via application of a perpendicular electric field on a bilayer graphene. By keeping the Fermi level at charge neutral point during the cool-down, we found that the charge puddles effect can be greatly reduced and thus largely improve the transport properties at low T in graphene-based devices using ionic liquid gating. At (Vig, Vbg) = (-1 V, +23 V), a band gap of about 36.6 ± 3 meV forms, and a nearly 40% enhancement of thermoelectric power at T = 120 K is clearly observed. Our works demonstrate the feasibility of band gap tuning in a bilayer graphene using ionic liquid gating. We also remark on the significant influence of the charge puddles effect in ionic-liquid-based devices.

  16. Room-Temperature Ionic Liquids for Electrochemical Capacitors

    Science.gov (United States)

    Fireman, Heather; Yowell, Leonard; Moloney, Padraig G.; Arepalli, Sivaram; Nikolaev, P.; Huffman, C.; Ready, Jud; Higgins, C.D.; Turano, S. P.; Kohl, P.A.; Kim, K.

    2009-01-01

    A document discusses room-temperature ionic liquids (RTILs) used as electrolytes in carbon-nanotube-based, electrochemical, double-layer capacitors. Unlike the previous electrolyte (EtNB4 in acetonitrile), the RTIL used here does not produce cyanide upon thermal decomposition and does not have a moisture sensitivity.

  17. Lunar Oxygen Production and Metals Extraction Using Ionic Liquids

    Science.gov (United States)

    Marone, Matthew; Paley, Mark Steven; Donovan, David N.; Karr, Laurel J.

    2009-01-01

    Initial results indicate that ionic liquids are promising media for the extraction of oxygen from lunar regolith. IL acid systems can solubilize regolith and produce water with high efficiency. IL electrolytes are effective for water electrolysis, and the spent IL acid media are capable of regeneration.

  18. Enzymatic isomerization of glucose and xylose in ionic liquids

    DEFF Research Database (Denmark)

    Ståhlberg, Tim Johannes Bjarki; Woodley, John; Riisager, Anders

    2012-01-01

    Glucose isomerase has been found for the first time to catalyze the isomerization of glucose to fructose in the ionic liquid N, N-dibutylethanolammonium octanoate (DBAO). Isomerization was achieved at temperatures of 60-80 degrees C although a substantial amount of mannose was formed at elevated...

  19. Recent Developments in Chemical Synthesis with Biocatalysts in Ionic Liquids.

    Science.gov (United States)

    Potdar, Mahesh K; Kelso, Geoffrey F; Schwarz, Lachlan; Zhang, Chunfang; Hearn, Milton T W

    2015-09-15

    Over the past decade, a variety of ionic liquids have emerged as greener solvents for use in the chemical manufacturing industries. Their unique properties have attracted the interest of chemists worldwide to employ them as replacement for conventional solvents in a diverse range of chemical transformations including biotransformations. Biocatalysts are often regarded as green catalysts compared to conventional chemical catalysts in organic synthesis owing to their properties of low toxicity, biodegradability, excellent selectivity and good catalytic performance under mild reaction conditions. Similarly, a selected number of specific ionic liquids can be considered as greener solvents superior to organic solvents owing to their negligible vapor pressure, low flammability, low toxicity and ability to dissolve a wide range of organic and biological substances, including proteins. A combination of biocatalysts and ionic liquids thus appears to be a logical and promising opportunity for industrial use as an alternative to conventional organic chemistry processes employing organic solvents. This article provides an overview of recent developments in this field with special emphasis on the application of more sustainable enzyme-catalyzed reactions and separation processes employing ionic liquids, driven by advances in fundamental knowledge, process optimization and industrial deployment.

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

    Science.gov (United States)

    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,...

  1. EVALUATING THE GREENNESS OF IONIC LIQUIDS VIA LIFE CYCLE ASSESSMENT

    Science.gov (United States)

    Ionic Liquids have been suggested as "greener" replacements to traditional solvents. However, the environmental impacts of the life cycle phases have not been studied. Such a "cradle to gate" Life Cycle Assessment (LCA) for comparing the environmental impact of various solvents...

  2. Recent Developments in Chemical Synthesis with Biocatalysts in Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Mahesh K. Potdar

    2015-09-01

    Full Text Available Over the past decade, a variety of ionic liquids have emerged as greener solvents for use in the chemical manufacturing industries. Their unique properties have attracted the interest of chemists worldwide to employ them as replacement for conventional solvents in a diverse range of chemical transformations including biotransformations. Biocatalysts are often regarded as green catalysts compared to conventional chemical catalysts in organic synthesis owing to their properties of low toxicity, biodegradability, excellent selectivity and good catalytic performance under mild reaction conditions. Similarly, a selected number of specific ionic liquids can be considered as greener solvents superior to organic solvents owing to their negligible vapor pressure, low flammability, low toxicity and ability to dissolve a wide range of organic and biological substances, including proteins. A combination of biocatalysts and ionic liquids thus appears to be a logical and promising opportunity for industrial use as an alternative to conventional organic chemistry processes employing organic solvents. This article provides an overview of recent developments in this field with special emphasis on the application of more sustainable enzyme-catalyzed reactions and separation processes employing ionic liquids, driven by advances in fundamental knowledge, process optimization and industrial deployment.

  3. High performance ultracapacitors with carbon nanomaterials and ionic liquids

    Science.gov (United States)

    Lu, Wen; Henry, Kent Douglas

    2012-10-09

    The present invention is directed to the use of carbon nanotubes and/or electrolyte structures in various electrochemical devices, such as ultracapacitors having an ionic liquid electrolyte. The carbon nanotubes are preferably aligned carbon nanotubes. Compared to randomly entangled carbon nanotubes, aligned carbon nanotubes can have better defined pore structures and higher specific surface areas.

  4. High performance batteries with carbon nanomaterials and ionic liquids

    Science.gov (United States)

    Lu, Wen

    2012-08-07

    The present invention is directed to lithium-ion batteries in general and more particularly to lithium-ion batteries based on aligned graphene ribbon anodes, V.sub.2O.sub.5 graphene ribbon composite cathodes, and ionic liquid electrolytes. The lithium-ion batteries have excellent performance metrics of cell voltages, energy densities, and power densities.

  5. X-ray Photoelectron Spectroscopy of Pyridinium-Based Ionic Liquids: Comparison to Imidazolium- and Pyrrolidinium-Based Analogues.

    Science.gov (United States)

    Men, Shuang; Mitchell, Daniel S; Lovelock, Kevin R J; Licence, Peter

    2015-07-20

    We investigate eight 1-alkylpyridinium-based ionic liquids of the form [Cn Py][A] by using X-ray photoelectron spectroscopy (XPS). The electronic environment of each element of the ionic liquids is analyzed. In particular, a reliable fitting model is developed for the C 1s region that applies to each of the ionic liquids. This model allows the accurate charge correction of binding energies and the determination of reliable and reproducible binding energies for each ionic liquid. Shake-up/off phenomena are determinedfor both C 1s and N 1s spectra. The electronic interaction between cations and anions is investigated for both simple ionic liquids and an example of an ionic-liquid mixture; the effect of the anion on the electronic environment of the cation is also explored. Throughout the study, a detailed comparison is made between [C8 Py][A] and analogues including 1-octyl-1-methylpyrrolidinium- ([C8 C1 Pyrr][A]), and 1-octyl-3-methylimidazolium- ([C8 C1 Im][A]) based samples, where X is common to all ionic liquids.

  6. Towards Phosphorus Free Ionic Liquid Anti-Wear Lubricant Additives

    Directory of Open Access Journals (Sweden)

    Anthony E. Somers

    2016-06-01

    Full Text Available The development of improved anti-wear additives would enable the use of lower viscosity oils that would lead to improved efficiency. Ionic liquids have the potential to be this type of new anti-wear additive. However, currently the best performing ionic liquids that are miscible in non-polar base oils, the phosphonium phosphates, contain phosphorus on both the cation and anion. Manufacturers are seeking to reduce the presence of phosphorus in oils. Here, as a first step towards phosphorus-free anti-wear additives, we have investigated ionic liquids similar to the phosphonium phosphates but having either a phosphorus-free cation or anion. Two quaternary ammonium phosphates (N6,6,6,14(BEHP and (N8,8,8,8(BEHP and a phosphonium silyl-sulfonate (P6,6,6,14(SSi were compared to a phosphonium phosphate (P6,6,6,14(BEHP and a traditional zinc dithiophosphate (ZDDP as anti-wear additives in mineral oil. The change from a phosphonium to a quaternary ammonium cation drastically reduced the miscibility of the Ionic liquid (IL in the oil, while the change to a smaller silicon containing anion also resulted in limited miscibility. For the pin-on-disk wear test conditions used here none of the ionic liquids outperformed the ZDDP except the (P6,6,6,14(BEHP at a relatively high loading of 0.10 mol·kg−1 (approximately 8 wt%. At a more moderate loading of 0.025 mol·kg−1 the (P6,6,6,14(SSi was the best performing ionic liquid by a significant amount, reducing the wear to 44% of the neat mineral oil, while the ZDDP reduced the wear to 25% of the mineral oil value. Electron microscopy and energy dispersive X-ray spectroscopy showed that the presence of a silicon containing tribofilm was responsible for this protective behaviour, suggesting that silicon containing ionic liquids should be further investigated as anti-wear additives for oils.

  7. Ion transport and softening in a polymerized ionic liquid

    Science.gov (United States)

    Kumar, Rajeev; Bocharova, Vera; Strelcov, Evgheni; Tselev, Alexander; Kravchenko, Ivan I.; Berdzinski, Stefan; Strehmel, Veronika; Ovchinnikova, Olga S.; Minutolo, Joseph A.; Sangoro, Joshua R.; Agapov, Alexander L.; Sokolov, Alexei P.; Kalinin, Sergei V.; Sumpter, Bobby G.

    2014-12-01

    Polymerized ionic liquids (PolyILs) are promising materials for various solid state electronic applications such as dye-sensitized solar cells, lithium batteries, actuators, field-effect transistors, light emitting electrochemical cells, and electrochromic devices. However, fundamental understanding of interconnection between ionic transport and mechanical properties in PolyILs is far from complete. In this work, local charge transport and structural changes in films of a PolyIL are studied using an integrated experiment-theory based approach. Experimental data for the kinetics of charging and steady state current-voltage relations can be explained by taking into account the dissociation of ions under an applied electric field (known as the Wien effect). Onsager's theory of the Wien effect coupled with the Poisson-Nernst-Planck formalism for the charge transport is found to be in excellent agreement with the experimental results. The agreement between the theory and experiments allows us to predict structural properties of the PolyIL films. We have observed significant softening of the PolyIL films beyond certain threshold voltages and formation of holes under a scanning probe microscopy (SPM) tip, through which an electric field was applied. The observed softening is explained by the theory of depression in glass transition temperature resulting from enhanced dissociation of ions with an increase in applied electric field.Polymerized ionic liquids (PolyILs) are promising materials for various solid state electronic applications such as dye-sensitized solar cells, lithium batteries, actuators, field-effect transistors, light emitting electrochemical cells, and electrochromic devices. However, fundamental understanding of interconnection between ionic transport and mechanical properties in PolyILs is far from complete. In this work, local charge transport and structural changes in films of a PolyIL are studied using an integrated experiment-theory based approach

  8. Supported ionic liquid membranes for removal of dioxins from high-temperature vapor streams.

    Science.gov (United States)

    Kulkarni, Prashant S; Neves, Luisa A; Coelhoso, Isabel M; Afonso, Carlos A M; Crespo, João G

    2012-01-03

    Dioxins and dioxin-like chemicals are predominantly produced by thermal processes such as incineration and combustion at concentrations in the range of 10-100 ng of I-TEQ/kg (I-TEQ = international toxic equivalents). In this work, a new approach for the removal of dioxins from high-temperature vapor streams using facilitated supported ionic liquid membranes (SILMs) is proposed. The use of ceramic membranes containing specific ionic liquids, with extremely low volatility, for dioxin removal from incineration sources is proposed owing to their stability at very high temperatures. Supported liquid membranes were prepared by successfully immobilizing the ionic liquids tri-C(8)-C(10)-alkylmethylammonium dicyanamide ([Aliquat][DCA]) and 1-n-octyl-3-methylimidazolium dicyanamide ([Omim][DCA]) inside the porous structure of ceramic membranes. The porous inorganic membranes tested were made of titanium oxide (TiO(2)), with a nominal pore size of 30 nm, and aluminum oxide (Al(2)O(3)), with a nominal pore size of 100 nm. The ionic liquids were characterized, and the membrane performance was assessed for the removal of dioxins. Different materials (membrane pore size, type of ionic liquid, and dioxin) and different operating conditions (temperature and flow rate) were tested to evaluate the efficiency of SILMs for dioxin removal. All membranes prepared were stable at temperatures up to 200 °C. Experiments with model incineration gas were also carried out, and the results obtained validate the potential of using ceramic membranes with immobilized ionic liquids for the removal of dioxins from high-temperature vapor sources.

