WorldWideScience

Sample records for binary organic liquid

  1. Viscosity of binary mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid with four organic solvents

    International Nuclear Information System (INIS)

    Ciocirlan, Oana; Croitoru, Oana; Iulian, Olga

    2016-01-01

    Highlights: • Viscosities of four binary mixtures of [Emim][BF4] with organic solvents. • Viscosity models based on Eyring’s theory. • Excess functions calculated. • Data for binaries new in the literature, except for system with DMSO. - Abstract: This paper reports experimental values of dynamic viscosity for four binary systems of 1-ethyl-3-methylimidazolium tetrafluoroborate, [Emim][BF4], with dimethyl sulfoxide (DMSO), acetonitrile (ACN), ethylene glycol (EG) and 1,4-dioxane over the temperature ranges from 293.15 K to 353.15 K at p = 0.1 MPa. All binary mixtures were completely miscible over the entire range of mole fraction, except the system with 1,4-dioxane. The viscosity results have been correlated by the one parameter Grunberg–Nissan and Fang and He equations and the two-parameter McAllister, Eyring-UNIQUAC, Eyring-NRTL and Eyring-Wilson models and the results were compared. Additionally, the viscosity deviations, Δη, and the excess Gibbs energy of activation for viscous flow, G ∗E , were calculated and fitted to the Redlich–Kister equation. The results show that all Δη values are negative over the whole composition range and the G ∗E values are positive, except for the system with EG. The results of the excess functions are discussed in terms of molecular interactions.

  2. Laser photolysis study of anthraquinone in binary mixtures ofionic liquid [bmim][PF6] and organic solvent

    Directory of Open Access Journals (Sweden)

    Side Yao

    2006-12-01

    Full Text Available Photochemical properties of the ionic liquid (RTIL 1-butyl-3-methylimidazoliumhexafluorophosphate [bmim][PF6] and its binary mixed solutions with organic solvent(DMF and MeCN were investigated by laser photolysis at an excitation wavelength of 355nm, using anthraquinone (AQ as a probe molecule. It was indicated that the triplet excitedstate of AQ (3AQ* can abstract hydrogen from [bmim][PF6]. Moreover, along with thechange of the ratio of RTIL and organic solvent, the reaction rate constant changes regularly.Critical points were observed at volume fraction VRTIL = 0.2 for RTIL/MeCN and VRTIL =0.05 for RTIL/DMF. For both systems, before the critical point, the rate constant increasesrapidly with increasing VRTIL; however, it decreases obviously with VRTIL after the criticalpoint. We conclude that the concentration dependence is dominant at lower VRTIL, while theviscosity and phase transformation are dominant at higher VRTIL for the effect of ionic liquidon the decay of rate constant.

  3. Phase equilibria study of the binary systems (1-butyl-3-methylimidazolium tosylate ionic liquid + water, or organic solvent)

    International Nuclear Information System (INIS)

    Domanska, Urszula; Krolikowski, Marek

    2010-01-01

    (Solid + liquid) phase equilibria (SLE) and (liquid + liquid) phase equilibria (LLE) for the binary systems: ionic liquid (IL) 1-butyl-3-methylimidazolim tosylate (p-toluenesulfonate) {[BMIM][TOS] + water, an alcohol (ethanol, or 1-butanol, or 1-hexanol, or 1-octanol, or 1-decanol), or n-hexane, or an aromatic hydrocarbons (benzene, or toluene, or ethylbenzene, or propylbenzene, or thiophene)} have been determined at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from (230 to 340) K. For the binary systems containing water, or an alcohol, simple eutectic diagrams were observed with complete miscibility in the liquid phase. As usual, with increasing chain length of the alcohol the solubility decreases. In the case of mixtures {IL + n-hexane, or benzene, or alkylbenzene, or thiophene} the eutectic systems with mutual immiscibility in the liquid phase with an upper critical solution temperature (UCST) were detected. The basic thermal properties of the pure IL, i.e. melting and glass-transition temperatures, as well as the enthalpy of fusion have been measured using a differential scanning microcalorimetry technique (DSC). Density at high temperatures was determined and extrapolated to 298.15 K. Well-known UNIQUAC, Wilson and NRTL equations have been used to correlate experimental SLE data sets for alcohols and water. For the systems containing immiscibility gaps {IL + n-hexane, or benzene, or alkylbenzene, or thiophene}, parameters of the LLE correlation equation have been derived using only the NRTL equation.

  4. Binary, ternary and quaternary liquid-liquid equilibria in 1-butanol, oleic acid, water and n-heptane mixtures

    NARCIS (Netherlands)

    Winkelman, J. G. M.; Kraai, G. N.; Heeres, H. J.

    2009-01-01

    This work reports on liquid-liquid equilibria in the system 1-butanol, oleic acid, water and n-heptane used for biphasic, lipase catalysed esterifications. The literature was studied on the mutual solubility in binary systems of water and each of the organic components. Experimental results were

  5. in Binary Liquid Mixtures of Ethyl benzoate

    Directory of Open Access Journals (Sweden)

    Shaik Babu

    2012-01-01

    Full Text Available Ultrasonic velocity is measured at 2MHz frequency in the binary mixtures of Ethyl Benzoate with 1-Propanol, 1-Butanol, 1-Pentanol and theoretical values of ultrasonic velocity have been evaluated at 303K using Nomoto's relation, Impedance relation, Ideal mixture relation, Junjie's method and free length theory. Theoretical values are compared with the experimental values and the validity of the theories is checked by applying the chi-square test for goodness of fit and by calculating the average percentage error (APE. A good agreement has been found between experimental and Nomoto’s ultrasonic velocity.

  6. Binary mixtures of ionic liquids: a joint approach to investigate their properties and catalytic ability.

    Science.gov (United States)

    D'Anna, Francesca; Marullo, Salvatore; Vitale, Paola; Noto, Renato

    2012-05-14

    The growing interest in the properties and applications of ionic liquids has recently led to research into the possibility of using their binary mixtures. This work reports on the effects of binary mixtures of ionic liquids on the outcome of organic reactions such as the mononuclear rearrangement of heterocycles and the solvatochromic behavior of Nile Red. Binary mixtures formed by ionic liquids differing in the structure of the cation and the anion are taken into account. In particular, ionic liquids such as 1-benzyl-3-butylimidazolium bis(trifluoromethanesulfonyl)imide, 1-(2,3,4,5,6-pentafluorobenzyl)-3-butylimidazolium bis(trifluoromethanesulfonyl)imide, and 1-benzyl-3-butylimidazolium tetrafluoroborate, are studied. To achieve a deep understanding of the properties of ionic-liquid binary mixtures, their three-dimensional organization was analyzed by a combination of resonance light scattering, UV/Vis spectroscopy, and (1)H and (19)F NMR spectroscopy. Data collected herein evidence that the most significant changes in the ionic lattice structure, and consequently the most pronounced effects exerted as solvent media, occur when the studied system involves a blend of different anions. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Hopping in a supercooled binary Lennard-Jones liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    1998-01-01

    A binary Lennard–Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function...

  8. Dielectric relaxation of binary polar liquid mixture measured in ...

    Indian Academy of Sciences (India)

    The dielectric relaxation times τjk's and dipole moments µjk's of the binary. (jk) polar liquid mixture of N,N-dimethyl acetamide (DMA) and acetone (Ac) dissolved in benzene (i) are estimated from the measured real σijk and imaginary σijk parts of complex high frequency conductivity σ∗ ijk of the solution for different weight ...

  9. Ultrasonic study of molecular interaction in binary liquid mixtures at ...

    Indian Academy of Sciences (India)

    physics pp. 695–701. Ultrasonic study of molecular interaction in binary liquid mixtures at 30 о. C. A ALI and A K NAIN. Department of Chemistry, Jamia Millia ... The variation of these parameters with composition of the mixture helps ... AR grade, 99.5 and 99.0%, respectively) were purified by standard procedure [11]. The.

  10. Liquid-liquid equilibria for binary and ternary polymer solutions with PC-SAFT

    DEFF Research Database (Denmark)

    Lindvig, Thomas; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2004-01-01

    are used for investigating the correlative and predictive capabilities of the thermodynamic model PC-SAFT. The investigation shows that the model correlates well experimental LLE data for binary as well as ternary systems but further predicts the behavior of the ternary systems with reasonably good......Two algorithms for evaluating liquid-liquid equilibria (LLE) for binary and ternary polymer solutions are presented. The binary algorithm provides the temperature versus concentration cloud-point curve at fixed pressure, whereas the ternary algorithm provides component 1 versus component 2...

  11. Hopping in a supercooled binary Lennard-Jones liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    1998-01-01

    A binary Lennard–Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function......", as often argued, and that the system has a single-peaked distribution of hopping-distances centered around the characteristic intermolecular distance....

  12. Flash-Point prediction for binary partially miscible aqueous-organic mixtures

    OpenAIRE

    Liaw, Horng-Jang; Chen, Chien Tsun; Gerbaud, Vincent

    2008-01-01

    Flash point is the most important variable used to characterize fire and explosion hazard of liquids. Herein, partially miscible mixtures are presented within the context of liquid-liquid extraction processes and heterogeneous distillation processes. This paper describes development of a model for predicting the flash point of binary partially miscible mixtures of aqueous-organic system. To confirm the predictive efficiency of the derived flash points, the model was verified by comparing the ...

  13. Measurement of chemical diffusion coefficients in liquid binary alloys

    International Nuclear Information System (INIS)

    Keita, M.; Steinemann, S.; Kuenzi, H.U.