  9. Ionic Liquid Microemullsions, Templates for Directing Morphology of Cellulose Biopolymer Nanoparticles (Briefing Charts)

    Science.gov (United States)

    2015-08-19

    Charts 3. DATES COVERED (From - To) July 2015-August 2015 4. TITLE AND SUBTITLE Ionic Liquid Microemullsions, Templates for Directing Morphology of...unlimited AFRL Public Affairs Clearance No. TBD Ionic Liquid Microemullsions, Templates for Directing Morphology of Cellulose Biopolymer...AFRL Public Affairs Clearance No. 15438 Outline • Background on Cellulose and Ionic Liquids • Materials and Methods • Results: Designing an IL

  10. Thermal Decomposition Mechanisms of Alkylimidazolium Ionic Liquids with CN-containing Anions

    Science.gov (United States)

    2014-11-01

    Coulombic attraction between the ions results in glass formation rather than actual melting of the solid. In the successful synthesis of ionic liquids...12.0 eV and averaged over 5 million repeller pulses. Figure 4. a) VUV-PI-TOFMS spectrum of BMIM+dca- aerosol at 380 K and 10.0 eV and b) expanded...the polarizable continuum model was employed here to calculate the ∆Gacid(l) values in an imidazolium ionic liquid and with water as a solvent as

  11. Thermomorphic phase separation in ionic liquid-organic liquid systems--conductivity and spectroscopic characterization.

    Science.gov (United States)

    Riisager, Anders; Fehrmann, Rasmus; Berg, Rolf W; van Hal, Roy; Wasserscheid, Peter

    2005-08-21

    Electrical conductivity, FT-Raman and NMR measurements are demonstrated as useful tools to probe and determine phase behavior of thermomorphic ionic liquid-organic liquid systems. To illustrate the methods, consecutive conductivity measurements of a thermomorphic methoxyethoxyethyl-imidazolium ionic liquid/1-hexanol system are performed in the temperature interval 25-80 degrees C using a specially constructed double-electrode cell. In addition, FT-Raman and 1H-NMR spectroscopic studies performed on the phase-separable system in the same temperature interval confirm the mutual solubility of the components in the system, the liquid-liquid equilibrium phase diagram of the binary mixture, and signify the importance of hydrogen bonding between the ionic liquid and the hydroxyl group of the alcohol.

  12. Electric double layer at the interface of ionic liquid-dielectric liquid under electric field.

    Science.gov (United States)

    Lee, D W; Im, D J; Kang, I S

    2013-02-12

    The structure of the electric double layer (EDL) is analyzed in order to understand the electromechanical behavior of the interface of ionic liquid-dielectric liquid. The modified Poisson-Boltzmann equation proposed by Bazant et al. is solved to see the crowding and the overscreening effects that are the characteristics of an ionic liquid (Bazant, M. Z.; Storey, B. D.; Kornyshev, A. A. Double layer in ionic liquids: Overscreening versus crowding. Phys. Rev. Lett. 2011, 106, 046102.). From the simple one-dimensional (1-D) analysis, it is found that the changes of the composition and the material properties in the EDL are negligible except under some extreme conditions such as strong electric field over O(10(8)) V/m. From the electromechanical view points, an ionic liquid behaves like a pure conductor at the interface with a dielectric liquid. Based on these findings, three specific application problems are considered. In the first, a new method is suggested for measuring the interfacial tension of an ionic liquid-dielectric liquid system. The deformation of a charged ionic liquid droplet translating between two electrodes is used for this measurement. The second is for the Taylor cone problem, which includes an extreme electric field condition near the tip. The size of the critical region, where the EDL effect should be considered, is estimated by using the 1-D analysis result. Numerical computation is also performed to see the profiles of electric potential and the electric stress along the interface of the Taylor cone. Lastly, the electrowetting problem of the ionic liquid is considered. The discrepancies in the results of previous workers are interpreted by using the results of the present work. It is shown that all the results might be consistent if the leaking of the dielectric layer and/or the adsorption of ions is considered.

  13. Ionic liquid based model catalysis: interaction of [BMIM][Tf2N] with Pd nanoparticles supported on an ordered alumina film.

    Science.gov (United States)

    Sobota, Marek; Schmid, Martin; Happel, Markus; Amende, Max; Maier, Florian; Steinrück, Hans-Peter; Paape, Natalia; Wasserscheid, Peter; Laurin, Mathias; Gottfried, J Michael; Libuda, Jörg

    2010-09-21

    Towards a better understanding of novel catalytic materials consisting of supported noble metal catalysts modified by an ionic liquid (IL) film, we have performed a study under ultrahigh-vacuum (UHV) conditions. The model surface consists of Pd nanoparticles grown in UHV on an ordered alumina film on NiAl(110). Thin films of the room temperature IL 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [BMIM][Tf(2)N] are deposited onto this surface by means of physical vapor deposition (PVD). The interaction of the IL with clean and CO-covered Pd/Al(2)O(3)/NiAl(110) at 300 K and the thermal behavior of the deposited IL films on Pd/Al(2)O(3)/NiAl(110) are investigated by time-resolved infrared reflection absorption spectroscopy (TR-IRAS) and X-ray photoelectron spectroscopy (XPS). At 300 K, the IL adsorbs molecularly both onto the Pd particles and onto the alumina. The IR spectra suggest that the [Tf(2)N](-) anions interact with Pd sites preferentially via the sulfonyl groups. CO pre-adsorbed on the Pd particles is partially displaced by the IL, even at 300 K, and only the part of CO adsorbed onto hollow sites on (111) facets of the Pd particles remains in place. Upon heating to temperatures higher than the desorption temperature of the IL (>400 K), molecular desorption of the IL competes with decomposition. The decomposition products, atomic species and small fragments, remain preferentially adsorbed onto the Pd nanoparticles and strongly modify their surface properties. Most of the decomposition products originate from the [BMIM](+) cations, whereas the [Tf(2)N](-) anions desorb for the most part.

  14. Two-dimensional pattern formation in ionic liquids confined between graphene walls.

    Science.gov (United States)

    Montes-Campos, Hadrián; Otero-Mato, José Manuel; Méndez-Morales, Trinidad; Cabeza, Oscar; Gallego, Luis J; Ciach, Alina; Varela, Luis M

    2017-09-20

    We perform molecular dynamics simulations of ionic liquids confined between graphene walls under a large variety of conditions (pure ionic liquids, mixtures with water and alcohols, mixtures with lithium salts and defective graphene walls). Our results show that the formation of striped and hexagonal patterns in the Stern layer can be considered as a general feature of ionic liquids at electrochemical interfaces, the transition between patterns being controlled by the net balance of charge in the innermost layer of adsorbed molecules. This explains previously reported experimental and computational results and, for the first time, why these pattern changes are triggered by any perturbation of the charge density at the innermost layer of the electric double layer (voltage and composition changes, and vacancies at the electrode walls, among others), which may help tuning electrode-ionic liquid interfaces. Using Monte Carlo simulations we show that such structures can be reproduced by a simple two-dimensional lattice model with only nearest-neighbour interactions, governed by highly screened ionic interactions and short-range and excluded volume interactions. We also show that the results of our simulations are consistent with those inferred from the Landau-Brazovskii theory of pattern formation in self-assembling systems. The presence of these patterns at the ionic liquid graphene-electrode interfaces may have a strong impact on the process of ionic transfer from the bulk mixtures to the electrodes, on the differential capacitance of the electrode-electrolyte double layer or on the rates of redox reactions at the electrodes, among other physicochemical properties, and is therefore an effect of great technological interest.

  15. X-ray photoelectron spectroscopy of pyrrolidinium-based ionic liquids: cation-anion interactions and a comparison to imidazolium-based analogues.

    Science.gov (United States)

    Men, Shuang; Lovelock, Kevin R J; Licence, Peter

    2011-09-07

    We investigate seven 1-alkyl-1-methylpyrrolidinium-based ionic liquids, [C(n)C(1)Pyrr][X], using X-ray photoelectron spectroscopy (XPS). The electronic environment for each element is analysed and a robust fitting model is developed for the C 1s region that applies to each of the ionic liquids studied. This model allows accurate charge correction and the determination of reliable and reproducible binding energies for each ionic liquid studied. The electronic interaction between the cation and anion is investigated for ionic liquids with one and also two anions. i.e., mixtures. Comparisons are made to imidazolium-based ionic liquids; in particular, a detailed comparison is made between [C(8)C(1)Pyrr][X] and [C(8)C(1)Im][X](-), where X(¬) is common to both ionic liquids.

  16. Effects of phosphonium-based ionic liquids on phospholipid membranes studied by small-angle X-ray scattering.

    Science.gov (United States)

    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.

  17. Ionic liquid based dispersive liquid-liquid microextraction of aromatic amines in water samples

    Institute of Scientific and Technical Information of China (English)

    Yun Chang Fan; Zheng Liang Hu; Mei Lan Chen; Chao Shen Tu; Yan Zhu

    2008-01-01

    In this work, a new microextraction method termed ionic liquid based dispersive liquid-liquid microextraction (IL-DLLME) was demonstrated for the extraction of 2-methylaniline, 4-chloroaniline, 1-naphthylamine and 4-aminobiphenyl in aqueous matrices. After extraction the ionic liquid (IL) phase was injected directly into the high performance liquid chromatography (HPLC) system for determination. Some parameters that might affect the extraction efficiency were optimized. Under the optimum conditions, good linear relationship, sensitivity and reproducibility were obtained. The limits of detection (LOD, S/N = 3) for the four analytes were in the range of 0.45-2.6 μg L-1. The relative standard deviations (R.S.D., n = 6) were in the range of 6.2-9.8%. This method was applied for the analysis of the real water samples. The recoveries ranged from 93.4 to 106.4%. The main advantages of the method are high speed, high recovery, good repeatability and volatile organic solvent-free.

  18. Measurement and Correlation of the Ionic Conductivity of Ionic Liquid-Molecular Solvent Solutions

    Institute of Scientific and Technical Information of China (English)

    LI,Wen-Jing; HAN,Bu-Xing; TAO,Ran-Ting; ZHANG,Zhao-Fu; ZHANG,Jian-Ling

    2007-01-01

    The ionic conductivity of the solutions formed from 1-n-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) or 1-n-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) and different molecular solvents (MSs) were measured at 298.15 K. The molar conductivity of the ionic liquids (ILs) increased dramatically with increasing concentration of the MSs. It was found that the molar conductivity of the IL in the solutions studied in this work could be well correlated by the molar conductivity of the neat ILs and the dielectric constant and molar volume of the MSs.

  19. Limiting activity coefficients and gas-liquid partition coefficients of various solutes in piperidinium ionic liquids: measurements and LSER calculations.

    Science.gov (United States)

    Paduszyński, Kamil; Domańska, Urszula

    2011-06-30

    This paper is a continuation of our systematic investigations on piperidinium ionic liquids and presents new data on activity coefficients at infinite dilution for 43 solutes: linear and branched alkanes, cycloalkanes, alkenes, alkynes, benzene, alkylbenzenes, alcohols, water, thiophene, tetrahyrdofuran (THF), methyl tert-butyl ether (MTBE), linear ethers, acetone, and linear ketones in the ionic liquid 1-butyl-1-methyl-piperidinium bis(trifluoromethylsulfonyl)imide, [BMPIP][NTf2]. The data were determined by gas-liquid chromatography (GLC) at temperatures from 308.15 to 358.15 K. These values were compared to those previously published for the bis-(trifluoromethylsulfonyl)imide-based ionic liquids. The partial molar excess enthalpies ΔH1(E,∞) and entropies ΔS1(E,∞) at infinite dilution were calculated from the experimental γ13(∞) values obtained over the temperature range. The values of the selectivities for different separation problems were calculated from γ13(∞) and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, and additional ionic liquids. Experimental limiting activity coefficients were used to calculate gas-IL partition coefficients of solutes, K(L). The modeling with specific linear solvation energy relationship (LSER) equations was performed for data obtained in this work and those reported earlier for 1-butyl-1-methylpiperidinium thiocyanate, [BMPIP][SCN].

  20. Pretreatment of rice hulls by ionic liquid dissolution.

    Science.gov (United States)

    Lynam, Joan G; Reza, M Toufiq; Vasquez, Victor R; Coronella, Charles J

    2012-06-01

    As a highly available waste product, rice hulls could be a starting block in replacing liquid fossil fuels. However, their silica covering can make further use difficult. This preliminary study investigates effects of dissolving rice hulls in the ionic liquids 1-ethyl-3-methylimidazolium acetate (EMIM Ac), 1-hexyl-3-methylimidazolium chloride, (HMIM Cl), and 1-allyl-3-methylimidazolium chloride (AMIM Cl), and what lignocellulosic components can be precipitated from the used ionic liquid with water and ethanol. EMIM Ac dissolution at 110 °C for 8 h was found to completely remove lignin from rice hulls, while ethanol was capable of precipitating lignin out of the used EMIM Ac. With 8h dissolution at 110 °C using HMIM Cl, approximately 20% of the cellulose in the rice hull sample can be precipitated out using water as co-solvent, while more than 60% of the hemicellulose can be precipitated with ethanol.

  1. Acrylate Functionalized Tetraalkylammonium Salts with Ionic Liquid Properties

    Directory of Open Access Journals (Sweden)

    Silvia Janietz

    2012-05-01

    Full Text Available Acrylate functionalized ionic liquids based on tetraalkylammonium salts with terminal acrylates- and methylacrylates were synthesized. Melting points and ionic conductivity of twenty compounds in six groups were determined. Within one group the effect of three different counterions was investigated and discussed. The groups differ in cationic structure elements because of their functional groups such as acrylate and methacrylate, alkyl residues at the nitrogen and number of quaternary ammonium atoms within the organic cation. The effect of these cationic structure elements has been examined concerning the compiled parameters with a view to qualifying them as components for solid state electrolytes. The newly synthesized ionic liquids were characterized by NMR and FTIR analysis. The exchange of halide ions like bromide as counter ions to weakly coordinating [PF6], [OTf] or [TFSI] reduces the melting points significantly and leads to an ion conductivity of about 10−4 S/cm at room temperature. In the case of the dicationic ionic liquid, an ion conductivity of about 10−3 S/cm was observed.

  2. Efficiency and mechanism of demulsification of oil-in-water emulsions using ionic liquid

    NARCIS (Netherlands)

    Li, X.; Kersten, S.R.A.; Schuur, B.

    2016-01-01

    In this work, 13 ionic liquids (ILs), including 9 halogenide ILs and 4 non-halogenide ILs, were evaluated as demulsifiers for a model oil-in-water emulsion prepared with heptane and water, where sodium dodecylbenzenesulfonate (SDBS) was used as a surfactant. The separating efficiency (the fraction o

  3. Efficiency and mechanism of demulsification of oil-in-water emulsions using ionic liquid

    NARCIS (Netherlands)

    Li, X.; Kersten, Sascha R.A.; Schuur, Boelo

    2016-01-01

    In this work, 13 ionic liquids (ILs), including 9 halogenide ILs and 4 non-halogenide ILs, were evaluated as demulsifiers for a model oil-in-water emulsion prepared with heptane and water, where sodium dodecylbenzenesulfonate (SDBS) was used as a surfactant. The separating efficiency (the fraction o

  4. SPECTROSCOPIC STUDIES OF STRUCTURE, DYNAMICS AND REACTIVITY IN IONIC LIQUIDS.

    Energy Technology Data Exchange (ETDEWEB)

    WISHART,J.F.

    2007-11-30

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs are generally nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of chemical reactions and product distributions. Successful use of ionic liquids in radiation-filled environments, where their safety advantages could be significant, requires an understanding of ionic liquid radiation chemistry. For example, characterizing the primary steps of IL radiolysis will reveal radiolytic degradation pathways and suggest ways to prevent them or mitigate their effects on the properties of the material. An understanding of ionic liquid radiation chemistry will also facilitate pulse radiolysis studies of general chemical reactivity in ILs, which will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increases the importance of pre-solvated electron reactivity and consequently alters product distributions. Parallel studies of IL solvation phenomena using coumarin-153 dynamic Stokes shifts and polarization anisotropy decay rates are done to compare with electron solvation studies and to evaluate

  5. Reduction of Metal Oxide to Metal using Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    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

  6. Determination of pyrethroid pesticides in tomato using ionic liquid-based dispersive liquid-liquid microextraction.

    Science.gov (United States)

    Han, Dandan; Tang, Baokun; Row, Kyung Ho

    2014-03-01

    A sensitive determination method was developed for the analysis of pyrethroid pesticide residues in tomato samples using ionic liquid-based dispersive liquid-liquid microextraction. A hydrophobic ionic liquid (1-butyl-3-methylimidazolium hexafluorophosphate) and acetonitrile were used as the extraction solvent and dispersive solvent, respectively. The following experimental parameters affecting the extraction efficiency were examined: types of extraction solvent and volume of extraction solvent, types of dispersive solvent and volume of dispersive solvent and pH and ion strength of the sample solution. Under the optimum conditions, the extraction recoveries ranged from 83.9 to 96.7%. Moreover, the enrichment factors for esbiothrin, fenpropathrin and cyhalothrin were 42, 48 and 45, respectively. The calibration curves were linear with correlation coefficients ranging from 0.9997 to 0.9999 at concentrations of 0.05-1.5 µg/kg. The relative standard deviation (n = 5) was 1.7-4.5%. The limits of detection for esbiothrin, fenpropathrin and cyhalothrin were 8.1, 9.9 and 14.3 µg/kg, respectively.

  7. Lithium ion conductive behavior of TiO2 nanotube/ionic liquid matrices

    OpenAIRE

    2014-01-01

    A series of TiO_2 nanotube (TNT)/ionic liquid matrices were prepared, and their lithium ion conductive properties were studied. SEM images implied that ionic liquid was dispersed on the whole surface of TNT. Addition of TNT to ionic liquid (1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide (BMImTFSA)) resulted in significant increase of ionic conductivity. Furthermore, lithium transference number was also largely enhanced due to the interaction of anion with TNT. Vogel-Fulcher-Tam...

  8. Ionic Liquid-Doped Gel Polymer Electrolyte for Flexible Lithium-Ion Polymer Batteries

    Science.gov (United States)

    Zhang, Ruisi; Chen, Yuanfen; Montazami, Reza

    2015-01-01

    Application of gel polymer electrolytes (GPE) in lithium-ion polymer batteries can address many shortcomings associated with liquid electrolyte lithium-ion batteries. Due to their physical structure, GPEs exhibit lower ion conductivity compared to their liquid counterparts. In this work, we have investigated and report improved ion conductivity in GPEs doped with ionic liquid. Samples containing ionic liquid at a variety of volume percentages (vol %) were characterized for their electrochemical and ionic properties. It is concluded that excess ionic liquid can damage internal structure of the batteries and result in unwanted electrochemical reactions; however, samples containing 40–50 vol % ionic liquid exhibit superior ionic properties and lower internal resistance compared to those containing less or more ionic liquids.

  9. Thermoreversible (Ionic-Liquid-Based) Aqueous Biphasic Systems.

    Science.gov (United States)

    Passos, Helena; Luís, Andreia; Coutinho, João A P; Freire, Mara G

    2016-02-04

    The ability to induce reversible phase transitions between homogeneous solutions and biphasic liquid-liquid systems, at pre-defined and suitable operating temperatures, is of crucial relevance in the design of separation processes. Ionic-liquid-based aqueous biphasic systems (IL-based ABS) have demonstrated superior performance as alternative extraction platforms, and their thermoreversible behaviour is here disclosed by the use of protic ILs. The applicability of the temperature-induced phase switching is further demonstrated with the complete extraction of two value-added proteins, achieved in a single-step. It is shown that these temperature-induced mono(bi)phasic systems are significantly more versatile than classical liquid-liquid systems which are constrained by their critical temperatures. IL-based ABS allow to work in a wide range of temperatures and compositions which can be tailored to fit the requirements of a given separation process.

  10. Structure and ionic conductivity of ionic liquid embedded PEO- LiCF3SO3 polymer electrolyte

    Directory of Open Access Journals (Sweden)

    A. Karmakar

    2014-08-01

    Full Text Available In this paper we have reported electrical and other physical properties of polyethylene oxide (PEO - LiCF3SO3 polymer electrolytes embedded with 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid. The addition of the ionic liquid to PEO- LiCF3SO3 electrolyte increases the amorphous phase content considerably and decreases the glass transition temperature. The relative amounts of different ionic species present in these electrolytes have been determined. It is observed that the fraction of free anions increase with the increase of ionic liquid concentration, whereas the fraction for ion pairs and aggregates show a decreasing trend under the same condition. The ionic conductivity of the PEO- LiCF3SO3 polymer electrolyte embedded with ionic liquid is higher than that of the PEO- LiCF3SO3 electrolyte. The ionic conductivity shows a transition around 323 K. The ionic conductivity above 323 K exhibits Arrhenius behavior with an activation energy, which decreases with the increase of ionic liquid concentration. However, below 323 K the conductivity shows Vogel–Tamman–Fulcher (VTF type behavior.

  11. X‐ray Photoelectron Spectroscopy of Pyridinium‐Based Ionic Liquids: Comparison to Imidazolium‐ and Pyrrolidinium‐Based Analogues

    Science.gov (United States)

    Mitchell, Daniel S.; Lovelock, Kevin R. J.

    2015-01-01

    Abstract We investigate eight 1‐alkylpyridinium‐based ionic liquids of the form [CnPy][A] by using X‐ray photoelectron spectroscopy (XPS). The electronic environment of each element of the ionic liquids is analyzed. In particular, a reliable fitting model is developed for the C 1s region that applies to each of the ionic liquids. This model allows the accurate charge correction of binding energies and the determination of reliable and reproducible binding energies for each ionic liquid. Shake‐up/off phenomena are determinedfor both C 1s and N 1s spectra. The electronic interaction between cations and anions is investigated for both simple ionic liquids and an example of an ionic‐liquid mixture; the effect of the anion on the electronic environment of the cation is also explored. Throughout the study, a detailed comparison is made between [C8Py][A] and analogues including 1‐octyl‐1‐methylpyrrolidinium‐ ([C8C1Pyrr][A]), and 1‐octyl‐3‐methylimidazolium‐ ([C8C1Im][A]) based samples, where X is common to all ionic liquids. PMID:25952131

  12. Investigation of polymer electrolyte based on agar and ionic liquids

    Directory of Open Access Journals (Sweden)

    M. M. Silva

    2012-12-01

    Full Text Available The possibility to use natural polymer as ionic conducting matrix was investigated in this study. Samples of agarbased electrolytes with different ionic liquids were prepared and characterized by physical and chemical analyses. The ionic liquids used in this work were 1-ethyl-3-methylimidazolium ethylsulfate, [C2mim][C2SO4], 1-ethyl-3-methylimidazolium acetate, [C2mim][OAc] and trimethyl-ethanolammonium acetate, [Ch][OAc]. Samples of solvent-free electrolytes were prepared and characterized by ionic conductivity measurements, thermal analysis, electrochemical stability, X-ray diffraction, scanning electron microscopy and Fourier Transform infrared spectroscopy. Electrolyte samples are thermally stable up to approximately 190°C. All the materials synthesized are semicrystalline. The electrochemical stability domain of all samples is about 2.0 V versus Li/Li+. The preliminary studies carried out with electrochromic devices (ECDs incorporating optimized compositions have confirmed that these materials may perform as satisfactory multifunctional component layers in the field of ‘smart windows’, as well as ECD-based devices.

  13. Thermomorphic phase separation in ionic liquid-organic liquid systems - conductivity and spectroscopic characterization

    DEFF Research Database (Denmark)

    Riisager, Anders; Fehrmann, Rasmus; Berg, Rolf W.

    2005-01-01

    Electrical conductivity, FT-Raman and NMR measurements are demonstrated as useful tools to probe and determine phase behavior of thermomorphic ionic liquid-organic liquid systems. To illustrate the methods, consecutive conductivity measurements of a thermomorphic methoxyethoxyethyl-imidazolium io...... of the components in the system, the liquid-liquid equilibrium phase diagram of the binary mixture, and signify the importance of hydrogen bonding between the ionic liquid and the hydroxyl group of the alcohol.......Electrical conductivity, FT-Raman and NMR measurements are demonstrated as useful tools to probe and determine phase behavior of thermomorphic ionic liquid-organic liquid systems. To illustrate the methods, consecutive conductivity measurements of a thermomorphic methoxyethoxyethyl......-imidazolium ionic liquid/1-hexanol system are performed in the temperature interval 25-80 degrees C using a specially constructed double-electrode cell. In addition, FT-Raman and H-1-NMR spectroscopic studies performed on the phase-separable system in the same temperature interval confirm the mutual solubility...

  14. The Applications of Ionic Liquids into Space Lubricants

    Science.gov (United States)

    Okaniwa, Takashi; Hayama, Makoto

    2013-09-01

    Perfluoropolyether (PFPE) and Multiplyalkylated cyclopentane (MAC) are currently the most widely used space lubricating oils. Although PFPE can be used over wide temperature ranges, it has some issues such as the poor solubility of additives making it difficult to improve rust preventive property or friction wear characteristics and unfavourable decomposition behaviour in boundary lubrication [1, 2]. Thus PFPE is being replaced by MAC. On the other hand, MAC withstands operating temperatures of -20oC but has difficulty functioning at -40oC due to an increase in kinematic viscosity. Another issue is that some additives are effective in improving load capacity of MAC but can adversely affect the vacuum property under high vacuum.In this study, ionic liquids were investigated as a possible base oil of next-generation space grease to solve these issues. Table 1 summarizes key properties of typical ionic liquids and currently-used space lubricants.

  15. Ionic liquids for separation of olefin-paraffin mixtures

    Science.gov (United States)

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2013-09-17

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  16. Acceleration effect of ionic liquids on polycyclotrimerization of dicyanate esters

    Directory of Open Access Journals (Sweden)

    A. Fainleib

    2016-09-01

    Full Text Available The polycyclotrimerization reaction of dicyanate ester of bisphenol E (DCBE in the presence of varying amounts (from 0.5 to 5 wt% of 1-octyl-3-methylimidazolium tetrafluoroborate ([OMIm][BF4] ionic liquid has been investigated using differential scanning calorimetry (DSC and Fourier transform infrared spectroscopy (FTIR techniques, after a curing stage at 150 °C for 6 h. It is noteworthy that an amount of [OMIm][BF4] as low as 0.5 wt% accelerates dramatically the thermal curing process leading to the formation of a polycyanurate network. The conversion of DCBE increased with increasing [OMIm][BF4] content in the temperature range studied. A reaction mechanism associated with the ionic liquid-catalyzed DCBE polycyclotrimerization is newly proposed via the involvement of a [CN]δ+–[OMIm]δ– complex as a key intermediate.