    1976-01-01

    New measurements of the chemical diffusion coefficient in liquid binary alloys are presented. The wellknown geometry of the 'capillary-reservoir' is used and the concentration is obtained from a resistivity measurement. The method allows to follow continuously the diffusion process in the liquid state. A precision of at least 10% in the diffusion coefficient is obtained with a reproductibility better than 5%. The systems Hg-In, Al-Sn, Al-Si have been studied. Diffusion coefficients are obtained as a function of temperature, concentration, and geometrical factors related to the capillary (diameter, relative orientation of density gradient and gravity). (orig.) [de

  14. Estimation of the viscosities of liquid binary alloys

    Science.gov (United States)

    Wu, Min; Su, Xiang-Yu

    2018-01-01

    As one of the most important physical and chemical properties, viscosity plays a critical role in physics and materials as a key parameter to quantitatively understanding the fluid transport process and reaction kinetics in metallurgical process design. Experimental and theoretical studies on liquid metals are problematic. Today, there are many empirical and semi-empirical models available with which to evaluate the viscosity of liquid metals and alloys. However, the parameter of mixed energy in these models is not easily determined, and most predictive models have been poorly applied. In the present study, a new thermodynamic parameter Δ G is proposed to predict liquid alloy viscosity. The prediction equation depends on basic physical and thermodynamic parameters, namely density, melting temperature, absolute atomic mass, electro-negativity, electron density, molar volume, Pauling radius, and mixing enthalpy. Our results show that the liquid alloy viscosity predicted using the proposed model is closely in line with the experimental values. In addition, if the component radius difference is greater than 0.03 nm at a certain temperature, the atomic size factor has a significant effect on the interaction of the binary liquid metal atoms. The proposed thermodynamic parameter Δ G also facilitates the study of other physical properties of liquid metals.

  15. (Vapor + liquid) equilibria of binary mixtures containing light alcohols and ionic liquids

    International Nuclear Information System (INIS)

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

    2010-01-01

    This work presents (vapor + liquid) equilibrium (VLE) of binary mixtures containing methanol or ethanol and three imidazolium based ionic liquids: 1-butyl-3-methylimidazolium tetrafluoroborate, 1-butyl-3-methylimidazolium acetate, and 1-butyl-3-methylimidazolium hydrogen sulfate. VLE measurements were carried out over the whole range of composition between (283.15 and 298.15) K using a static apparatus. Activity coefficients γ i of these solvents in the ionic liquids have been determined from the VLE data and correlated using the NRTL model. The results show that the NRTL model can be applied successfully with systems containing ionic liquids.

  16. Electrical resistivity of liquid binary and ternary alloys

    International Nuclear Information System (INIS)

    Ornat, M.; Paja, A.

    2011-01-01

    New method of calculation of the electrical resistivity of liquid and amorphous alloys is presented. The method is based on the Morgan-Howson-Saub (MHS) model but the pseudopotentials are replaced by the scattering matrix operators. The Fermi energy is properly determined by the accurate values of the phase shifts. The model depends on a very small number of universal parameters and gives stable results. The calculated values of the resistivity agree well with available experimental data for a substantial number of binary alloys. Moreover, the results for some ternary alloys were also obtained. (orig.)

  17. Acid digestion of organic liquids

    International Nuclear Information System (INIS)

    Partridge, J.A.; Bosuego, G.P.

    1980-10-01

    Laboratory studies on the destruction of liquid organic wastes by acid digestion are discussed. A variety of liquid waste types was tested, including those encountered in the nuclear industry as well as some organic liquids representative of non-nuclear industrial wastes. The liquids tested were vacuum pump oil, tri-n-butyl phosphate (TBP), normal paraffin hydrocarbon solvent (NPH), a mixture of 30 vol% TBP in NPH, carbon tetrachloride (CCl 4 ), trichloroethane, toluene, hexone (methyl isobutyl ketone), a mixture of hexone and NPH, polychlorobiphenyl (PCB), isopropanol, normal-decane, and two waste organic solutions from Hanford radioactive waste tanks. The tests demonstrated that several types of organic liquids can be destroyed by the acid digestion process. 8 figures, 19 tables

  18. Immobilization of organic liquid wastes

    International Nuclear Information System (INIS)

    Greenhalgh, W.O.

    1985-01-01

    This report describes a portland cement immobilization process for the disposal treatment of radioactive organic liquid wastes which would be generated in a a FFTF fuels reprocessing line. An incineration system already on-hand was determined to be too costly to operate for the 100 to 400 gallons per year organic liquid. Organic test liquids were dispersed into an aqueous phosphate liquid using an emulsifier. A total of 109 gallons of potential and radioactive aqueous immiscible organic liquid wastes from Hanford 300 Area operations were solidified with portland cement and disposed of as solid waste during a 3-month test program with in-drum mixers. Waste packing efficiencies varied from 32 to 40% and included pump oils, mineral spirits, and TBP-NPH type solvents

  19. VISCOSITY OF BINARY NON-ELECTROLYTE LIQUID MIXTURES: PREDICTION AND CORRELATION

    Directory of Open Access Journals (Sweden)

    Mirjana Lj. Kijevčanin

    2008-11-01

    Full Text Available The viscosity of 31 binary liquid mixtures containing diverse groups of organic compounds, determined at atmospheric pressure: alcohols, alkanes (cyclo and aliphatic, esters, aromatics, ketones etc., were calculated using two different approaches, correlative (with Teja-Rice and McAllister models and predictive by group contribution models (UNIFAC-VISCO, ASOG-VISCO and Grunberg-Nissan. The obtained results were analysed in terms of the applied approach and model, the structure of the investigated mixtures, the nature of components of the mixtures and the influence of alkyl chain length of the alcohol molecule.

  20. Binary systems solubilities of inorganic and organic compounds

    CERN Document Server

    Stephen, H

    1963-01-01

    Solubilities of Inorganic and Organic Compounds, Volume 1: Binary Systems, Part 1 is part of an approximately 5,500-page manual containing a selection from the International Chemical Literature on the Solubilities of Elements, Inorganic Compounds, Metallo-organic and Organic Compounds in Binary, Ternary and Multi-component Systems. A careful survey of the literature in all languages by a panel of scientists specially appointed for the task by the U.S.S.R. Academy of Sciences, Moscow, has made the compilation of this work possible. The complete English edition in five separately bound volumes w

  1. Transport properties of organic liquids

    CERN Document Server

    Latini, G; Passerini, G

    2006-01-01

    The liquid state is possibly the most difficult and intriguing state of matter to model. Organic liquids are required, mainly as working fluids, in almost all industrial activities and in most appliances (e.g. in air conditioning). Transport properties (namely dynamic viscosity and thermal conductivity) are possibly the most important properties for the design of devices and appliances. The aim of this book is to present both theoretical approaches and the latest experimental advances on the issue, and to merge them into a wider approach. It concentrates on applicability of models.This book is organized into five chapters plus a data collection. The chapters discuss the following topics: the liquid state and some well-know theories able to explain the behaviour of liquids; a rather complete review of models, based on theoretical assumptions and/or upon physical paradigms, to evaluate heat transfer in organic liquids; a review of several well-known semi-empirical methods to predict the thermal conductivity coe...

  2. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

    Energy Technology Data Exchange (ETDEWEB)

    Martínez-Ruiz, F. J.; Blas, F. J., E-mail: felipe@uhu.es [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Física Aplicada, Universidad de Huelva, 21007 Huelva (Spain); Moreno-Ventas Bravo, A. I. [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Geología, Universidad de Huelva, 21007 Huelva (Spain)

    2015-09-14

    We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ{sub 11} = σ{sub 22}, with the same dispersive energy between like species, ϵ{sub 11} = ϵ{sub 22}, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances r{sub c} and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance r{sub c} is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related

  3. (Liquid plus liquid) equilibria of binary polymer solutions using a free-volume UNIQUAC-NRF model

    DEFF Research Database (Denmark)

    Radfarnia, H.R.; Ghotbi, C.; Taghikhani, V.

    2006-01-01

    + liquid) equilibria (LLE) for a number of binary polymer solutions at various temperatures. The values for the binary characteristic energy parameters for the proposed model and the FV-UNIQUAC model along with their average relative deviations from the experimental data were reported. It should be stated...... that the binary polymer solutions studied in this work were considered as monodisperse. The results obtained from the FV-UNIQUAC-NRF model were compared with those obtained from the FV-UNIQUAC model. The results of the proposed model show that the FV-UNIQUAC-NRF model can accurately correlate the experimental...... in predicting the LCST for binary polymer solutions....

  4. Evaporation dynamics and Marangoni number estimation for sessile picoliter liquid drop of binary mixture solution

    OpenAIRE

    Lebedev-Stepanov Peter; Kobelev Alexander; Efimov Sergey

    2016-01-01

    We propose the evaporation model of picoliter sessile drop of binary solvent mixture (with infinitely soluble in each other components) based on Hu and Larson solution for single solvent sessile drop and Raoult law for saturated vapor density of components of binary mixture in wide range of undimensional molar binary concentration of the components. Concentration Marangoni number estimation for such a system is also considered for prediction of liquid flows structure for further applications ...

  5. Investigation of some features of ferroelectric phase transition in a liquid-crystal binary system

    International Nuclear Information System (INIS)

    Sarkissyan, A.Ts.; Baghdasaryan, Z.V.; Vardanyan, K.K.

    2000-01-01

    Investigation of some features of the ferroelectric phase transition in a liquid-crystal binary system is carried out. It is shown that in investigated systems the flexoelectric effects are responsible, in basic, for occurrence of the spontaneous polarization

  6. Thermodynamic Relationship between Enthalpy of Mixing and Excess Entropy in Liquid Binary Alloys

    OpenAIRE

    Tanaka, Toshihiro; Morita, Zen-Ichiro; Gokcen, Nev A.; Iida, Takamichi

    1993-01-01

    A solution model for liquid binary alloys has been derived, based on the free volume theory considering excess volumes of the alloys. Excess entropy and excess Gibbs energy can be evaluated from the present model using values of enthalpy of mixing and excess volume. In addition, the relationship between enthalpy of mixing and excess entropy in liquid binary alloys has been interpreted based on the present model.