  17. Syntheses of CuO nanostructures in ionic liquids

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A simple and efficient approach is developed to fabricate single-crystalline CuO nanostructures through an ionic liquid assisted one-step low-temperature solid-state route.Both nanoparticles(5 nm in size)and nanorods(5-10 nm in diameter and 50-100 nm in length)of monoclinic CuO were obtained. These synthesized CuO nanostructures were characterized by X-ray diffraction(XRD),transmission electron microscopy(TEM),selected area electron diffraction(SAED),X-ray photoelectron spectros- copy(XPS),energy dispersive spectroscopy(EDS)and nitrogen adsorption analysis.The morpholo- gies of the nanostructures can be controlled by tuning the amount of NaOH and ionic liquids.The growth mechanism of CuO nanostructures is investigated.

  18. Syntheses of CuO nanostructures in ionic liquids

    Institute of Scientific and Technical Information of China (English)

    WANG Li; ZHAO Bin; YUAN ZhongYong; ZHANG XueJun; Wu QingDuan; CHANG LiXian; ZHENG WenJun

    2007-01-01

    A simple and efficient approach is developed to fabricate single-crystalline CuO nanostructures through an ionic liquid assisted one-step low-temperature solid-state route. Both nanoparticles (5 nm in size) and nanorods (5-10 nm in diameter and 50-100 nm in length) of monoclinic CuO were obtained. These synthesized CuO nanostructures were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), X-ray photoelectron spectroscopy (XPS), energy dispersive spectroscopy (EDS) and nitrogen adsorption analysis. The morphologies of the nanostructures can be controlled by tuning the amount of NaOH and ionic liquids. The growth mechanism of CuO nanostructures is investigated.

  19. Chemoselective allylation of ketones in ionic liquids containing sulfonate anions.

    Science.gov (United States)

    Galletti, Paola; Moretti, Fabio; Samorì, Chiara; Tagliavini, Emilio

    2009-01-01

    The chemoselective addition of tetraallyltin to dialkyl, alkenyl-alkyl, and alkynyl-alkyl ketones can be performed with high yields in N-methyl-N-butylpyrrolidinium trifuoromethansulfonate (MBP-Tf). Other room temperature ionic liquids (RTILs) can also be successfully employed if some sulfonic acid is added. The reaction is very sensitive to the electronic properties of the substrate. Aryl alkyl ketones bearing electron-withdrawing substituents behave like dialkyl ketones and react promptly; on the contrary, electron-rich aryl alkyl ketones react sluggishly, which allows selective competitive allylation of dialkyl substrates to occur. The ionic liquid solvent can be easily recycled, which meets the green chemistry principles of selectivity and reuse of chemicals. NMR spectroscopic data support the formation of tin-triflate catalysts in situ.

  20. IONIC LIQUIDS: RADIATION CHEMISTRY, SOLVATION DYNAMICS AND REACTIVITY PATTERNS.

    Energy Technology Data Exchange (ETDEWEB)

    WISHART,J.F.

    2007-10-01

    energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs are generally nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of chemical reactions and product distributions. Successful use of ionic liquids in radiation-filled environments, where their safety advantages could be significant, requires an understanding of ionic liquid radiation chemistry. For example, characterizing the primary steps of IL radiolysis will reveal radiolytic degradation pathways and suggest ways to prevent them or mitigate their effects on the properties of the material. An understanding of ionic liquid radiation chemistry will also facilitate pulse radiolysis studies of general chemical reactivity in ILs, which will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increases the importance of pre-solvated electron reactivity and consequently alters product distributions. Parallel studies of IL solvation phenomena using coumarin-153 dynamic Stokes shifts and polarization anisotropy decay rates are done to compare with electron solvation studies and to evaluate the influence of ILs on charge transport processes. Methods. Picosecond pulse radiolysis studies at BNL

  1. Synthesis and Characterization of Tetramethylethylenediamine-Based Hypergolic Ionic Liquids

    Science.gov (United States)

    Fei, Teng; Cai, Huiwu; Zhang, Yanqiang; Liu, Long; Zhang, Suojiang

    2016-04-01

    Four energetic salts (including two ionic liquids) based on 2-(dimethylamino)-N,N,N-trimethylethanaminium and N,N‧-dialkyl-N,N,N‧,N‧-tetramethylethane-1,2-diaminium was prepared and characterized by 1H- and 13C-NMR, infrared and Raman spectroscopies, and elemental analysis. Their physicochemical properties such as melting and decomposition temperatures, density, viscosity, heat of formation, detonation performance, and specific impulse were measured or calculated. With thermal stability up to 200°C, the resulting ionic liquids show densities from 1.02 to 1.19 g cm-3 and heats of formation from 85.1 to 154.4 kJ mol-1. Moreover, 2-(dimethylamino)-N,N,N-trimethylethanaminium dicyanamide is hypergolic with the oxidizer (100% HNO3) and exhibits potential as a green fuel for bipropellants.

  2. Ionic liquids for separation of olefin-paraffin mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2014-07-15

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  3. Protic pharmaceutical ionic liquids and solids: aspects of protonics.

    Science.gov (United States)

    Stoimenovski, Jelena; Dean, Pamela M; Izgorodina, Ekaterina I; MacFarlane, Douglas R

    2012-01-01

    A series of new protic compounds based on active pharmaceutical ingredients have been synthesised and characterised. Some of the salts synthesised produced ionic liquids, while others that were associated with rigid molecular structures tended to produce high melting points. The "protonic" behaviour of these compounds was found to be a major determinant of their properties. Indicator studies, FTIR-ATR and transport properties (Walden plot) were used to probe the extent of proton transfer and ion association in these ionic liquids. While proton transfer was shown to have taken place in all cases, the Walden plot indicated strong ion association in the primary amine based examples due to hydrogen bonding. This was further explored via crystal structures of related compounds, which showed that extended hydrogen bonded clusters tend to form in these salts. These clusters may dictate membrane transport properties of these compounds in vivo.

  4. Biocomposites obtained from wood saw dust using ionic liquids

    Directory of Open Access Journals (Sweden)

    Croitoru Catalin

    2014-12-01

    Full Text Available The paper presents a new method of wood composites obtaining, as a potential alternative to traditional non-ecological processes involving the use of phenol-based resins. The novelty of the method consists in using only two components, namely wood and an alkylimidazolium chloride ionic liquid. A fraction of wood sawdust dissolves in the ionic liquid, and by water addition it precipitates, acting as a natural binder for the remaining wood particles. FTIR and XRD spectroscopy analysis confirmed the presence of the dominating amorphous cellulose II anomer in the structure of the wood composites. By comparing to the reference, the obtained composites present lower wettability and higher resistance to compression

  5. Hydrolysis of polycarbonate catalyzed by ionic liquid [Bmim][Ac].

    Science.gov (United States)

    Song, Xiuyan; Liu, Fusheng; Li, Lei; Yang, Xuequn; Yu, Shitao; Ge, Xiaoping

    2013-01-15

    Hydrolysis of polycarbonate (PC) was studied using ionic liquid 1-butyl-3-methylimidazolium acetate ([Bmim][Ac]) as a catalyst. The influences of temperature, time, water dosage and [Bmim][Ac] dosage on the hydrolysis reaction were examined. Under the conditions of temperature 140°C, reaction time 3.0 h, m([Bmim][Ac]):m(PC)=1.5:1 and m(H(2)O):m(PC)=0.35:1, the conversion of PC was nearly 100% and the yield of bisphenol A (BPA) was over 96%. The ionic liquid could be reused up to 6 times without apparent decrease in the conversion of PC and yield of BPA. The kinetics of the reaction was also investigated. The results showed that the hydrolysis of PC in [Bmim][Ac] was a first-order kinetic reaction with an activation energy of 228 kJ/mol.

  6. Methanolysis of polycarbonate catalysed by ionic liquid [Bmim][Ac].

    Science.gov (United States)

    Liu, Fusheng; Li, Lei; Yu, Shitao; Lv, Zhiguo; Ge, Xiaoping

    2011-05-15

    The methanolysis of polycarbonate (PC) was studied using ionic liquid [Bmim][Ac] as a catalyst. The effects of temperature, time, methanol dosage and [Bmim][Ac] dosage on the methanolysis reaction were examined. It was shown that the conversion of PC was nearly 100%, and the yield of bisphenol A (BPA) was over 95% under the following conditions: m([Bmim][Ac]):m(PC) = 0.75:1;m(methanol):m(PC) = 0.75:1; a reaction temperature of 90 °C and a total time of 2.5h. The ionic liquid could be reused up to 6 times with no apparent decrease in the conversion of PC and yield of BPA. The kinetics of the reaction was also investigated. The results indicated that the methanolysis of PC in [Bmim][Ac] was a first-order kinetic reaction with an activation energy of 167 kJ/mol.

  7. Functionalization of glassy carbon with diazonium salts in ionic liquids.

    Science.gov (United States)

    Actis, Paolo; Caulliez, Guilain; Shul, Galyna; Opallo, Marcin; Mermoux, Michel; Marcus, Bernadette; Boukherroub, Rabah; Szunerits, Sabine

    2008-06-17

    The paper reports on the chemical functionalization of glassy carbon electrodes with 4-bromobenzene (4-BBDT) and 4-(4'-nitrophenylazo)benzene diazonium tetrafluoroborate (4-NAB) salts in ionic liquids. The reaction was carried out at room temperature in air without any external electrical bias in either hydrophobic (1-butyl-3-methylimidazolium hexafluorophosphate) or hydrophilic (1-butyl-3-methylimidazolium methyl sulfate) ionic liquids. The resulting surfaces were characterized using X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and electrochemical measurements. Electrochemical reduction of the terminal nitro groups allowed the determination of surface coverage and formation of an amine-terminated carbon surfaces. The results were compared to glassy carbon chemically modified in an aqueous solution in the presence of 1% sodium dodecyl sulfate (SDS) with the same diazonium salt. Furthermore, Raman spectroscopy coupled with electrochemical measurements allowed to distinguish between the reduction of -NO2 to -NH2 group and the -N=N- to -NH-NH- bond.

  8. Fabrication of Polyacrylonitrile Hollow Fiber Membranes from Ionic Liquid Solutions

    KAUST Repository

    Kim, Dooli

    2015-10-08

    The interest in green processes and products has increased to reduce the negative impact of many industrial processes to the environment. Solvents, which play a crucial role in the fabrication of membranes, need to be replaced by sustainable and less toxic solvent alternatives for commonly used polymers. The purpose of this study is the fabrication of greener hollow fiber membranes based on polyacrylonitrile (PAN), substituting dimethylformamide (DMF) by less toxic mixtures of ionic liquids (IL) and dimethylsulfoxide (DMSO). A thermodynamic analysis was conducted, estimating the Gibbs free energy of mixing to find the most convenient solution compositions. Hollow fiber membranes were manufactured and optimized. As a result, a uniform pattern and high porosity were observed in the inner surface of the membranes prepared from the ionic liquid solutions. The membranes were coated with a polyamide layer by interfacial polymerization the hollow fiber membranes were applied in forward osmosis experiments by using sucrose solutions as draw solution.

  9. Carbon films produced from ionic liquid carbon precursors

    Science.gov (United States)

    Dai, Sheng; Luo, Huimin; Lee, Je Seung

    2013-11-05

    The invention is directed to a method for producing a film of porous carbon, the method comprising carbonizing a film of an ionic liquid, wherein the ionic liquid has the general formula (X.sup.+a).sub.x(Y.sup.-b).sub.y, wherein the variables a and b are, independently, non-zero integers, and the subscript variables x and y are, independently, non-zero integers, such that ax=by, and at least one of X.sup.+ and Y.sup.- possesses at least one carbon-nitrogen unsaturated bond. The invention is also directed to a composition comprising a porous carbon film possessing a nitrogen content of at least 10 atom %.

  10. Synthesis and characterization of new ionic liquids; Sintese e caracterizacao de novos liquidos ionicos

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, L.M.C. de; Mattedi, S.; Boaventura, J.S., E-mail: luanaufrn@hotmail.co [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Escola Politecnica. Programa de Pos-Graduacao em Engenharia Quimica; Iglesias, M. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Escola Politecnica. Programa de Pos-Graduacao em Engenharia Quimica; Universidad de Santiago de Compostela (Spain). Escuela Tecnica Superior de Ingenieria. Dept. de Ingenieria Quimica

    2010-07-01

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

  11. Thermodynamical and structural properties of imidazolium based ionic liquids from molecular simulation

    Science.gov (United States)

    Raabe, Gabriele; Köhler, Jürgen

    2008-04-01

    We have performed molecular dynamics simulations to determine the densities and heat of vaporization as well as structural information for the 1-alkyl-3-methyl-imidazolium based ionic liquids [amim][Cl] and [amim][BF4] in the temperature range from 298to363K. In this simulation study, we used an united atom model of Liu et al. [Phys. Chem. Chem. Phys. 8, 1096 (2006)] for the [emim+] and [bmim+] cations, which we have extended for simulation in [hmim]-ILs and combined with parameters of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] for the [Cl-] anion. Our simulation results prove that both the original united atoms approach by Liu et al. and our extension yield reasonable predictions for the ionic liquid with a considerably reduced computational expense than that required for all atoms models. Radial distribution functions and spatial distribution functions where employed to analyze the local structure of this ionic liquid, and in which way it is influenced by the type of the anion, the size of the cation, and the temperature. Our simulations give evidence for the occurrence of tail aggregations in these ionic liquids with increasing length of the side chain and also increasing temperature.