  7. Liquid metal–organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Gaillac, Romain; Pullumbi, Pluton; Beyer, Kevin A.; Chapman, Karena W.; Keen, David A.; Bennett, Thomas D.; Coudert, François-Xavier

    2017-10-09

    Metal–organic frameworks (MOFs) are a family of chemically diverse materials, with applications in a wide range of fields, covering engineering, physics, chemistry, biology and medicine. Until recently, research has focused almost entirely on crystalline structures, yet now a clear trend is emerging, shifting the emphasis onto disordered states, including ‘defective by design’ crystals, as well as amorphous phases such as glasses and gels. Here we introduce a strongly associated MOF liquid, obtained by melting a zeolitic imidazolate framework. We combine in situ variable temperature X-ray, ex situ neutron pair distribution function experiments, and first-principles molecular dynamics simulations to study the melting phenomenon and the nature of the liquid obtained. We demonstrate from structural, dynamical, and thermodynamical information that the chemical configuration, coordinative bonding, and porosity of the parent crystalline framework survive upon formation of the MOF liquid.

  8. Evaporation dynamics and Marangoni number estimation for sessile picoliter liquid drop of binary mixture solution

    Directory of Open Access Journals (Sweden)

    Lebedev-Stepanov Peter

    2016-01-01

    Full Text Available We propose the evaporation model of picoliter sessile drop of binary solvent mixture (with infinitely soluble in each other components based on Hu and Larson solution for single solvent sessile drop and Raoult law for saturated vapor density of components of binary mixture in wide range of undimensional molar binary concentration of the components. Concentration Marangoni number estimation for such a system is also considered for prediction of liquid flows structure for further applications in dissipative particle dynamics in binary mixture evaporating drop.

  9. Determination of binary mixture vapor-liquid critical densities from coexisting density data

    Science.gov (United States)

    van Poolen, L. J.; Rainwater, J. C.

    1987-11-01

    Two-phase vapor-liquid equilibrium (VLE) isochores for binary mixtures are defined as the thermodynamic paths along which the overall density and composition are fixed. Data along such isochores are generated from a modified Leung-Griffiths model fit to experimental data for the binary system nitrogen-methane. The behavior of the liquid volume fraction along these isochores is found to be similar to that for pure fluids. Rectilinear diameters for varying overall densities (fixed composition) are seen to be nearly coincident. Straight-line diameters and the critical liquid volume fraction method are utilized to predict critical densities using data near and removed from the critical point. Both methods give acceptable results but the critical liquid volume fraction method is more accurate. A critical literature review of the need for binary mixture critical densities is presented and a proposed experimental procedure is given for the determination of mixture critical densities.

  10. Surface Tension of Nonideal Binary Liquid Mixtures as a Function of Composition.

    Science.gov (United States)

    Nath

    1999-01-01

    The composition dependence of the surface tension of highly nonideal organic-organic and aqueous-organic nonelectrolyte solutions is described, based on the assumption that the surface layer can be treated as a separate phase located between vapor and bulk liquid phases. The Wilson, NRTL, and UNIFAC methods are used for activity coefficients of surface and bulk phases and three techniques for calculation of molar surface areas, based on Paquette areas, Rasmussen areas, and a Langmuir-type approach are tested. Comparisons of the calculated surface tensions with experimental data yield mean absolute errors, in the best case, of less than 2.5% for the systems studied, all of which exhibit highly nonideal behavior. The surface tension predictions are found to be extremely sensitive to the values of the molar surface areas used in the computation. A Langmuir-type adsorption model is formulated to determine the surface mole fractions from a knowledge of the mixture surface tension as a function of bulk composition. A novel procedure is developed to obtain the partial molar surface area of the larger organic component as a function of composition in binary aqueous-organic systems, assuming that the two components are very dissimilar in size, and that deviations in the partial molar surface area of the smaller component (water) from its pure component molar surface area contribute negligibly to the total molar surface area of the mixture. This removes the approximation of equality of partial and pure component molar surface area for the larger organic component. Use of the Langmuir-type approach with partial molar surface areas improves surface tension predictions of highly nonideal aqueous-organic mixtures by 20% over use of pure component molar surface areas. It is an important first step in the development of a thermodynamically consistent theory of surfaces for liquid mixtures based on an accurate determination of the composition dependence of partial molar surface

  11. Diffusion measurements in binary liquid mixtures by Raman spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Hansen, Susanne Brunsgaard; Shapiro, Alexander

    2007-01-01

    It is shown that Raman spectroscopy allows determination of the molar fractions in mixtures subjected to molecular diffusion. Spectra of three binary systems, benzene/n-hexane, benzene/cyclohexane, and benzene/ acetone, were obtained during vertical (exchange) diffusion at several different heights...

  12. PHASE EQUILIBRIA FOR BINARY SYSTEMS CONTAINING IONIC LIQUID WITH WATER OR HYDROCARBONS

    Directory of Open Access Journals (Sweden)

    Dheiver Santos

    2015-12-01

    Full Text Available Abstract In this work, the mutual solubilities of sets of ionic liquids ([CnMIM] [TF2N] (n = 4, 8, 12, [C4PY] [TF2N], [C8MIM] [OTF] and organic compounds (heptane, o-xylene, toluene, or water are investigated. The experimental data measured for these systems were used to adjust the binary interaction parameters between their components for the Non-Random Two Liquid (NRTL model. The results showed that the solubility increased with temperature, with high hygroscopicity (10-1 in terms of mole fraction of the ILs, low interactions with aliphatic hydrocarbons, high interactions with aromatic hydrocarbons and the presence of a lower critical solution temperature (LCST. In addition, this study is the first to show that [C12MIM] [TF2N] is completely soluble in toluene and ortho-xylene between 273.15 and 373.15 K at 1 bar. The average deviations related to the mole fraction between the experimental and calculated values by the NRTL were less than 2.4%.

  13. The liquid organization of volunteer tourism

    DEFF Research Database (Denmark)

    Steele, Jessica; Dredge, Dianne

    2017-01-01

    Drawing from developments in sociology and organizational studies, this paper argues for a new understanding of volunteer tourism as liquid organization. It aims to explore the organization of volunteer tourism using a liquid organization perspective and to better understand the potential...... implications of this liquidity on the responsibility of volunteer tourism organizations to host com- munities. The analysis is based on data collected from 80 volunteer tourism organizations. The findings reveal that the volunteer tourism organizations show characteristics of liquid organiza- tion to varying...... degrees. The significance of the research is to problematize the way in which the institutional characteristics of volunteer tourism are (not) conceptualized in current literature and to introduce liquid organization as a means of reinvigorating debate about responsibility....

  14. The liquid organization of volunteer tourism:

    DEFF Research Database (Denmark)

    Steele, Jessica; Dredge, Dianne

    2017-01-01

    Drawing from developments in sociology and organizational studies, this paper argues for a new understanding of volunteer tourism as liquid organization. It aims to explore the organization of volunteer tourism using a liquid organization perspective and to better understand the potential...... implications of this liquidity on the responsibility of volunteer tourism organizations to host com- munities. The analysis is based on data collected from 80 volunteer tourism organizations. The findings reveal that the volunteer tourism organizations show characteristics of liquid organiza- tion to varying...... degrees. The significance of the research is to problematize the way in which the institutional characteristics of volunteer tourism are (not) conceptualized in current literature and to introduce liquid organization as a means of reinvigorating debate about responsibility....

  15. DETERMINATION OF DIFFUSION COEFFICIENTS OF BINARY LIQUID SYSTEMS

    Directory of Open Access Journals (Sweden)

    Erol İNCE

    2001-03-01

    Full Text Available The diaphragm cell method technique was used to determine the diffusion coefficients of selected binary systems (Cyclopentanol-Acetic acid, Cyclohexanol-Acetic acid and Methylcyclohexanol-Acetic acid. The technique was chosen because of simplicity and accuracy. The stirring rate was 60 rpm. The diaphragm cell was calibrated at 298.15 K by diffusing of 0.1 N KCl solution into distilled water. The experimental diaphragm cell constant (ß was found 0.09293 cm -2 . The temperature of water bath was controlled by a contact thermometer with an accuracy of ± 0.1 °C. The obtained experimental diffusion coefficients for Cyclopentanol-Acetic acid, Cyclohexanol-Acetic acid and Methylcyclohexanol - Acetic acid binary systems were 2.40 x 10 -5 cm 2 /s, 1.16 x 10 -5 cm 2 /s, 3.97 x 10 -5 cm 2 /s, respectively. Furthermore, diffusion coefficients have been estimated by the theoretical methods of Wilke - Chang and Scheibel equations and compared with the experimental results.

  16. Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid

    NARCIS (Netherlands)

    Londono, A.; Jongmans, Mark; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    Isobaric vapor–liquid equilibrium (VLE) data for the binary system monochloroacetic acid + dichloroacetic acid have been measured at 5, 7.5, and 10 kPa. The VLE data measured in this work is thermodynamically consistent according to the Herington area method. The non-ideal behavior in the vapor

  17. A Simple Educational Method for the Measurement of Liquid Binary Diffusivities

    Science.gov (United States)

    Rice, Nicholas P.; de Beer, Martin P.; Williamson, Mark E.

    2014-01-01

    A simple low-cost experiment has been developed for the measurement of the binary diffusion coefficients of liquid substances. The experiment is suitable for demonstrating molecular diffusion to small or large undergraduate classes in chemistry or chemical engineering. Students use a cell phone camera in conjunction with open-source image…

  18. High conductive, long-term durable, anhydrous proton conductive solid-state electrolyte based on a metal-organic framework impregnated with binary ionic liquids: Synthesis, characteristic and effect of anion

    Science.gov (United States)

    Chen, Hui; Han, Shu-Yan; Liu, Rui-Heng; Chen, Teng-Fei; Bi, Kai-Lun; Liang, Jian-Bo; Deng, Yu-Heng; Wan, Chong-Qing

    2018-02-01

    Incorporating ionic liquids (abbreviated as ILs) into porous metal-organic framework (MOF) to obtain ILs@MOF nanocomposites is documented as a feasible method to achieve new type of anhydrous proton conductor with high performance. We newly synthesized a series of ILs with different acid counter anions (R-SO3-) and their ILs@MOF hybrid materials, i.e. SA-EIMS@MIL-101, MSA-EIMS@MIL-101 and PTSA-EIMS@MIL-101 (SA = sulfate acid, MSA = methanesulfonate acid, PTSA = p-toluenesulfonate acid, EIMS = 1-(1-ethyl-3-imidazolium)propane-3-sulfonate). Such hybrid materials displayed as anhydrous proton conduction with long-term durability even heated at 150 °C open to air. σ value of SA-EIMS@MIL-101 is up to 1.89 × 10-3 S cm-1, being in the range of the most conductive MOF-based materials. MOF support exhibited favorable proton transport and long-term retention for ILs. Anion volumes of R-SO3- displayed significant effects on the proton conductivity of such hybrid ILs@MOF materials. The smaller the van der Waals volume of R-SO3- is, the higher the conductivity of ILs@MOF is. This work suggests that the combination of a variety of the incorporated ILs and a MOF framework would afford high proton transport and gives an idea to explore the safe, anhydrous, solid-state electrolyte for high temperature proton exchange membrane fuel cell.

  19. Surface Structures of Binary Mixture of Ionic Liquids.

    Czech Academy of Sciences Publication Activity Database

    Nakajima, K.; Nakanishi, S.; Lísal, Martin; Kimura, K.

    2017-01-01

    Roč. 230, MARCH (2017), s. 542-549 ISSN 0167-7322 R&D Projects: GA ČR(CZ) GA16-12291S Institutional support: RVO:67985858 Keywords : ionic liquids * mixture * surface structure Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.648, year: 2016

  20. Mixing effects in the crystallization of supercooled quantum binary liquids

    Energy Technology Data Exchange (ETDEWEB)

    Kühnel, M.; Kalinin, A. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); Fernández, J. M.; Tejeda, G.; Moreno, E.; Montero, S. [Laboratory of Molecular Fluid Dynamics, Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid (Spain); Tramonto, F.; Galli, D. E. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Nava, M. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano (Switzerland); Grisenti, R. E. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); GSI - Helmholtzzentrum für Schwerionenforschung, Planckstr. 1, 64291 Darmstadt (Germany)

    2015-08-14

    By means of Raman spectroscopy of liquid microjets, we have investigated the crystallization process of supercooled quantum liquid mixtures composed of parahydrogen (pH{sub 2}) or orthodeuterium (oD{sub 2}) diluted with small amounts of neon. We show that the introduction of the Ne impurities affects the crystallization kinetics in terms of a significant reduction of the measured pH{sub 2} and oD{sub 2} crystal growth rates, similarly to what found in our previous work on supercooled pH{sub 2}-oD{sub 2} liquid mixtures [Kühnel et al., Phys. Rev. B 89, 180201(R) (2014)]. Our experimental results, in combination with path-integral simulations of the supercooled liquid mixtures, suggest in particular a correlation between the measured growth rates and the ratio of the effective particle sizes originating from quantum delocalization effects. We further show that the crystalline structure of the mixtures is also affected to a large extent by the presence of the Ne impurities, which likely initiate the freezing process through the formation of Ne-rich crystallites.

  1. Drag of a growing bubble at rectilinear accelerated ascension in pure liquids and binary solutions

    Directory of Open Access Journals (Sweden)

    Ašković Radomir

    2003-01-01

    Full Text Available The problem of predicting the drag coefficient of a growing bubble at rectilinear accelerated ascension in uniformly super­heated pure liquids and in binary solutions with a non-volatile solute at large Reynolds and Peclet numbers is discussed. In the case of pure liquids, the general solution for the drag coefficient of an accelerated growing bubble from its inception at the critical radius and through the surface-tension-, inertia-, and heat-diffusion-controlled regimes is established, as well as some necessary adaptations in the case of binary solutions with a non-volatile solute. Two particular limiting regimes in the case of pure liquids, inertia-controlled and heat-diffusion-controlled regimes, respectively, are analyzed in details, with satisfactory results. .

  2. Experimental vapor-liquid equilibria data for binary mixtures of xylene isomers

    Directory of Open Access Journals (Sweden)

    W.L. Rodrigues

    2005-09-01

    Full Text Available Separation of aromatic C8 compounds by distillation is a difficult task due to the low relative volatilities of the compounds and to the high degree of purity required of the final commercial products. For rigorous simulation and optimization of this separation, the use of a model capable of describing vapor-liquid equilibria accurately is necessary. Nevertheless, experimental data are not available for all binaries at atmospheric pressure. Vapor-liquid equilibria data for binary mixtures were isobarically obtained with a modified Fischer cell at 100.65 kPa. The vapor and liquid phase compositions were analyzed with a gas chromatograph. The methodology was initially tested for cyclo-hexane+n-heptane data; results obtained are similar to other data in the literature. Data for xylene binary mixtures were then obtained, and after testing, were considered to be thermodynamically consistent. Experimental data were regressed with Aspen Plus® 10.1 and binary interaction parameters were reported for the most frequently used activity coefficient models and for the classic mixing rules of two cubic equations of state.

  3. Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO2 + alkanol) binary systems

    International Nuclear Information System (INIS)

    Bejarano, Arturo; Gutierrez, Jorge E.; Araus, Karina A.; Fuente, Juan C. de la

    2011-01-01

    Research highlights: → (Vapor + liquid) equilibria of three (CO 2 + C 5 alcohol) binary systems were measured. → Complementary data are reported at (313, 323 and 333) K and from (2 to 11) MPa. → No liquid immiscibility was observed at the temperatures and pressures studied. → Experimental data were correlated with the PR-EoS and the van de Waals mixing rules. → Correlation results showed relative deviations ≤8 % (liquid) and ≤2 % (vapor). - Abstract: Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO 2 + 3-methyl-2-butanol), (CO 2 + 2-pentanol), and (CO 2 + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO 2 + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions <8% and <2% for the liquid and vapor phase, respectively.

  4. 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.

  5. Assessment and prediction of joint algal toxicity of binary mixtures of graphene and ionic liquids.

    Science.gov (United States)

    Wang, Zhuang; Zhang, Fan; Wang, Se; Peijnenburg, Willie J G M

    2017-10-01

    Graphene and ionic liquids (ILs) released into the environment will interact with each other. So far however, the risks associated with the concurrent exposure of biota to graphene and ILs in the environment have received little attention. The research reported here focused on observing and predicting the joint toxicity effects in the green alga Scenedesmus obliquus exposed to binary mixtures of intrinsic graphene (iG)/graphene oxide (GO) and five ILs of varying anionic and cationic types. The isolated ILs in the binary mixtures were the main contributors to toxicity. The binary GO-IL mixtures resulted in more severe joint toxicity than the binary iG-IL mixtures, irrespective of mixture ratios. The mechanism of the joint toxicity may be associated with the adsorption capability of the graphenes for the ILs, the dispersion stability of the graphenes in aquatic media, and modulation of the binary mixtures-induced oxidative stress. A toxic unit assessment showed that the graphene and IL toxicities were additive at low concentration of the mixtures but antagonistic at high concentration of the mixtures. Predictions made using the concentration addition and independent action models were close to the observed joint toxicities regardless of mixture types and mixture ratios. These findings provide new insights that are of use in the risk assessment of mixtures of engineered nanoparticles and other environmentally relevant contaminants. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Non-linearity parameter of binary liquid mixtures at elevated pressures

    Indian Academy of Sciences (India)

    In the present investigation an attempt in this field has been made and B/A is calculated for four binary liquid mixtures at T = 303.15 K over a wide range of pressure. (ranging from 0.1 to 80 Mpa). In this context, Tong and Dong equation has been used to calculate the B/A values. Scarcity of experimental data and its variation ...

  7. Liquid-ordered phases induced by cholesterol: a compendium of binary phase diagrams.

    Science.gov (United States)

    Marsh, Derek

    2010-03-01

    Mixtures of phospholipids with cholesterol are able to form liquid-ordered phases that are characterised by short-range orientational order and long-range translational disorder. These L(o)-phases are distinct from the liquid-disordered, fluid L(alpha)-phases and the solid-ordered, gel L(beta)-phases that are assumed by the phospholipids alone. The liquid-ordered phase can produce spatially separated in-plane fluid domains, which, in the form of lipid rafts, are thought to act as platforms for signalling and membrane sorting in cells. The areas of domain formation are defined by the regions of phase coexistence in the phase diagrams for the binary mixtures of lipid with cholesterol. In this paper, the available binary phase diagrams of lipid-cholesterol mixtures are all collected together. It is found that there is not complete agreement between different determinations of the phase diagrams for the same binary mixture. This can be attributed to the indirect methods largely used to establish the phase boundaries. Intercomparison of the various data sets allows critical assessment of which phase boundaries are rigorously established from direct evidence for phase coexistence. Copyright 2010 Elsevier B.V. All rights reserved.

  8. Measurement and modeling of high-pressure (vapour + liquid) equilibria of (CO2 + alcohol) binary systems

    International Nuclear Information System (INIS)

    Gutierrez, Jorge E.; Bejarano, Arturo; Fuente, Juan C. de la

    2010-01-01

    An apparatus based on a static-analytic method assembled in this work was utilized to perform high pressure (vapour + liquid) equilibria measurements with uncertainties estimated at 2 + 1-propanol), (CO 2 + 2-methyl-1-propanol), (CO 2 + 3-methyl-1-butanol), and (CO 2 + 1-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 12) MPa. For all the (CO 2 + alcohol) systems, it was visually monitored to insure that there was no liquid immiscibility at the temperatures and pressures studied. The experimental results were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapour + liquid) equilibria compositions were found to be in good agreement with the experimental values with deviations for the mol fractions <0.12 and <0.05 for the liquid and vapour phase, respectively.

  9. Impact of polyethyleneglycol addition on diffusion coefficients in binary ionic liquid electrolytes composed of dicationic ionic liquid and polyethyleneglycol.