  12. A Comparison of Electron-Transfer Dynamics inIonic Liquids and Neutral Solvents

    Energy Technology Data Exchange (ETDEWEB)

    Wishart J. F.; Lee, H.Y.; Issa, J.B.; Isied, S.S.; Castner, Jr., E.W.; Pan, Y.; Hussey, C.L.; Lee, K.S.

    2012-03-01

    The effect of ionic liquids on photoinduced electron-transfer reactions in a donor-bridge-acceptor system is examined for two ionic liquid solvents, 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide and tributylmethylammonium bis(trifluoromethylsulfonyl)amide. The results are compared with those for the same system in methanol and acetonitrile solution. Electron-transfer rates were measured using time-resolved fluorescence quenching for the donor-bridge-acceptor system comprising a 1-N,1-N-dimethylbenzene-1,4-diamine donor, a proline bridge, and a coumarin 343 acceptor. The photoinduced electron-transfer processes are in the inverted regime (-{Delta}G > {lambda}) in all four solvents, with driving forces of -1.6 to -1.9 eV and estimated reorganization energies of about 1.0 eV. The observed electron-transfer kinetics have broadly distributed rates that are generally slower in the ionic liquids compared to the neutral solvents, which also have narrower rate distributions. To describe the broad distributions of electron-transfer kinetics, we use two different models: a distribution of exponential lifetimes and a discrete sum of exponential lifetimes. Analysis of the donor-acceptor electronic coupling shows that for ionic liquids this intramolecular electron-transfer reaction should be treated using a solvent-controlled electron-transfer model.

  13. The Interactions between Imidazolium-Based Ionic Liquids and Stable Nitroxide Radical Species: A Theoretical Study.

    Science.gov (United States)

    Zhang, Shaoze; Wang, Guimin; Lu, Yunxiang; Zhu, Weiliang; Peng, Changjun; Liu, Honglai

    2016-08-01

    In this work, the interactions between imidazolium-based ionic liquids and some stable radicals based on 2,2,6,6-tetramethylpiperidine-1-yloxyl (TEMPO) have been systematically investigated using density functional theory calculations at the level of M06-2x. Several different substitutions, such as hydrogen bonding formation substituent (OH) and ionic substituents (N(CH3)3(+) and OSO3(-)), are presented at the 4-position of the spin probe, which leads to additional hydrogen bonds or ionic interactions between these substitutions and ionic liquids. The interactions in the systems of the radicals containing ionic substitutions with ionic liquids are predicted much stronger than those in the systems of neutral radicals, resulting in a significant reduction of the mobility of ionic radicals in ionic liquids. To further understand the nature of these interactions, the natural bond order, atoms in molecules, noncovalent interaction index, electron density difference, energy decomposition analysis, and charge decomposition analysis schemes were employed. The additional ionic interactions between ionic radicals and counterions in ionic liquids are dominantly contributed from the electrostatic term, while the orbital interaction plays a major role in other interactions. The results reported herein are important to understand radical processes in ionic liquids and will be very useful in the design of task-specific ionic liquids to make the processes more efficient.

  14. Proactive aquatic ecotoxicological assessment of room-temperature ionic liquids

    Science.gov (United States)

    Kulacki, K.J.; Chaloner, D.T.; Larson, J.H.; Costello, D.M.; Evans-White, M. A.; Docherty, K.M.; Bernot, R.J.; Brueseke, M.A.; Kulpa, C.F.; Lamberti, G.A.

    2011-01-01

    Aquatic environments are being contaminated with a myriad of anthropogenic chemicals, a problem likely to continue due to both unintentional and intentional releases. To protect valuable natural resources, novel chemicals should be shown to be environmentally safe prior to use and potential release into the environment. Such proactive assessment is currently being applied to room-temperature ionic liquids (ILs). Because most ILs are water-soluble, their effects are likely to manifest in aquatic ecosystems. Information on the impacts of ILs on numerous aquatic organisms, focused primarily on acute LC50 and EC50 endpoints, is now available, and trends in toxicity are emerging. Cation structure tends to influence IL toxicity more so than anion structure, and within a cation class, the length of alkyl chain substituents is positively correlated with toxicity. While the effects of ILs on several aquatic organisms have been studied, the challenge for aquatic toxicology is now to predict the effects of ILs in complex natural environments that often include diverse mixtures of organisms, abiotic conditions, and additional stressors. To make robust predictions about ILs will require coupling of ecologically realistic laboratory and field experiments with standard toxicity bioassays and models. Such assessments would likely discourage the development of especially toxic ILs while shifting focus to those that are more environmentally benign. Understanding the broader ecological effects of emerging chemicals, incorporating that information into predictive models, and conveying the conclusions to those who develop, regulate, and use those chemicals, should help avoid future environmental degradation. ?? 2011 Bentham Science Publishers Ltd.

  15. Direct Synthesis of Nitriles from Aldehydes in Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jun-li; CHEN Xiao-rong; YU Yan-peng; XU Kun-ling; HUANG Jun

    2011-01-01

    1 IntroductionIonic liquids(ILs) are environmentally acceptable solvents because they have low vapor pressure,high thermal stability and chemical stability,excellent solvent for organic and inorganic compounds.Therefore,they can be used as green solvents for a number of chemical processes,such as separations and reactions[1,2].ILs are also used as catalysts in chemical reactions to accelerate reaction rate and improve selectivity[3,4].

  16. Self-indicating, simultaneous multianalyte recognition using an ionic liquid

    OpenAIRE

    Kavanagh, Andrew; Byrne, Robert; Diamond, Dermot; Radu, Aleksandar

    2009-01-01

    Ionic Liquids (ILs) are the subject of increased diverse research worldwide due to many attractive inherent characteristics such as high thermal stability, negligible vapour pressure and physical and chemical diversity due to the many permutations possible1. We have studied the IL [P6,6,6,14][DCA] as a self-indicating, simultaneous, multianalyte recognition system for heavy metal ions such as Cu2+ and Co2+. When incorporated into a polymer membrane, this system maintains all these at...

  17. MINOR ACTINIDE SEPARATIONS USING ION EXCHANGERS OR IONIC LIQUIDS

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, D.; Visser, A.; Bridges, N.

    2011-09-20

    This project seeks to determine if (1) inorganic-based ion exchange materials or (2) electrochemical methods in ionic liquids can be exploited to provide effective Am and Cm separations. Specifically, we seek to understand the fundamental structural and chemical factors responsible for the selectivity of inorganic-based ion-exchange materials for actinide and lanthanide ions. Furthermore, we seek to determine whether ionic liquids can serve as the electrolyte that would enable formation of higher oxidation states of Am and other actinides. Experiments indicated that pH, presence of complexants and Am oxidation state exhibit significant influence on the uptake of actinides and lanthanides by layered sodium titanate and hybrid zirconium and tin phosphonate ion exchangers. The affinity of the ion exchangers increased with increasing pH. Greater selectivity among Ln(III) ions with sodium titanate materials occurs at a pH close to the isoelectric potential of the ion exchanger. The addition of DTPA decreased uptake of Am and Ln, whereas the addition of TPEN generally increases uptake of Am and Ln ions by sodium titanate. Testing confirmed two different methods for producing Am(IV) by oxidation of Am(III) in ionic liquids (ILs). Experimental results suggest that the unique coordination environment of ionic liquids inhibits the direct electrochemical oxidation of Am(III). The non-coordinating environment increases the oxidation potential to a higher value, while making it difficult to remove the inner coordination of water. Both confirmed cases of Am(IV) were from the in-situ formation of strong chemical oxidizers.

  18. The Colloidal Stability of Magnetic Nanoparticles in Ionic Liquids

    Science.gov (United States)

    2015-08-03

    Final 3. DATES COVERED (From - To) 14 May 2014 – 13 May 2015 4. TITLE AND SUBTITLE The Colloidal Stability of Magnetic Nanoparticles in...Rev. 8-98) Prescribed by ANSI Std Z39-18 Final Report for AOARD Grant 144062 “The Colloidal Stability of Magnetic Nanoparticles in Ionic Liquids...sterically stabilized magnetic nanoparticles : Magnetic nanoparticles with an average core diameter of 25 nm used in this work were obtained from

  19. The Electrochemical Investigation of MEH-PPV in Ionic Liquid

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The electrochemical properties of MEH-PPV were studied in ionic liquid ( [bmim]+[PF6]- ) by cyclic voltammetry, chronoamperometry and AC impedance measurements.Both p- and n-doping of MEH-PPV were observed in the cyclic voltammograms.The chronoamperometric and AC impedance results indicate that the p-doping of MEH-PPV was controlled by the linear diffusion of counterions.

  20. In situ crystallization of low-melting ionic liquids.

    Science.gov (United States)

    Choudhury, Angshuman R; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I; Johnson, Kathleen A

    2005-12-07

    Single crystals of five very low-melting ionic liquids, [emim]BF4 (mp -1.3 degrees C), [bmim]PF6 (+1.9 degrees C), [bmim]OTf (+6.7 degrees C), [hexpy]NTf2 (-3.6 degrees C), and [bmpyr]NTf2 (-10.8 degrees C), have been grown using a combined calorimetric and zone-melting approach and their crystal structures determined by X-ray diffraction.

  1. Pretreatment and fractionation of wheat straw using various ionic liquids

    OpenAIRE

    Lopes,André; João, Karen; Bogel-Lukasik, Ewa; Roseiro, Luísa; Bogel-Lukasik, R.

    2013-01-01

    Pretreatment of lignocellulosic biomass with ionic liquids (ILs) is a promising and challenging process for an alternative method of biomass processing. The present work emphasizes the examination of wheat straw pretreatment using ILs, namely, 1-butyl-3-methylimidazolium hydrogensulfate ([bmim][HSO4]), 1-butyl-3-methylimidazolium thiocyanate ([bmim]-[SCN]), and 1-butyl-3-methylimidazolium dicyanamide ([bmim][N(CN)2]). Only [bmim][HSO4] was found to achieve a macroscopic complete dissolution o...

  2. Ionic Liquids in Bulk and at an Interface

    OpenAIRE

    Tariq, Mohammad; Shimizu, Karina; Lopes, Jose N. Canongia; Saramago, Benilde; Rebelo, Luis Paulo N.

    2015-01-01

    In the present chapter, we describe different types of investigation carried out by research groups based at CQE/IST/UTL and ITQB/UNL and their ramifications in terms of surface science. Most of the work is focused on the characterization of ionic liquids (ILs) (both by experimental and theoretical techniques) and on the different types of interaction that they can experience in the bulk or at an interface. Studies in the bulk include the analysis of the aggregation behavior (micelle formatio...

  3. Facile synthesis of thiourea derivatives in ionic liquid

    Institute of Scientific and Technical Information of China (English)

    Min Liang Xiao; Feng Huang Chen; Zhi Juan Chen; Bao Shou Guo; Xian Hai Lv; Wen Ming Tang

    2007-01-01

    The synthesis of cinnamoyl thiourea derivatives from cinnamoyl isothiocyanate (CIT) with substituted aniline (RC6H4NH2) was investigated in the mostly used ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate, [Bmim][BF4]. Significant enhancements in reactivity, yield and reaction rate were achieved. The products could be recovered by simple filtration. [Bmim][BF4] could be recycled simply by removing water under vacuum and reused at least 9 times without significant decrease in activity.

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

    Science.gov (United States)

    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.

  5. Ionic liquids screening for desulfurization of natural gasoline by liquid-liquid extraction.

    Science.gov (United States)

    Likhanova, Natalya V; Guzmán-Lucero, Diego; Flores, Eugenio A; García, Paloma; Domínguez-Aguilar, Marco A; Palomeque, Jorge; Martínez-Palou, Rafael

    2010-11-01

    Seventy five ionic liquids (ILs) were tested as a sequestering agent of sulfured compounds in natural gasoline (NG). Desulphurization of NG was performed by means of liquid-liquid extraction method at room temperature and atmospheric pressure. Experimental ILs containing imidazolium, pyridinium, and ammonium cations along with organic and inorganic anions were synthesized conventionally and under microwave and sonochemical conditions. The effect of the molecular structure of ILs on the desulfurization efficiency of NG with high sulfur content was evaluated. Analysis indicated that the anion type played a more important role than the cation on the desulphurization process. ILs based on halogen-ferrates and halogen-aluminates exhibited the highest efficiency in sulfur removal, and their efficiency is further improved when there is an excess of metallic salt in a ratio of at least 1:1.3 during the synthesis of the corresponding IL. An explanation for the ability of metallic ILs to remove sulfur-containing compounds from natural gasoline based on the ratio of the ionic charge to the atomic radius is proposed. Furthermore, a method to recover and reuse water-sensitive to halogenated precursors is described.

  6. Preparation of metal oxide nanoparticles in ionic liquid medium

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Cabo, Borja; Rodil, Eva; Soto, Ana; Arce, Alberto, E-mail: alberto.arce@usc.es [University of Santiago de Compostela, Department of Chemical Engineering, School of Engineering (Spain)

    2012-07-15

    In the present study, a facile, rapid, and environmentally friendly method was used for the preparation of metal oxide nanoparticles in an ionic liquid medium. This technique involves mixing and heating the corresponding powder material (cadmium oxide, anatase, and hematite) and the selected ionic liquid (trihexyl(tetradecyl)phosphonium chloride, [P{sub 6,6,6,14}]Cl), without any other precursors or solvents. The confirmation of the existence of nanoparticles in the ionic liquid was carried out using UV-Vis absorption spectroscopy, and its concentration was determined by X-ray fluorescence. In order to analyze the shape and size distribution, transmission electron microscopy and a ZetaSizer (DLS technique) were used; finding out that the size of the hematite nanoparticles was 10-55 nm. Nevertheless, for the cadmium oxide and the anatase nanoparticles, the size was between 2 and 15 nm. The composition of the prepared nanoparticles was studied by Raman spectroscopy. The structure of solids did not suffer any modification in their transformation to the nanoscale, as concluded from the X-ray powder diffraction analysis.