    Science.gov (United States)

    Wu, Tzi-Yi; Su, Shyh-Gang; Chiu, Chuen-Lin; Kuo, Chung-Wen; Tung, Yi-Hsuan

    2018-02-01

    We conduct a comparative study of conductivity and diffusion coefficient of two dicationic ionic liquids (3,3'-(octane-1,8-diyl)bis(1-ethyl-3-imidazolium) bis(trifluoromethylsulfonyl)amide ([IMCI][TFSI], S1) and 3,3'-(2,2'-(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(1-ethyl-3-imidazolium) bis(trifluoromethylsulfonyl)amide ([IMOI][TFSI], S2)) at various temperatures. The diffusion coefficients of cation and anion in ionic liquids are determined by using pulse gradient spin-echo nuclear magnetic resonance method. S2 shows lower viscosity, higher conductivity, and higher diffusion coefficient than those of S1. Moreover, the influence of polyethyleneglycol (PEG200, M w  = 200) addition in PEG200/IL binary solutions is investigated. PEG200/S1 binary solutions show lower viscosity, higher conductivity, and higher diffusion coefficient than those of neat S1. The experimental molar conductivity (Λ) of neat IL and PEG200/IL binary solutions is lower than that of the calculated molar conductivity (Λ NMR ) from pulse gradient spin-echo nuclear magnetic resonance method at various temperatures, indicating that not all the diffusion species belong to the ionic conduction. In other words, NMR diffusion measurements comprise charged and paired (without charge) ions. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  10. Liquid-liquid equilibria for binary and ternary systems containing glycols, aromatic hydrocarbons, and water: Experimental measurements and modeling with the CPA EoS

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht

    2006-01-01

    Liquid-liquid equilibrium data of four binary glycol + aromatic hydrocarbon systems and three ternary systems containing water have been measured at atmospheric pressure. The measured systems are monoethylene glycol (MEG) + benzene or toluene, triethylene glycol (TEG) + benzene or toluene, MEG...... + water + benzene, MEG + water + toluene, and TEG + water + toluene. The binary systems are correlated with the Cubic-Plus-Association (CPA) equation of state while the ternary systems are predicted from interaction parameters obtained from the binary systems. Very satisfactory liquid-liquid equilibrium...... correlations are obtained for the binary systems using temperature-independent interaction parameters, while adequate predictions are achieved for multicomponent water + glycol + aromatic hydrocarbons systems when accounting for the solvation between the aromatic hydrocarbons and glycols or water....

  11. Symmetrization of excess Gibbs free energy: A simple model for binary liquid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Castellanos-Suarez, Aly J., E-mail: acastell@ivic.gob.v [Centro de Estudios Interdisciplinarios de la Fisica (CEIF), Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020A (Venezuela, Bolivarian Republic of); Garcia-Sucre, Maximo, E-mail: mgs@ivic.gob.v [Centro de Estudios Interdisciplinarios de la Fisica (CEIF), Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020A (Venezuela, Bolivarian Republic of)

    2011-03-15

    A symmetric expression for the excess Gibbs free energy of liquid binary mixtures is obtained using an appropriate definition for the effective contact fraction. We have identified a mechanism of local segregation as the main cause of the contact fraction variation with the concentration. Starting from this mechanism we develop a simple model for describing binary liquid mixtures. In this model two parameters appear: one adjustable, and the other parameter depending on the first one. Following this procedure we reproduce the experimental data of (liquid + vapor) equilibrium with a degree of accuracy comparable to well-known more elaborated models. The way in which we take into account the effective contacts between molecules allows identifying the compound which may be considered to induce one of the following processes: segregation, anti-segregation and dispersion of the components in the liquid mixture. Finally, the simplicity of the model allows one to obtain only one resulting interaction energy parameter, which makes easier the physical interpretation of the results.

  12. Excess enthalpies and (vapour + liquid) equilibrium data for the binary mixtures of dimethylsulphoxide with ketones

    International Nuclear Information System (INIS)

    Radhamma, M.; Venkatesu, P.; Rao, M.V. Prabhakara; Prasad, D.H.L.

    2007-01-01

    Excess enthalpies (H E ), at ambient pressure and T = 298.15 K, have been measured by using a solution calorimeter for the binary liquid mixtures of dimethyl sulphoxide (DMSO) with ketones, as a function of composition. The ketones chosen in the present investigation were methyl ethyl ketone (MEK), methyl isobutyl ketone (MIBK), and cyclohexanone (CH). The H E values are positive over the entire composition range for the three binary mixtures. Furthermore, the (vapour + liquid) equilibrium (VLE) was measured at 715 Torr for these mixtures, of different compositions, with the help of Swietoslawski-ebulliometer. The experimental temperature-mole fraction (t-x) data were used to compute Wilson parameters and then used to calculate the equilibrium vapour-phase compositions as well as the theoretical points for these binary mixtures. These Wilson parameters are used to calculate activity coefficients (γ) and these in turn to calculate excess Gibbs free energy (G E ). The intermolecular interactions and structural effects were analyzed on the basis of the measured and derived properties

  13. Synthesis and characterization of novel binary organic monotectic and eutectic alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, K.P. [Department of Chemistry, Center of Advanced Study, Banaras Hindu University, Varanasi 221 005 (India); Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Center of Advanced Study, Banaras Hindu University, Varanasi 221 005 (India)

    2012-05-10

    Highlights: Black-Right-Pointing-Pointer The two novel phase diagrams of binary organic systems were studied. Black-Right-Pointing-Pointer The various thermodynamic functions have been calculated. Black-Right-Pointing-Pointer The optical microphotograph of monotectic shows lamellar structure. Black-Right-Pointing-Pointer Growth kinetics of binary materials at different under cooling were studied. Black-Right-Pointing-Pointer The relations between interfacial energies satisfy the Cahn's wetting condition. - Abstract: The phase diagram of biphenyl - 3-hydroxybenzaldehyde (BP-HB) shows the formation of a eutectic with HB-0.935 mole% BP and 4-bromochlorobenzene -m-aminophenol (BCB-AP) show the formation of a monotectic (AP-0.150 mole% BCB) and a eutectic (AP-0.996 mole% BCB). The BCB-AP shows large miscibility gap where the consolute temperature is 12.5 Degree-Sign C above the monotectic horizontal. Growth kinetics of pure components, the eutectics and the monotectic were studied by measuring the rate of movement of the solid-liquid interface which suggests the applicability of Hillig-Turnbull's equation. The thermodynamic functions such as heat of mixing, entropy of fusion, roughness parameter, interfacial energy and excess thermodynamic functions were calculated from the enthalpy of fusion values, determined by the DSC method. The relation between interfacial energies of monotectic system satisfies the Cahn's wetting condition. The optical microphotograph of monotectic shows lamellar structure whereas eutectics show broken lamellar and lamellar pearlite structures.

  14. Experimental determination and prediction of liquid-solid equilibria for binary (methyl palimitate + naphthalene mixture

    Directory of Open Access Journals (Sweden)

    Benziane M.

    2013-07-01

    Full Text Available Solid-liquid equilibria for binary mixtures of {Methyl palmitate (1 + Naphthalene (2} were measured using differential scanning calorimeter (DSC. Simple eutectic behaviours for this system are observed. The experimental results were correlated by means of the NRTL, Wilson, UNIQUAC and ideal models. The root-mean-square deviations of the solubility temperatures for all measured data vary from 0.5477 K (for UNIQUAC model to 3.34K; the deviation depend on the model used. The best solubility correlation was obtained with UNIQUAC model and this observation confirms previous results.

  15. Effect of a marginal inclination on pattern formation in a binary liquid mixture under thermal stress.

    Science.gov (United States)

    Croccolo, Fabrizio; Scheffold, Frank; Vailati, Alberto

    2013-07-05

    Convective motions in a fluid layer are affected by its orientation with respect to the gravitational field. We investigate the long-term stability of a thermally stressed layer of a binary liquid mixture and show that pattern formation is strongly affected by marginal inclinations as small as a few milliradians. At small Rayleigh numbers, the mass transfer is dominated by the induced large scale shear flow, while at larger Rayleigh numbers, it is dominated by solutal convection. At the transition, the balance between the solutal and shear flows gives rise to drifting columnar flows moving in opposite directions along parallel lanes in a superhighway configuration.

  16. Electro-optic and dielectric properties of new binary ferroelectric and antiferroelectric liquid crystalline mixtures

    Czech Academy of Sciences Publication Activity Database

    Fitas, J.; Marzec, M.; Kurp, K.; Żurowska, M.; Tykarska, M.; Bubnov, Alexej

    2017-01-01

    Roč. 44, č. 9 (2017), s. 1468-1476 ISSN 0267-8292 R&D Projects: GA MŠk(CZ) LD14007; GA ČR GA15-02843S Grant - others:EU - ICT(XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : liquid crystals * ferroelectric and antiferroelectric phase * binary mixture * dielectric spectroscopy * switching time * tilt angle Subject RIV: JJ - Other Materials OBOR OECD: Nano-materials (production and properties) Impact factor: 2.661, year: 2016

  17. Chromonic liquid crystalline nematic phase exhibited in binary mixture of two liquid crystals

    Energy Technology Data Exchange (ETDEWEB)

    Govindaiah, T. N., E-mail: tngovi.phy@gmail.com; Sreepad, H. R. [Post-Graduate Department of Physics, Government College (Autonomous), Mandya-571401 (India); Sridhar, K. N.; Sridhara, G. R.; Nagaraja, N. [Government College for Boys, Kolar-563101 (India)

    2015-06-24

    A binary mixture of abietic acid and orthophosphoric acid (H{sub 3}PO{sub 4}) exhibits co-existence of biphasic region of Nematic+Isotropic (N+I), lyotropic Nematic (ND) and Smectic-G (SmG) phases. The mixture exhibits N+I, N and SmG phases at different concentrations and at different temperatures. Mixtures with all concentrations of abietic acid exhibit I→N+I→N→SmG phases sequentially when the specimen is cooled from its isotropic melt. These phases have been characterized by using differential scanning calorimetric, X-ray diffraction, and optical texture studies.

  18. Ammonium conversion in liquid organic fertilisers

    NARCIS (Netherlands)

    Blok, C.; Streminska, M.; Vermeulen, T.

    2017-01-01

    Liquid organic fertilisers allow growers to abandon the use of conventional de novo (mined or synthesised) fertilisers without major technological adaptions to the cultivation system. In prior experiments the conversion by aerobic substrate born bacteria of ammonium into nitrate was plant growth

  19. Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures

    International Nuclear Information System (INIS)

    Dubey, Gyan Prakash; Kumar, Krishan

    2011-01-01

    Highlights: → Thermodynamic study of diethylenetriamine + 2-methyl-1-propanol, +2-propanol or +1-butanol have been made. → Excess molar volumes and isentropic compressibility were determined. → Types of interactions were discussed based on derived properties. - Abstract: Densities, ρ, viscosities, η, and speeds of sound, u, were measured for the binary liquid mixtures containing diethylenetriamine with 2-methyl-1-propanol, 2-propanol and 1-butanol at 293.15, 298.15, 303.15, 308.15 and 313.15 K. From density and speed of sound data, excess molar volumes, V m E and deviations in isentropic compressibility, Δκ s , and speed of sound, Δu have been evaluated. Viscosity data were used to compute deviations in viscosity and excess Gibbs energy of activation of viscous flow ΔG* E at 298.15, 303.15 and 308.15 K. A Redlich-Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speed of sound and viscosity data. The viscosity data have been correlated with the equations of Grunberg-Nissan, Tamura-Kurata, Heric-Brewer and of Hind et al. All the binary systems of the present study have negative values of excess molar volumes and deviations in isentropic compressibility over whole composition range and at all temperatures which indicates strong interactions between the components of binary mixtures.

  20. Binary mixtures of hydrogen-bonded ferroelectric liquid crystals. Thermal span enhancement in smectic X* phase

    Energy Technology Data Exchange (ETDEWEB)

    Sangameswari, Gopal; Prabu, Nataraj Pongali Sathya; Madhu Mohan, Mathukumalli Lakshmi Narayana [Bannari Amman Institute of Technology, Sathyamangalam (India). Liquid Crystal Research Laboratory (LCRL)

    2015-07-01

    Thermotropic hydrogen-bonded ferroelectric binary liquid crystal mixtures comprising of N-carbamyl-l-glutamic acid (CGA) and p-n-alkyloxy benzoic acids (BAO) are investigated. Variation in the molar proportion of X and Y (where X=CGA+5BAO and Y=CGA+9BAO, CGA+10BAO, CGA+11BAO, and CGA+12BAO) comprising of four series yielded 36 binary mixtures. Optical and thermal properties of these mixtures are meticulously studied in the present article. In addition to the traditional phases, a novel smectic ordering namely smectic X* is observed in all the four series. The aim of the investigation is to obtain abundance occurrence of smectic X* with a large thermal span, and hence, the proportions of the binary mixtures are so chosen that the prelude task is accomplished. Optical tilt angle in smectic X* and smectic C* phases is experimentally determined, and a theoretical fit is performed. Phase diagrams of the four series are constructed from the data obtained from the differential scanning calorimetry and correlated with the phases recorded by the polarising optical microscope studies. Thermal stability factor and thermal equilibrium are also premeditated.

  1. Acoustic and Thermodynamic Properties of the Binary Liquid Mixture n-Octane + n-Dodecane

    Science.gov (United States)

    Khasanshin, T. S.; Golubeva, N. V.; Samuilov, V. S.; Shchemelev, A. P.

    2014-01-01

    The velocity of sound in the binary liquid mixture n-octane + n-dodecane has been investigated by the method of direct measurement of the pulse-transmission time in the interval of temperatures 298-433 K and pressures 0.1-100.1 MPa. The maximum measurement error amounts to 0.1%. The density, isobaric expansion coefficient, isobaric and isochoric heat capacities, and isothermal compressibility of a mixture of three compositions have been determined in the intervals of temperatures 298-393 K and pressures 0.1-100 MPa from the data on the velocity of sound. Also, the excess molar volume, the excess isothermal compressibility, and the deviation of the velocity of sound from its value for an ideal liquid have been determined. The coefficients of the Tate equation have been computed in the above temperature interval. A table of thermodynamic properties of the mixture has been presented.

  2. Vapor-Liquid Equilibrium Measurements of the Binary R32+R125 Refrigerant Mixture

    Science.gov (United States)

    Higashi, Yukihiro; Miyake, Takeshi; Fujii, Ken-Ichi

    Vapor-liquid equilibrium (VLE) data of the binary R32+R125 refrigerant mixture including R410A (50mass% R32 + 50mass% R125) were obtained by the circulation-type experimental apparatus with a liquid-bath thermostat. VLE measurements were carried out in the temperatures between 263.15 K and 318.15 K and in the pressures between 505 kPa and 2724 kPa. The experimental uncertainties of temperature, pressure, and composition measurements were estimated to be within 3 mK, 0.1 %, and 0.4 %, respectively. The present data were compared with reported experimental data against the REFPROP 6.01 as well as REFPROP 7.0 calculation results.

  3. Transition Temperatures of Thermotropic Liquid Crystals from the Local Binary Gray Level Cooccurrence Matrix

    Directory of Open Access Journals (Sweden)

    S. Sreehari Sastry

    2012-01-01

    Full Text Available This paper presents a method which combines the statistical analysis with texture structural analysis called Local Binary Gray Level Cooccurrence Matrix (LBGLCM to investigate the phase transition temperatures of thermotropic p,n-alkyloxy benzoic acid (nOBA, n=4,6,8,10 and 12 liquid crystals. Textures of the homeotropically aligned liquid crystal compounds are recorded as a function of temperature using polarizing optical microscope attached to the hot stage and high resolution camera. In this method, second-order statistical parameters (contrast, energy, homogeneity, and correlation are extracted from the LBGLCM of the textures. The changes associatedwiththe values of extracted parameters as a function of temperature are a helpful process to identify the phases and phase transition temperatures of the samples. Results obtained from this method have validity and are in good agreement with the literature.

  4. Ultrasonic absorption and velocity dispersion of binary mixture liquid crystal MBBA/EBBA

    International Nuclear Information System (INIS)

    Choi, K.

    1979-01-01

    The effect of phase transitions and the partial magnetic alignment for liquid crystal molecules on the ultrasonic absorption and velocity dispersion has been investigated. The binary mixture of Shiff base liquid crystals MBBA/EBBA (55:45 mole %) showed anomalous ultrasonic absorption and velocity dispersion at eutectic (Tsub(m) = -20 0 C) and clearing point (Tsub(c) = 50 0 C) at the frequency range of 5 MHz, 10MHz, 15MHz and 30 MHz. The experimental data were analyzed in terms of relaxation time and Fixman theory. The anisotropy of the propagation velocity due to the magnetic alignment was about 0.9% (the deviation between velocities propagating parallel and perpendicular to the applied field). (author)

  5. Steady-state organization of binary mixtures by active impurities

    DEFF Research Database (Denmark)

    Sabra, Mads Christian; Gilhøj, Henriette; Mouritsen, Ole G.

    1998-01-01

    The structural reorganization of a phase-separated binary mixture in the presence of an annealed dilution of active impurities is studied by computer-simulation techniques via a simple two-dimensional lattice-gas model. The impurities, each of which has two internal states with different affinity...

  6. The binary eutectic of NSAIDS and two-phase liquid system for enhanced membrane permeation.

    Science.gov (United States)

    Yuan, Xudong; Capomacchia, A C

    2005-01-01

    The eutectic properties of binary mixtures of some nonsteroidal anti-inflammatory drugs (NSAIDs) with ibuprofen were studied using differential scanning calorimetry (DSC) and phase equilibrium diagrams. The melting points of selected NSAIDs were significantly depressed due to binary eutectic formation with ibuprofen. Ketoprofen and ibuprofen were selected to study the effect of eutectic formation on membrane permeation using Franz diffusion cells and snake skin as the model membrane. The presence of aqueous isopropyl alcohol (IPA) was necessary to completely transform the solid drugs into an oily state at ambient temperature. As much as the 99.6% of ibuprofen and the 88.8% of ketoprofen added were found in the oily phase of the two-phase liquid system formed when aqueous IPA was added to the eutectic mixture. Due to the high drug concentration in the oily phase, and maximum thermodynamic activity, the two-phase liquid system showed enhanced membrane permeation rates of ibuprofen (37.5 microg/cm2/hr) and ketoprofen (33.4 microg/cm2/hr) compared to other reference preparations used.

  7. The precise measurement of the (vapour + liquid) equilibrium properties for (CO2 + isobutane) binary mixtures

    International Nuclear Information System (INIS)

    Nagata, Y.; Mizutani, K.; Miyamoto, H.

    2011-01-01

    Recently, it has been suggested that natural working fluids, such as CO 2 , hydrocarbons, and their mixtures, could provide a long-term alternative to fluorocarbon refrigerants. (Vapour + liquid) equilibrium (VLE) data for these fluids are essential for the development of equations of state, and for industrial process such as separation and refinement. However, there are large inconsistencies among the available literature data for (CO 2 + isobutane) binary mixtures, and therefore provision of reliable and new measurements with expanded uncertainties is required. In this study, we determined precise VLE data using a new re-circulating type apparatus, which was mainly designed by Akico Co., Japan. An equilibrium cell with an inner volume of about 380 cm 3 and two optical windows was used to observe the phase behaviour. The cell had re-circulating loops and expansion loops that were immersed in a thermostatted liquid bath and air bath, respectively. After establishment of a steady state in these loops, the compositions of the samples were measured by a gas chromatograph (GL Science, GC-3200). The VLE data were measured for CO 2 /propane and CO 2 /isobutane binary mixtures within the temperature range from 300 K to 330 K and at pressures up to 7 MPa. These data were compared with the available literature data and with values predicted by thermodynamic property models.