  7. Carbons, ionic liquids and quinones for electrochemical capacitors

    Directory of Open Access Journals (Sweden)

    Raul eDiaz

    2016-04-01

    Full Text Available Carbons are the main electrode materials used in electrochemical capacitors, which are electrochemical energy storage devices with high power densities and long cycling lifetimes. However, increasing their energy density will improve their potential for commercial implementation. In this regard, the use of high surface area carbons and high voltage electrolytes are well known strategies to increase the attainable energy density, and lately ionic liquids have been explored as promising alternatives to current state of the art acetonitrile-based electrolytes. Also, in terms of safety and sustainability ionic liquids are attractive electrolyte materials for electrochemical capacitors. In addition, it has been shown that the matching of the carbon pore size with the electrolyte ion size further increases the attainable electric double layer (EDL capacitance and energy density.The use of pseudocapacitive reactions can significantly increase the attainable energy density, and quinonic-based materials offer a potentially sustainable and cost effective research avenue for both the electrode and the electrolyte. This perspective will provide an overview of the current state of the art research on electrochemical capacitors based on combinations of carbons, ionic liquids and quinonic compounds, highlighting performances and challenges and discussing possible future research avenues. In this regard, current interest is mainly focused on strategies which may ultimately lead to commercially competitive sustainable high performance electrochemical capacitors for different applications including those requiring mechanical flexibility and biocompatibility.

  8. Carbons, ionic liquids and quinones for electrochemical capacitors

    Science.gov (United States)

    Diaz, Raul; Doherty, Andrew

    2016-04-01

    Carbons are the main electrode materials used in electrochemical capacitors, which are electrochemical energy storage devices with high power densities and long cycling lifetimes. However, increasing their energy density will improve their potential for commercial implementation. In this regard, the use of high surface area carbons and high voltage electrolytes are well known strategies to increase the attainable energy density, and lately ionic liquids have been explored as promising alternatives to current state of the art acetonitrile-based electrolytes. Also, in terms of safety and sustainability ionic liquids are attractive electrolyte materials for electrochemical capacitors. In addition, it has been shown that the matching of the carbon pore size with the electrolyte ion size further increases the attainable electric double layer (EDL) capacitance and energy density. The use of pseudocapacitive reactions can significantly increase the attainable energy density, and quinonic-based materials offer a potentially sustainable and cost effective research avenue for both the electrode and the electrolyte. This perspective will provide an overview of the current state of the art research on electrochemical capacitors based on combinations of carbons, ionic liquids and quinonic compounds, highlighting performances and challenges and discussing possible future research avenues. In this regard, current interest is mainly focused on strategies which may ultimately lead to commercially competitive sustainable high performance electrochemical capacitors for different applications including those requiring mechanical flexibility and biocompatibility.

  9. Fabrication of Greener Membranes from Ionic Liquid Solutions

    KAUST Repository

    Kim, DooLi

    2017-06-01

    Membrane technology plays a crucial role in different separation processes such as biotechnology, pharmaceutical, and food industries, drinking water supply, and wastewater treatment. However, there is a growing concern that solvents commonly used for membrane fabrication, such as dimethylformamide (DMF), dimethylacetamide (DMAc), and 1-methyl-2-pyrrolidone (NMP), are toxic to the environment and human health. To explore the possibility of substituting these toxic solvents by less toxic or safer solvents, polymers commonly used for membrane fabrication, such as polyacrylonitrile (PAN), cellulose acetate (CA), polyethersulfone (PES), and poly(ether imide sulfone) (EXTEMTM), were dissolved in ionic liquids. Flat sheet and hollow fiber membranes were then fabricated. The thermodynamics of the polymer solutions, the kinetics of phase inversion and other factors, which resulted in significant differences in the membrane structure, compared to those of membranes fabricated from more toxic solvents, were investigated. Higher water permeance with smaller pores, unique and uniform morphologies, and narrower pore size distribution, were observed in the ionic liquid-based membranes. Furthermore, comparable performance on separation of peptides and proteins with various molecular weights was achieved with the membranes fabricated from ionic liquid solutions. In summary, we propose less hazardous polymer solutions to the environment, which can be used for the membrane fabrication with better performance and more regular morphology.

  10. Ionic Liquids as Tool to Improve Enzymatic Organic Synthesis.

    Science.gov (United States)

    Itoh, Toshiyuki

    2017-08-09

    Ionic liquids (ILs) have now been acknowledged as reaction media for biotransformations. The first three examples were reported in this field in 2000, and since then, numerous applications have been reported for biocatalytic reactions using ILs. Two topics using ILs for enzymatic reactions have been reviewed from the standpoint of biocatalyst mediating organic synthesis; the first is "Biocatalysis in Ionic Liquids" which includes various types of biocatalytic reactions in ILs (section 2): (1) recent examples of lipase-mediated reactions using ILs as reaction media for biodiesel oil production and for sugar ester production, (2) oxidase-catalyzed reactions in ILs, (3) laccase-catalyzed reactions, (4) peroxidase-catalyzed reactions, (4) cytochrome-mediated reactions, (5) microbe-mediated hydrations, (6) protease-catalyzed reactions, (8) whole cell mediated asymmetric reduction of ketones, (10) acylase-catalyzed reactions, (11) glycosylation or cellulase-mediated hydrolysis of polysaccharides, (12) hydroxynitrile lyase-catalyzed reaction, (13) fluorinase or haloalkane dehydrogenase-catalyzed reaction, (14) luciferase-catalyzed reactions, and (15) biocatalytic promiscuity of enzymatic reactions for organic synthesis using ILs. The second is "Enzymes Activated by Ionic Liquids for Organic Synthesis", particularly describing the finding story of activation of lipases by the coating with a PEG-substituted IL (section 3). The author's opinion toward "Future Perspectives of Using ILs for Enzymatic Reactions" has also been discussed in section 4.

  11. Tetraalkylphosphonium polyoxometalate ionic liquids: novel, organic-inorganic hybrid materials.

    Science.gov (United States)

    Rickert, Paul G; Antonio, Mark R; Firestone, Millicent A; Kubatko, Karrie-Ann; Szreder, Tomasz; Wishart, James F; Dietz, Mark L

    2007-05-10

    Pairing of a Keggin or Lindqvist polyoxometalate (POM) anion with an appropriate tetraalkylphosphonium cation is shown to yield the first members of a new family of ionic liquids (ILs). Detailed characterization of one of them, an ambient-temperature "liquid POM" comprising the Lindqvist salt of the trihexyl(tetradecyl) phosphonium cation, by voltammetry, viscometry, conductimetry, and thermal analysis indicates that it exhibits conductivity and viscosity comparable to those of the one previously described inorganic-organic POM-IL hybrid but with substantially improved thermal stability.

  12. Tetraalkylphosphonium polyoxometalate ionic liquids : novel, organic-inorganic hybrid materials.

    Energy Technology Data Exchange (ETDEWEB)

    Rickert, P. G.; Antonio, M. P.; Firestone, M. A.; Kubatko, K.-A.; Szreder, T.; Wishart, J. F.; Dietz, M. L.; Chemistry; Univ. of Notre Dame; BNL

    2007-01-01

    Pairing of a Keggin or Lindqvist polyoxometalate (POM) anion with an appropriate tetraalkylphosphonium cation is shown to yield the first members of a new family of ionic liquids (ILs). Detailed characterization of one of them, an ambient-temperature 'liquid POM' comprising the Lindqvist salt of the trihexyl(tetradecyl) phosphonium cation, by voltammetry, viscometry, conductimetry, and thermal analysis indicates that it exhibits conductivity and viscosity comparable to those of the one previously described inorganic-organic POM-IL hybrid but with substantially improved thermal stability.

  13. Electrochemical oxidation behavior of hydroxypivalaldehyde in the ionic liquids

    Institute of Scientific and Technical Information of China (English)

    Jian Fang Zhong; De Liang He; Zhou Zhou; Yi Bin Xu

    2008-01-01

    The similar electrochemical oxidation behaviors of hydroxypivalaldehyde in ionic liquids (ILs) medium, QMIMPFg, C4MIMBF4 and CgMIMPF6, are investigated using classic electrochemical methods, respectively. Only the product, hydroxypivalic acid is detected by high performance liquid chromatography (HPLC). It can be conferred that the electrochemical oxidation of hydroxypivalaldehyde consists of two successive one-electron irreversible reactions at glass carbon (GC) electrode and the possible reaction mechanism in the ILs is proposed firstly. The diffusion coefficients of hydroxypivalaldehyde are obtained according to the electrochemical characteristics of hydroxypivalaldehyde in C4MIMPF6, C4MIMBF4 and C8MIMPF6.

  14. Pesticide extraction from table grapes and plums using ionic liquid based dispersive liquid-liquid microextraction.

    Science.gov (United States)

    Ravelo-Pérez, Lidia M; Hernández-Borges, Javier; Herrera-Herrera, Antonio V; Rodríguez-Delgado, Miguel Angel

    2009-12-01

    Room temperature ionic liquids (RTILs) have been used as extraction solvents in dispersive liquid-liquid microextraction (DLLME) for the determination of eight multi-class pesticides (i.e. thiophanate-methyl, carbofuran, carbaryl, tebuconazole, iprodione, oxyfluorfen, hexythiazox, and fenazaquin) in table grapes and plums. The developed method involves the combination of DLLME and high-performance liquid chromatography with diode array detection. Samples were first homogenized and extracted with acetonitrile. After evaporation and reconstitution of the extract in water containing sodium chloride, a quick DLLME procedure that used the ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate ([C(6)MIM][PF(6)]) and methanol was developed. The RTIL dissolved in a very small volume of acetonitrile was directed injected in the chromatographic system. The comparison between the calibration curves obtained from standards and from spiked sample extracts (matrix-matched calibration) showed the existence of a strong matrix effect for most of the analyzed pesticides. A recovery study was also developed with five consecutive extractions of the two types of fruits spiked at three concentration levels. Mean recovery values were in the range of 72-100% for table grapes and 66-105% for plum samples (except for thiophanate-methyl and carbofuran, which were 64-75% and 58-66%, respectively). Limits of detection (LODs) were in the range 0.651-5.44 microg/kg for table grapes and 0.902-6.33 microg/kg for plums, representing LODs below the maximum residue limits (MRLs) established by the European Union in these fruits. The potential of the method was demonstrated by analyzing 12 commercial fruit samples (six of each type).

  15. Ionic liquid based dispersive liquid-liquid microextraction for the extraction of pesticides from bananas.

    Science.gov (United States)

    Ravelo-Pérez, Lidia M; Hernández-Borges, Javier; Asensio-Ramos, María; Rodríguez-Delgado, Miguel Angel

    2009-10-23

    This paper describes a dispersive liquid-liquid microextraction (DLLME) procedure using room temperature ionic liquids (RTILs) coupled to high-performance liquid chromatography with diode array detection capable of quantifying trace amounts of eight pesticides (i.e. thiophanate-methyl, carbofuran, carbaryl, tebuconazole, iprodione, oxyfluorfen, hexythiazox and fenazaquin) in bananas. Fruit samples were first homogenized and extracted (1g) with acetonitrile and after suitable evaporation and reconstitution of the extract in 10 mL of water, a DLLME procedure using 1-hexyl-3-methylimidazolium hexafluorophosphate ([C(6)MIM][PF(6)]) as extraction solvent was used. Experimental conditions affecting the DLLME procedure (sample pH, sodium chloride percentage, ionic liquid amount and volume of disperser solvent) were optimized by means of an experimental design. In order to determine the presence of a matrix effect, calibration curves for standards and fortified banana extracts (matrix matched calibration) were studied. Mean recovery values of the extraction of the pesticides from banana samples were in the range of 69-97% (except for thiophanate-methyl and carbofuran, which were 53-63%) with a relative standard deviation lower than 8.7% in all cases. Limits of detection achieved (0.320-4.66 microg/kg) were below the harmonized maximum residue limits established by the European Union (EU). The proposed method, was also applied to the analysis of this group of pesticides in nine banana samples taken from the local markets of the Canary Islands (Spain). To the best of our knowledge, this is the first application of RTILs as extraction solvents for DLLME of pesticides from samples different than water.

  16. Ionic Liquids as Mobile Phase Additives for Separation of Nucleotides in High-Performance Liquid Chromatography

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Wen-Zhu(张文珠); HE,Li-Jun(何丽君); LIU,Xia(刘霞); JIANG,Sheng-Xiang(蒋生祥)

    2004-01-01

    Ionic liquids are a type of salts that are liquid at low temperature (< 100 ℃). Because of their some special properties, they have been widely used as new "green solvents" for many chemical reactions and liquid-liquid extraction in the past several years. In this paper, a new method for the separation of nucleotides is developed and the essential feature of the method is that 1-alkyl-3-methylimidazolium salts are used as mobile phase additives, resulting in a baseline separation of nucleotides without need of gradient elution and need of organic solvent addition as currently used in RP-HPLC. This study shows the potential application of ionic liquids as mobile phase additives in reversed-phase liquid chromatography.