  8. Numerical study of heat and mass transfer during evaporation of a turbulent binary liquid film

    Directory of Open Access Journals (Sweden)

    Khalal Larbi

    2015-01-01

    Full Text Available This paper deals with a computational study for analysing heat and mass exchanges in the evaporation of a turbulent binary liquid film (water-ethanol and water-methanol along a vertical tube. The film is in co-current with the dry air and the tube wall is subjected to a uniform heat flux. The effect of gas-liquid phase coupling, variable thermophysical properties and film vaporization are considered in the analysis. The numerical method applied solves the coupled governing equations together with the boundary and interfacial conditions. The algebraic systems of equations obtained are solved using the Thomas algorithm. The results concern the effects of the inlet liquid Reynolds number and inlet film composition on the intensity of heat and mass transfer. In this study, results obtained show that heat transferred through the latent mode is more pronounced when the concentration of volatile components is higher in the liquid mixture .The comparisons of wall temperature and accumulated mass evaporation rate with the literature results are in good agreement.

  9. Ultrasonic Studies of Molecular Interactions in Organic Binary Liquid Mixtures

    Directory of Open Access Journals (Sweden)

    S. Thirumaran

    2010-01-01

    Full Text Available The ultrasonic velocity, density and viscosity have been measured for the mixtures of 1-alkanols such as 1-propanol and 1-butanol with N-N dimethylformamide (DMF at 303 K. The experimental data have been used to calculate the acoustical parameters namely adiabatic compressibility (β, free length (Lf, free volume (Vf and internal pressure (πi. The excess values of the above parameters are also evaluated and discussed in the light of molecular interaction existing in the mixtures. It is obvious that there is a formation of hydrogen bonding between DMF and 1-alkanols. Further, the addition of DMF causes dissociation of hydrogen bonded structure of 1-alkanols. The evaluated excess values confirm that the molecular association is more pronounced in system-II comparing to the system-I.

  10. Treatment of radioactive organics liquid wastes

    International Nuclear Information System (INIS)

    Morales Galarce, Tania

    1999-01-01

    Because of the danger that radioactive wastes can pose to society and to the environment a viable treatment alternative must be developed to prepare these wastes for final disposal. The waste studied in this work is a liquid organic waste contaminated with the radioisotope tritium. This must be treated and then changed into solid form in a 200 liter container. This study defined an optimum formulation that immobilizes the liquid waste. The organic waste is first submitted to an absorption treatment, with Celite absorbent, which had the best physical characteristics from the point of view of radioactive waste management. Then this was solidified by forming a cement mortar, using a highly resistant local cement, Polpaico 400. Various mixes were tested, with different water/cement, waste/absorbent and absorbed waste/cement ratios, until a mixture that met the quality control requirements was achieved. The optimum mixture obtained has a water/cement ratio of 0.35 (p/p) that is the amount of water needed to make the mixture workable, and minimum water for hydrating the cement; a waste/absorbent ration of 0.5 (v/v), where the organic liquid is totally absorbed, and is incorporated in the solid's crystalline network; and an absorbed waste/cement ratio of 0.8 (p/p), which represents the minimum amount of cement needed to obtain a solid product with the required mechanical resistance. The mixture's components join together with no problem, to produce a good workable mixture. It takes about 10 hours for the mixture to harden. After 14 days, the resulting solid product has a resistance to compression of 52 Kgf/cm2. The formulation contains 22.9% immobilized organic waste, 46.5% cement, 14.3% Celite and 16.3% water. Organic liquid waste can be treated and a solid product obtained, that meets the qualitative and quantitative parameters required for its disposal. (CW)

  11. Bénard instabilities in a binary-liquid layer evaporating into an inert gas.

    Science.gov (United States)

    Machrafi, H; Rednikov, A; Colinet, P; Dauby, P C

    2010-09-01

    A linear stability analysis is performed for a horizontal layer of a binary liquid of which solely the solute evaporates into an inert gas, the latter being assumed to be insoluble in the liquid. In particular, a water-ethanol system in contact with air is considered, with the evaporation of water being neglected (which can be justified for a certain humidity of the air). External constraints on the system are introduced by imposing fixed "ambient" mass fraction and temperature values at a certain effective distance above the free liquid-gas interface. The temperature is the same as at the bottom of the liquid layer, where, besides, a fixed mass fraction of the solute is presumed to be maintained. Proceeding from a (quasi-)stationary reference solution, neutral (monotonic) stability curves are calculated in terms of solutal/thermal Marangoni/Rayleigh numbers as functions of the wavenumber for different values of the ratio of the gas and liquid layer thicknesses. The results are also presented in terms of the critical values of the liquid layer thickness as a function of the thickness of the gas layer. The solutal and thermal Rayleigh and Marangoni effects are compared to one another. For a water-ethanol mixture of 10wt.% ethanol, it appears that the solutal Marangoni effect is by far the most important instability mechanism. Furthermore, its global action can be described within a Pearson-like model, with an appropriately defined Biot number depending on the wavenumber. On the other hand, it is also shown that, if taken into account, water evaporation has only minor quantitative consequences upon the results for this predominant, solutal Marangoni mechanism. Copyright 2010 Elsevier Inc. All rights reserved.

  12. Perturbed-chain SAFT as a versatile tool for thermodynamic modeling of binary mixtures containing isoquinolinium ionic liquids.

    Science.gov (United States)

    Domańska, Urszula; Zawadzki, Maciej; Paduszyński, Kamil; Królikowski, Marek

    2012-07-19

    This contribution reports a recapitulation of our experimental and modeling study on thermodynamic behavior of binary systems containing N-alkylisoquinolinium ionic liquids (ILs) based on bis(trifluoromethylsulfonyl)imide anion, [CniQuin][NTf2] (n = 4,6,8). In particular, we report isothermal vapor-liquid equilibrium (VLE) phase diagrams and molar excess enthalpies of mixing (H(E)) for binary mixtures of [C8iQuin][NTf2] IL with various organic solutes including benzene, toluene, thiophene, pyridine, and butan-1-ol. The measured VLE data represented simple homozeotropic behavior with either negative or positive deviations from ideality, depending on polarity of the solute, temperature, and mole fraction of IL. In turn, the obtained data on H(E) were negative and positive for the mixtures containing aromatic hydrocarbons or thiophene and butan-1-ol, respectively, in the whole range of IL's concentration. All of the measured and some previously published data regarding phase behavior of [C8iQuin][NTf2] IL were analyzed and successfully described in terms of perturbed-chain statistical associating fluid theory (PC-SAFT). The methodology used in this work was described by us previously. In general, the proposed modeling results in VLE diagrams, which are in excellent agreement with experimental data. In the case of H(E), the results obtained are good as well but not so satisfactory such as those for VLE. Nevertheless, they seem to be very promising if one take into account the simplicity of the utilized molecular model against significant complexity of IL-based systems. Thus, we concluded that PC-SAFT equation of state can be viewed as a powerful and robust tool for modeling of systems involving ILs.

  13. Network structure and concentration fluctuations in a series of elemental, binary, and tertiary liquids and glasses.

    Science.gov (United States)

    Soper, Alan K

    2010-10-13

    Liquids and glasses continue to produce a lively debate about the nature of the disordered structure in these materials, and whether it is driven by longer range concentration or density fluctuations. One factor often lacking in these studies is an overview of a wide range of structures from which common features of and differences between materials can be identified. Here I examine the structure of a wide range of chain and network, elemental, binary and tertiary liquids and glasses, using available x-ray and neutron diffraction data and combining them with empirical potential structure refinement. Calculation of the Bhatia-Thornton number-number and concentration-concentration structure factors and distribution functions highlights common structural motifs that run through many of the series. It is found that the greatest structural overlap occurs where the nearest-neighbour and second-neighbour coordination numbers are similar for different materials. As these coordination numbers increase, so the structures undergo a sequence of characteristic changes involving increasingly bent bond angle distributions and increased packing fractions. In these regards liquid and amorphous phosphorus appear to be in a structural class of their own, combining both chain-like and network-like characteristics.

  14. Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

    Energy Technology Data Exchange (ETDEWEB)

    Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y. Mauricio; Vrabec, Jadran, E-mail: jadran.vrabec@uni-paderborn.de [Thermodynamics and Energy Technology, University of Paderborn, 33098 Paderborn (Germany)

    2016-03-28

    Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impact on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values.

  15. Instability of a binary liquid film flowing down a slippery heated plate

    Science.gov (United States)

    Ellaban, E.; Pascal, J. P.; D'Alessio, S. J. D.

    2017-09-01

    In this paper, we study the stability of a binary liquid film flowing down a heated slippery inclined surface. It is assumed that the heating induces concentration differences in the liquid mixture (Soret effect), which together with the differences in temperature affects the surface tension. A mathematical model is constructed by coupling the Navier-Stokes equations governing the flow with equations for the concentration and temperature. A Navier slip condition is applied at the liquid-solid interface. We carry out a linear stability analysis in order to obtain the critical conditions for the onset of instability. We use a Chebyshev spectral collocation method to obtain numerical solutions to the resulting Orr-Sommerfeld-type equations. We also obtain an asymptotic solution that yields an expression for the state of neutral stability of long perturbations as a function of the parameters controlling the problem. A weighted residual approximation is employed to derive a reduced model that is used to analyse the nonlinear effects. Good agreement between the linear stability analysis and nonlinear simulations provided by the weighted residual model is found.

  16. Binary systems solubilities of inorganic and organic compounds, v.1 pt.2

    CERN Document Server

    Stephen, H

    2013-01-01

    Solubilities of Inorganic and Organic Compounds, Volume 1: Binary Systems, Part 1 is part of an approximately 5,500-page manual containing a selection from the International Chemical Literature on the Solubilities of Elements, Inorganic Compounds, Metallo-organic and Organic Compounds in Binary, Ternary and Multi-component Systems. A careful survey of the literature in all languages by a panel of scientists specially appointed for the task by the U.S.S.R. Academy of Sciences, Moscow, has made the compilation of this work possible. The complete English edition in five separately bound volumes w

  17. Acoustic and thermodynamic properties of the binary liquid system n-dodecane+ n-hexadecane

    Science.gov (United States)

    Khasanshin, T. S.; Samuilov, V. S.; Shchemelev, A. P.; Mosbach, F. M.