  17. Conditions for and characteristics of nonaqueous micellar solutions and microemulsions with ionic liquids

    OpenAIRE

    Zech, Oliver; Kunz, Werner

    2011-01-01

    Research on nonaqueous microemulsions containing ionic liquids as polar and/or apolar phase, respectively, is growing at a fast rate. One key property of ionic liquids that highlights their potential and their diversification compared to water is their wide liquid temperature range. In this emerging-area review article we survey recent developments in the field of nonaqueous micellar solutions and microemulsions containing ionic liquids in general with a strong emphasis on the effect of tempe...

  18. Ionic Liquids for Utilization of Waste Heat from Distributed Power Generation Systems

    Energy Technology Data Exchange (ETDEWEB)

    Joan F. Brennecke; Mihir Sen; Edward J. Maginn; Samuel Paolucci; Mark A. Stadtherr; Peter T. Disser; Mike Zdyb

    2009-01-11

    The objective of this research project was the development of ionic liquids to capture and utilize waste heat from distributed power generation systems. Ionic Liquids (ILs) are organic salts that are liquid at room temperature and they have the potential to make fundamental and far-reaching changes in the way we use energy. In particular, the focus of this project was fundamental research on the potential use of IL/CO2 mixtures in absorption-refrigeration systems. Such systems can provide cooling by utilizing waste heat from various sources, including distributed power generation. The basic objectives of the research were to design and synthesize ILs appropriate for the task, to measure and model thermophysical properties and phase behavior of ILs and IL/CO2 mixtures, and to model the performance of IL/CO2 absorption-refrigeration systems.

  19. Separation of carbon dioxide from nitrogen or methane by supported ionic liquid membranes (SILMs): influence of the cation charge of the ionic liquid.

    Science.gov (United States)

    Hojniak, Sandra D; Khan, Asim Laeeq; Hollóczki, Oldamur; Kirchner, Barbara; Vankelecom, Ivo F J; Dehaen, Wim; Binnemans, Koen

    2013-12-05

    Supported ionic liquid membranes (SILMs) are promising tools for the separation of carbon dioxide from other gases. In this paper, new imidazolium, pyrrolidinium, piperidinium, and morpholinium ionic liquids with a triethylene glycol side chain and tosylate anions, as well as their symmetrical dicationic analogues, have been synthesized and incorporated into SILMs. The selectivities for CO2/N2 and CO2/CH4 separations have been measured. The selectivities exhibited by the dicationic ionic liquids are up to two times higher than the values of the corresponding monocationic ionic liquids. Quantum chemical calculations have been used to investigate the difference in the interaction of carbon dioxide with monocationic and dicationic ionic liquids. The reason for the increased gas separation selectivity of the dicationic ionic liquids is two-fold: (1) a decrease in permeance of nitrogen and methane through the ionic liquid layer, presumably due to their less favorable interactions with the gases, while the permeance of carbon dioxide is reduced much less; (2) an increase in the number of interaction sites for the interactions with the quadrupolar carbon dioxide molecules in the dicationic ionic liquids, compared to the monocationic analogues.

  20. PEG-linked geminal dicationic ionic liquids as selective, high-stability gas chromatographic stationary phases.

    Science.gov (United States)

    Huang, Ke; Han, Xinxin; Zhang, Xiaotong; Armstrong, Daniel W

    2007-12-01

    It is known that room-temperature ionic liquids (RTILs) have wide applicability in many scientific and technological fields. In this work, a series of three new dicationic room-temperature ionic liquids functionalized with poly(ethylene glycol) (PEG) linkages were synthesized and characterized via a linear solvation model. The application of these ILs as new GC stationary phases was studied. The efficient separation of several mixtures containing compounds of different polarities and 24 components of a flavor and fragrance mixture indicated comparable or higher resolving power for the new IL stationary phases compared to the commercial polysiloxane and poly(ethylene glycol)-based stationary phases. In addition, the selectivities of the IL stationary phases could be quite unique. The separation of a homologous alkane and alcohol mixture displayed the "dual nature" of these ionic liquids as GC stationary phases. The thermal stability study showed the column robustness up to 350 degrees C. The high separation power, unique selectivity, high efficiency and high thermal stability of the new dicationic ionic liquids indicate that they may be applicable as a new type of robust GC stationary phase.

  1. Photoinduced Bimolecular Electron Transfer from Cyano Anions in Ionic Liquids.

    Science.gov (United States)

    Wu, Boning; Liang, Min; Maroncelli, Mark; Castner, Edward W

    2015-11-19

    Ionic liquids with electron-donating anions are used to investigate rates and mechanisms of photoinduced bimolecular electron transfer to the photoexcited acceptor 9,10-dicyanoanthracene (9,10-DCNA). The set of five cyano anion ILs studied comprises the 1-ethyl-3-methylimidazolium cation paired with each of these five anions: selenocyanate, thiocyanate, dicyanamide, tricyanomethanide, and tetracyanoborate. Measurements with these anions dilute in acetonitrile and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide show that the selenocyanate and tricyanomethanide anions are strong quenchers of the 9,10-DCNA fluorescence, thiocyanate is a moderately strong quencher, dicyanamide is a weak quencher, and no quenching is observed for tetracyanoborate. Quenching rates are obtained from both time-resolved fluorescence transients and time-integrated spectra. Application of a Smoluchowski diffusion-and-reaction model showed that the complex kinetics observed can be fit using only two adjustable parameters, D and V0, where D is the relative diffusion coefficient between donor and acceptor and V0 is the value of the electronic coupling at donor-acceptor contact.

  2. Binding energies of CO2 with some ionic liquids

    Science.gov (United States)

    Eucker, William; Bendler, John

    2007-03-01

    Room temperature ionic liquids (RTILs), a novel class of materials with negligible vapor pressures and potentiality as benign solvents, may be an ideal chemical for carbon dioxide (CO2) gas sequestration. Ab initio computational modeling was used to investigate the molecular interactions of simple RTIL anions hexafluorophosphate (PF6^-) and tetrafluoroborate (BF4^-) with CO2. Electronic potential energy surface (PES) scans of a comprehensive sampling of 1:1 anion-CO2 orientations were computed using Spartan '02 with Dunning's correlation consistent basis sets. Qualitatively, the PES scans yielded deeper, more numerous and radially closer active sites surrounding BF4^- anion as compared with the PF6^- anion. Quantitatively, the binding energies of 17.87 kJ/mol and 25.24 kJ/mol were extracted from the identified global energy minima for the PF6^- and BF4^- systems, respectively. The smaller BF4^- anion was concluded to bind more strongly to the CO2. However, literature-reported experimental Henry's law constants for CO2 dissolved in imidizolium based RTILs show greater gas solvation in the PF6^- system. The discrepancy between the energetics calculation results and the experimental solvation data will be discussed.

  3. Chain exchange kinetics of block copolymer micelles in ionic liquids

    Science.gov (United States)

    Ma, Yuanchi; Lodge, Timothy

    The chain exchange kinetics of block copolymer micelles has been studied using time-resolved small-angle neutron scattering (TR-SANS), a key tool in determining the average micelle composition in contrast-matched solvents. In this work, PMMA-block-PnBMA was selected as the model block copolymer, which has a LCST behavior in the common ionic liquids, [EMIM][TFSI] and [BMIM][TFSI]. We examined the chain exchange kinetics of three PMMA-block-PnBMA copolymers, with identical PMMA block length (MPMMA = 25000) and different PnBMA block lengths (MPnBMA = 24000, 35000 and 53000); the Flory-Huggins interaction parameter (χ) between the core (PnBMA) and the solvent were varied by mixing [EMIM][TFSI] and [BMIM][TFSI] in different ratios. We found that the relaxation of the initial segregation of h- and d- micelles followed the same form with the time as previously developed by our group. Assuming that single chain expulsion is the rate limiting step, the thermal barrier was found to depend linearly on the core block length (Ncore) . Furthermore, the effect of χ on the chain exchange kinetics will also be discussed.

  4. Liquid-liquid equilibrium of cholinium-derived bistriflimide ionic liquids with water and octanol.

    Science.gov (United States)

    Costa, Anabela J L; Soromenho, Mário R C; Shimizu, Karina; Marrucho, Isabel M; Esperança, José M S S; Canongia Lopes, J N; Rebelo, Luís Paulo N

    2012-08-02

    The liquid-liquid equilibria of mixtures of cholinum-based ionic liquids (N-alkyl-N,N-dimethylhydroxyethylammonium bis(trifluoromethane)sulfonylimide, [N(11n2OH)][Ntf(2)], n = 1, 2, 3, 4, and 5) plus water or 1-octanol were investigated at atmospheric pressure over the entire composition range. The experiments were conducted between 265 and 385 K using the cloud-point method. The systems exhibit phase diagrams consistent with the existence of upper critical solution temperatures. The solubility of [N(1 1 n 2OH)][Ntf(2)] in water is lower for cations with longer alkyl side chains (larger n values). The corresponding trend in the octanol mixtures is reversed. The ([N(1 1 1 2OH)][Ntf(2)] + water + octanol) ternary system shows triple liquid-liquid immiscibility at room temperature and atmospheric pressure. A combined analytic/synthetic method was used to estimate the corresponding phase diagram under those conditions. Auxiliary molecular dynamics simulation data were used to interpret the experimental results at a molecular level.

  5. Synthesis and characterization of new class of ionic liquids containing phenolate anion

    Energy Technology Data Exchange (ETDEWEB)

    Lethesh, Kallidanthiyil Chellappan, E-mail: lethesh.chellappan@petronas.com.my [PETRONAS Ionic Liquids Center, Universiti Teknologi PETRONAS (Malaysia); Wilfred, Cecilia Devi; Taha, M. F. [Department of Chemical Engineering, Universiti Teknologi PETRONAS (Malaysia); Thanabalan, M. [Fundamental and Applied Sciences, Universiti Teknologi PETRONAS (Malaysia)

    2014-10-24

    In these manuscript novel ionic liquids containing a new class of 'phenolate' anions was synthesized and characterized. 1-methylmidazole with different alkyl chains such as butyl, hexyl and octyl groups was used as the cationic part. All the ionic liquids were obtained as liquids at room temperature. The synthesized ionic liquids were characterized using {sup 1}H NMR and {sup 13}C NMR spectroscopy. The thermal stability of the ionic liquids was studied using thermo gravimetric analysis (TGA). The effect of temperature on the density and viscosity of the ionic liquids were studied over a temperature range from 293.15 K to 373.15K at atmospheric pressure. From the experimental values of density, the molecular volume, standard molar entropy and the lattice energy of the ionic liquids were calculated.

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

    Science.gov (United States)

    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.

  7. Determination and modelling of osmotic coefficients and vapour pressures of binary systems 1- and 2-propanol with C{sub n}MimNTf{sub 2} ionic liquids (n = 2, 3, and 4) at T = 323.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Calvar, Noelia [LSRE - Laboratory of Separation and Reaction Engineering, Associate Laboratory, LSRE/LCM, Department of Chemical Engineering, Faculty of Engineering, Rua Dr. Roberto Frias s/n, Porto 4200-465 (Portugal); Gomez, Elena; Dominguez, Angeles [Advanced Separation Processes Group, Department of Chemical Engineering, University of Vigo, 36310 Vigo (Spain); Macedo, Eugenia A., E-mail: eamacedo@fe.up.pt [LSRE - Laboratory of Separation and Reaction Engineering, Associate Laboratory, LSRE/LCM, Department of Chemical Engineering, Faculty of Engineering, Rua Dr. Roberto Frias s/n, Porto 4200-465 (Portugal)

    2011-08-15

    Highlights: > Osmotic coefficients of 1- and 2-propanol with C{sub n}MimNTf{sub 2} (n = 2, 3, and 4) are determined. > Experimental data were correlated with extended Pitzer model of Archer and MNRTL. > Mean molal activity coefficients and excess Gibbs free energies were calculated. > Effect of the anion is studied comparing these results with literature. - Abstract: The osmotic and activity coefficients and vapour pressures of binary mixtures containing 1-propanol, or 2-propanol and imidazolium-based ionic liquids with bis(trifluoromethylsulfonyl)imide as anion (1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, C{sub 2}MimNTf{sub 2}, 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide, C{sub 3}MimNTf{sub 2}, and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, C{sub 4}MimNTf{sub 2}) were determined at T = 323.15 K using the vapour pressure osmometry technique. The experimental osmotic coefficients were correlated using the extended Pitzer model modified by Archer and the MNRTL model, obtaining standard deviations lower than 0.033 and 0.064, respectively. The mean molal activity coefficients and the excess Gibbs free energy for the mixtures studied were calculated from the parameters of the extended Pitzer model modified by Archer. Besides the effect of the alkyl-chain of the cation, the effect of the anion can be assessed comparing the experimental results with those previously obtained for imidazolium ionic liquids with sulphate anions.

  8. Application of Ionic Liquids in High Performance Reversed-Phase Chromatography

    Science.gov (United States)

    Wang, Ye; Tian, Minglei; Bi, Wentao; Row, Kyung Ho

    2009-01-01

    Ionic liquids, considered “green” chemicals, are widely used in many areas of analytical chemistry due to their unique properties. Recently, ionic liquids have been used as a kind of novel additive in separation and combined with silica to synthesize new stationary phase as separation media. This review will focus on the properties and mechanisms of ionic liquids and their potential applications as mobile phase modifier and surface-bonded stationary phase in reversed-phase high performance liquid chromatography (RP-HPLC). Ionic liquids demonstrate advantages and potential in chromatographic field. PMID:19582220

  9. Application of Ionic Liquids in High Performance Reversed-Phase Chromatography

    Directory of Open Access Journals (Sweden)

    Wentao Bi

    2009-06-01

    Full Text Available Ionic liquids, considered “green” chemicals, are widely used in many areas of analytical chemistry due to their unique properties. Recently, ionic liquids have been used as a kind of novel additive in separation and combined with silica to synthesize new stationary phase as separation media. This review will focus on the properties and mechanisms of ionic liquids and their potential applications as mobile phase modifier and surface-bonded stationary phase in reversed-phase high performance liquid chromatography (RP-HPLC. Ionic liquids demonstrate advantages and potential in chromatographic field.

  10. Evaluation of thermodynamic properties for non-crystallizable ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Paulechka, Yauheni U., E-mail: paulechka@gmail.com; Blokhin, Andrey V.; Kabo, Gennady J.

    2015-03-20

    Highlights: • Heat capacity in the temperature range (5–370) K was measured for three imidazolium ionic liquids. • T{sub g}/T{sub fus} quotient for [C{sub n}mim]An is close to 2/3. • Heat capacity change at the glass transition for these liquids rise with the alkyl chain length increase. • Trends in residual entropy and enthalpy for [C{sub n}mim]An are determined. - Abstract: Heat capacity of three glass-forming imidazolium ionic liquids (ILs) was studied by adiabatic calorimetry in the temperature range (5–370) K. Using the experimental data obtained in this work and those available in literature it was demonstrated that for all the studied glass-forming imidazolium ILs except [C{sub 8}mim]BF{sub 4} the T{sub g}/T{sub fus} quotient is close to 2/3. The anion symmetry and the alkyl chain length were found to be the most important factors affecting heat capacity changes at the glass transition. The values of the residual entropy for the [C{sub 4}mim]An ILs can be explained by conformational disorder of the ions. However, since no statistically significant dependence of this quantity of the alkyl chain length was observed it is possible that the conformational disorder of the alkyl chains in ILs is lower than in molecular liquids or gases.

  11. Ionic liquid-based stable nanofluids containing gold nanoparticles.

    Science.gov (United States)

    Wang, Baogang; Wang, Xiaobo; Lou, Wenjing; Hao, Jingcheng

    2011-10-01

    A one-phase and/or two-phase method were used to prepare the stable ionic liquid-based nanofluids containing same volume fraction but different sizes or surface states of gold nanoparticles (Au NPs) and their thermal conductivities were investigated in more detail. Five significant experiment parameters, i.e. temperature, dispersion condition, particle size and surface state, and viscosity of base liquid, were evaluated to supply experimental explanations for heat transport mechanisms. The conspicuously temperature-dependent and greatly enhanced thermal conductivity under high temperatures verify that Brownian motion should be one key effect factor in the heat transport processes of ionic liquid-based gold nanofluids. While the positive influences of proper aggregation and the optimized particle size on their thermal conductivity enhancements under some specific conditions demonstrate that clustering may be another critical effect factor in heat transport processes. Moreover, the remarkable difference of the thermal conductivity enhancements of the nanofluids containing Au NPs with different surface states could be attributed to the surface state which has a strong correlation with not only Brownian motion but also clustering. Whilst the close relationship between their thermal conductivity enhancements and the viscosity of base liquid further indicate Brownian motion must occupy the leading position among various influencing factors. Finally, a promisingly synergistic effect of Brownian motion and clustering based on experimental clues and theoretical analyses was first proposed, justifying different mechanisms are sure related. The results may shed lights on comprehensive understanding of heat transport mechanisms in nanofluids.

  12. Meta-analysis of ionic liquid literature and toxicology.

    Science.gov (United States)

    Heckenbach, Mary E; Romero, Felicia N; Green, Matthew D; Halden, Rolf U

    2016-05-01

    A meta-analysis was conducted to compare the total amount of ionic liquid (IL) literature (n = 39,036) to the body of publications dealing with IL toxicity (n = 213) with the goal of establishing the state of knowledge and existing information gaps. Additionally, patent literature pertaining to issued patents utilizing ILs (n = 3358) or dealing with IL toxicity (n = 112) were analyzed. Total publishing activity and patent count served to gauge research activity, industrial usage and toxicology knowledge of ILs. Five of the most commonly studied IL cations were identified and used to establish a relationship between toxicity data and potential of commercial use: imidazolium, ammonium, phosphonium, pyridinium, and pyrrolidinium. Toxicology publications for all IL cations represented 0.55% ± 0.27% of the total publishing activity; compared with other industrial chemicals, these numbers indicate that there is still a paucity of studies on the adverse effects of this class of chemical. Toxicity studies on ILs were dominated by the use of in vitro models (18%) and marine bacteria (15%) as studied biological systems. Whole animal studies (n = 87) comprised 31% of IL toxicity studies, with a subset of in vivo mammalian models consisting of 8%. Human toxicology data were found to be limited to in vitro analyses, indicating substantial knowledge gaps. Risks from long-term and chronic low-level exposure to ILs have not been established yet for any model organisms, reemphasizing the need to fill crucial knowledge gaps concerning human health effects and the environmental safety of ILs. Adding to the existing knowledge of the molecular toxicity characteristics of ILs can help inform the design of greener, less toxic and more benign IL technologies.

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

    CERN Multimedia

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

  14. The prediction of selectivity of ionic liquid by COSMO-SAC model%基于COSMO-SAC模型对离子液体选择性的预测

    Institute of Scientific and Technical Information of China (English)

    余冬梅; 左麦芳; 李毅; 邵先钊

    2014-01-01

    Based on the results of theσprofile of water, 1,4-dioxane, acetone, hexane, 1-octanol, cyclohexane, benzene and the ionic liquid, the activity coefficient of two-phase system of solutes and ILs were calculated using the COSMO-SAC model to predict the equilibrium. The activity coefficients at infinite dilution of cyclohexane, benzene, xylene, m-xylene and o-xylene in the ionic liquid were calculated;provide the basis for the selection of ionic liquid on separation of aliphatic / aromatic hydrocarbon mixtures, p-xylene / m-xylene mixture, p-xylene /o-xylene mixture.%以水,1,4二氧六环,丙酮,正己烷,1-辛醇,环己烷,苯以及离子液体的σprofile计算结果为基础,采用COSMO-SAC模型对各种两相系统的活度系数进行计算,以预测相平衡。预测了环己烷、苯、对二甲苯、间二甲苯和邻二甲苯在离子液体1-乙基-3-甲基咪唑四氟硼酸盐[Emim][BF4]和1-丁基-3-甲基咪唑二氰胺盐[Bmim][(CN)2N]中的无限稀释活度系数,为选择合适离子液体分离脂肪烃/芳香烃混合体系,对二甲苯/间二甲苯混合物,对二甲苯/邻二甲苯混合物提供依据。

  15. Ionic liquid foam floatation coupled with ionic liquid dispersive liquid-liquid microextraction for the separation and determination of estrogens in water samples by high-performance liquid chromatography with fluorescence detection.

    Science.gov (United States)

    Zhang, Rui; Wang, Chuanliu; Yue, Qiaohong; Zhou, Tiecheng; Li, Na; Zhang, Hanqi; Hao, Xiaoke

    2014-11-01

    An ionic liquid foam floatation coupled with ionic liquid dispersive liquid-liquid microextraction method was proposed for the extraction and concentration of 17-α-estradiol, 17-β-estradiol-benzoate, and quinestrol in environmental water samples by high-performance liquid chromatography with fluorescence detection. 1-Hexyl-3-methylimidazolium tetrafluoroborate was applied as foaming agent in the foam flotation process and dispersive solvent in microextraction. The introduction of the ion-pairing and salting-out agent NH4 PF6 was beneficial to the improvement of recoveries for the hydrophobic ionic liquid phase and analytes. Parameters of the proposed method including concentration of 1-hexyl-3-methylimidazolium tetrafluoroborate, flow rate of carrier gas, floatation time, types and concentration of ionic liquids, salt concentration in samples, extraction time, and centrifugation time were evaluated. The recoveries were between 98 and 105% with relative standard deviations lower than 7% for lake water and well water samples. The isolation of the target compounds from the water was found to be efficient, and the enrichment factors ranged from 4445 to 4632. This developing method is free of volatile organic solvents compared with regular extraction. Based on the unique properties of ionic liquids, the application of foam floatation, and dispersive liquid-liquid microextraction was widened.

  16. Dispersing of Petroleum Asphaltenes by Acidic Ionic Liquid and Determination by UV-Visible Spectroscopy

    Directory of Open Access Journals (Sweden)

    Eshagh Rezaee Nezhad

    2013-01-01

    Full Text Available Nowadays, constructing a mechanism to prevent the aggregation petroleum asphaltenes by the use of new acidic ionic liquids has become of fundamental importance. In this research, 3-(2-carboxybenzoyl-1-methyl-1H-imidazol-3-ium chloride ([CbMIM] [Cl] and other ionic liquids such as [CbMIM]BF4, [HMIM]Cl, [BMIM]Br, and [HMIM]HSO4 were tested. It should be noted that during the experiment the presence of the acidic ionic liquid moiety enhanced interactions between asphaltenes and acidic ionic liquids and it greatly limited asphaltene aggregation. We considered parameters such as temperature, amount of dispersant, effect of water: toluene ratio, the stirring time and effects of other ionic liquids, and determination of concentration of petroleum asphaltenes after dispersing by acidic ionic liquid under various parameters using UV-Visible spectroscopy.

  17. Ionic liquid-based materials: a platform to design engineered CO2 separation membranes.

    Science.gov (United States)

    Tomé, Liliana C; Marrucho, Isabel M

    2016-05-21

    During the past decade, significant advances in ionic liquid-based materials for the development of CO2 separation membranes have been accomplished. This review presents a perspective on different strategies that use ionic liquid-based materials as a unique tuneable platform to design task-specific advanced materials for CO2 separation membranes. Based on compilation and analysis of the data hitherto reported, we provide a judicious assessment of the CO2 separation efficiency of different membranes, and highlight breakthroughs and key challenges in this field. In particular, configurations such as supported ionic liquid membranes, polymer/ionic liquid composite membranes, gelled ionic liquid membranes and poly(ionic liquid)-based membranes are detailed, discussed and evaluated in terms of their efficiency, which is attributed to their chemical and structural features. Finally, an integrated perspective on technology, economy and sustainability is provided.

  18. Mechanism of graphene formation by graphite electro-exfoliation in ionic liquids-water mixtures

    Science.gov (United States)

    Xu, Junli; Shi, Zhongning; Zhang, Xia; Haarberg, Geir Martin

    2014-12-01

    Graphene was produced from graphite electrode by exfoliation in ionic liquid. The influences of process parameters such as ionic liquid concentration, electrolysis potential and the type of anions in the ionic liquid on the production of graphene were studied, and a new mechanism is proposed. The results show that the increase of ionic liquid concentration is beneficial for the formation of graphene, and it is easier to produce graphene by increasing the applied voltage. Ionic liquids anions have great effect on the production of graphene. Both graphite anode and graphite cathode can be modified to graphene during electrolysis. Gases formed inside of the electrode play an important role for the production of graphene, while ionic liquids serve to accelerate the switching rate of graphite to graphene.

  19. Tuning ionic liquids for high gas solubility and reversible gas sorption

    DEFF Research Database (Denmark)

    Huang, Jun; Riisager, Anders; Berg, Rolf W.

    2008-01-01

    a moderate association between gas and liquid, which also could be confirmed by Raman and UV–vis spectroscopy on the gas-saturated (1 bar) ionic liquids. Knowledge of gas solubilities and the reversible gas absorption capacity of ionic liquids are believed to have importance for their possible application...

  20. A novel ionic liquid-tolerant Fusarium oxysporum BN secreting ionic liquid-stable cellulase: consolidated bioprocessing of pretreated lignocellulose containing residual ionic liquid.

    Science.gov (United States)

    Xu, Jiaxing; Wang, Xinfeng; Hu, Lei; Xia, Jun; Wu, Zhen; Xu, Ning; Dai, Benlin; Wu, Bin

    2015-04-01

    In this study, microbial communities from chemicals polluted microhabitats were cultured with the addition of imidazolium-based ionic liquid (IL) to enrich for IL-tolerant microbes. A strain of Fusarium oxysporum BN producing cellulase from these enrichments was capable of growing in 10% (w/v) 1-ethyl-3-methylimidazolium phosphinate, much higher than the normal IL concentrations in the lignocellulose regenerated from ILs. Cellulase secreted by the strain showed high resistance to ILs based on phosphate and sulfate radicals, evidencing of a high conformational stability in relevant media. Gratifyingly, F. oxysporum BN can directly convert IL-pretreated rice straw to bioethanol via consolidated bioprocessing (I-CBP). At optimum fermentation condition, a maximum ethanol yield of 0.125 g ethanol g(-1) of rice straw was finally obtained, corresponding to 64.2% of the theoretical yield. Copyright © 2015 Elsevier Ltd. All rights reserved.