    2010-11-01

    By the method of direct measurement of the pulse-passage time, the velocity of sound in a binary liquid mixture n-dodecane+ n-hexadecane has been investigated in the temperature range 298-433 K and in the pressure range 0.1-100.1 MPa. The maximum measurement error is 0.1%. Experimental data on the velocity of sound for the investigated mixture have been obtained for the first time. On the basis of the data on the velocity of sound, we have determined the density, the isobaric expansion coefficient, the isobaric and isochoric heat capacities, and the isothermal compressibility coefficient of a mixture of three compositions in the 298-433 K temperature range and in the 0.1-100.1 MPa range of pressures. The coefficients of the Tate equations in the above range of parameters have been calculated. A table of thermodynamic properties of the mixture is presented.

  18. Recommended Vapor-Liquid Equilibrium Data. Part 4. Binary Alkanol-Alkene/Alkyne Systems

    Science.gov (United States)

    Góral, Marian; Bok, Andrzej; Kasprzycka-Gutman, Teresa; Oracz, Paweł

    2006-12-01

    The recommended vapor-liquid equilibrium (VLE) data for binary mixtures of alkanols with alkenes and alkynes have been selected after critical evaluation of all data reported in the open literature up to the end of 2003. The evaluation procedure consisted in combining the thermodynamic consistency tests, data correlation, comparison with enthalpy of mixing data, and comparison of VLE data for various mixtures. The data were correlated with Wilson equation as well as with equation of state appended with chemical term (EoSC) proposed by Góral. The recommended data for 18 systems are presented in the form of individual pages containing tables of data, figures, and auxiliary information. Each page corresponds to one system and contains three isotherms (spaced by at least 15K) and one isobar (preferably at 101.32kPa). Experimental gaps were completed with the predicted data.

  19. Recommended Vapor-Liquid Equilibrium Data. Part 1: Binary n-Alkanol-n-Alkane Systems

    Science.gov (United States)

    Góral, Marian; Oracz, Paweł; Skrzecz, Adam; Bok, Andrzej; Ma̧czyński, Andrzej

    2002-09-01

    The recommended vapor-liquid equilibrium (VLE) data for 39 binary n-alcohol-n-alkane systems have been obtained after critical evaluation of all data (490 data sets) reported in the open literature up to the middle of 2001. The evaluation procedure consisted in combining the thermodynamic consistency tests, data correlation, comparison with enthalpy of mixing data, and comparison of VLE data for various mixtures. The data were correlated with equations based on the local compositions concept as well as with the equation of state appended with a chemical term (EoSC) proposed by Góral. The recommended data are presented in the form of individual pages containing tables of data, figures, and auxiliary information. Each page corresponds to one system and contains three isotherms (spaced by at least 15 K) and one isobar (preferably at 101.32 kPa). Experimental gaps were completed with the predicted data.

  20. Isobaric vapour–liquid equilibrium calculations of binary systems using a neural network

    Directory of Open Access Journals (Sweden)

    MEHMET BILGIN

    2004-09-01

    Full Text Available A model on a feed forward back propagation neural network was employed to calculate the isobaric vapour–liquid equilibrium (VLE data at 40, 66.67, and 101.32 �� 0.02 kPa for the methylcyclohexane – toluene and isopropanol – methyl isobutyl ketone binary systems, which are composed of different chemical structures (cyclic, aromatic, alcohol and ketone and do not show azeotrope behaviour. Half of the experimental VLE data only were assigned into the designed framework as training patterns in order to estimate the VLE data over the whole composition range at the mentioned pressures. The results were compared with the data calculated by the two classical models used in this field, the UNIFAC and Margules models. In all cases the deviations the experimental activity coefficients and those calculated by the neural network model (NNET were lower than those obtained using the Margules and UNIFAC models.

  1. Structure and electrical resistivity of alkali-alkali and lithium-based liquid binary alloys

    International Nuclear Information System (INIS)

    Mishra, A.K.; Mukherjee, K.K.

    1990-01-01

    Harmonic model potential, developed and used for simple metals is applied here to evaluate hardsphere diameters, which ensure minimum interionic pair potential for alkali-alkali (Na-K, Na-Rb, Na-Cs, K-Rb, K-Cs) and lithium-based (Li-Na, Li-Mg, Li-In, Li-Tl) liquid binary alloys as a function of composition for use in the determination of their partial structure factors. These structure factors are then used to calculate electrical resistivities of alloys considered. The computed values of electrical resistivity as a function of composition agree both, in magnitude and gradient reasonably well with experimental values in all cases except in Cs systems, where the disagreement is appreciable. (author)

  2. Treatment and conditioning of radioactive organic liquids

    International Nuclear Information System (INIS)

    1992-07-01

    Liquid organic radioactive wastes are generated from the use of radioisotopes in nuclear research centres and in medical and industrial applications. The volume of these wastes is small by comparison with aqueous radioactive wastes, for example; nevertheless, a strategy for the effective management of these wastes is necessary in order to ensure their safe handling, processing, storage and disposal. A aqueous radioactive wastes may be discharged to the environment after the radioactivity has decayed or been removed. By contrast, organic radioactive wastes require management steps that not only take account of their radioactivity, but also of their chemical content. This is because both the radioactivity and the organic chemical nature can have detrimental effects on health and the environment. Liquid radioactive wastes from these applications typically include vacuum pump oil, lubricating oil and hydraulic fluids, scintillation cocktails from analytical laboratories, solvents from solvent extraction research and uranium refining, and miscellaneous organic solvents. The report describes the factors which should be considered in the development of appropriate strategies for managing this class of wastes from generation to final disposal. Waste sources and characterization, treatment and conditioning processes, packaging, interim storage and the required quality assurance are all discussed. The report is intended to provide guidance to developing Member States which do not have nuclear power generation. A range of processes and procedures is presented, though emphasis is given to simple, easy-to-operate processes requiring less sophisticated and relatively inexpensive equipment. 31 refs, 16 figs, 3 tabs

  3. Solidification of oils and organic liquids

    International Nuclear Information System (INIS)

    Clark, D.E.; Colombo, P.; Neilson, R.M. Jr.

    1982-07-01

    The suitability of selected solidification media for application in the disposal of low-level oil and other organic liquid wastes has been investigated. In the past, these low-level wastes (LLWs) have commonly been immobilized by sorption onto solid absorbents such as vermiculite or diatomaceous earth. Evolving regulations regarding the disposal of these materials encourage solidification. Solidification media which were studied include Portland type I cement; vermiculite plus Portland type I cement; Nuclear Technology Corporation's Nutek 380-cement process; emulsifier, Portland type I cement-sodium silicate; Delaware Custom Materiel's cement process; and the US Gypsum Company's Envirostone process. Waste forms have been evaluated as to their ability to reliably produce free standing monolithic solids which are homogeneous (macroscopically), contain < 1% free standing liquids by volume and pass a water immersion test. Solidified waste form specimens were also subjected to vibratory shock testing and flame testing. Simulated oil wastes can be solidified to acceptable solid specimens having volumetric waste loadings of less than 40 volume-%. However, simulated organic liquid wastes could not be solidified into acceptable waste forms above a volumetric loading factor of about 10 volume-% using the solidification agents studied

  4. How Is the Freezing Point of a Binary Mixture of Liquids Related to the Composition? A Guided Inquiry Experiment

    Science.gov (United States)

    Hunnicutt, Sally S.; Grushow, Alexander; Whitnell, Rob

    2017-01-01

    The principles of process-oriented guided inquiry learning (POGIL) are applied to a binary solid-liquid mixtures experiment. Over the course of two learning cycles, students predict, measure, and model the phase diagram of a mixture of fatty acids. The enthalpy of fusion of each fatty acid is determined from the results. This guided inquiry…

  5. Solid–liquid equilibria for binary and ternary systems with the Cubic-Plus-Association (CPA) equation of state

    DEFF Research Database (Denmark)

    Fettouhi, André; Thomsen, Kaj

    2010-01-01

    A systematic investigation of the CPA model's performance within solid-liquid equilibria (SLE) in binary mixtures (methane + ethane, methane + heptane, methane + benzene, methane + CO2, ethane + heptane, ethane + CO2, 1-propanol + 1,4-dioxane, ethanol + water, 2-propanol + water) is presented. Th...

  6. (Liquid + liquid) equilibria in ternary aqueous mixtures of phosphoric acid with organic solvents at T = 298.2 K

    Energy Technology Data Exchange (ETDEWEB)

    Ghanadzadeh, H., E-mail: hggilani@guilan.ac.i [Department of Chemistry, Faculty of Science, University of Guilan, Rasht (Iran, Islamic Republic of); Department of Chemical Engineering, University of Guilan, Rasht (Iran, Islamic Republic of); Ghanadzadeh, A., E-mail: aggilani@guilan.ac.i [Department of Chemistry, Faculty of Science, University of Guilan, Rasht (Iran, Islamic Republic of); Aghajani, Z.; Abbasnejad, S.; Shekarsaraee, S. [Department of Chemistry, Faculty of Science, University of Guilan, Rasht (Iran, Islamic Republic of)

    2010-06-15

    (Liquid + liquid) equilibrium (LLE) data for the ternary mixtures of left bracewater (1) + phosphoric acid (2) + organic solvents (3)right brace were determined at T = 298.2 K and atmospheric pressure. The organic solvents were cyclohexane, 2-methyl-2-butanol (tert-amyl alcohol), and isobutyl acetate. All the investigated systems exhibit Type-1 behaviour of LLE. The immiscibility region was found to be larger for the (water + phosphoric acid + cyclohexane) ternary system. The experimental LLE results were correlated with the NRTL model, and the binary interaction parameters were obtained. The reliability of the experimental tie-line results was tested through the Othmer-Tobias and Bachman correlation equations. Distribution coefficients and separation factors were evaluated over the immiscibility regions and a comparison of the extracting capabilities of the solvents was made with respect to these factors. The experimental results indicate the superiority of cyclohexane as the preferred solvent for the extraction of phosphoric acid from its aqueous solutions.

  7. (Liquid + liquid) equilibria in ternary aqueous mixtures of phosphoric acid with organic solvents at T = 298.2 K

    International Nuclear Information System (INIS)

    Ghanadzadeh, H.; Ghanadzadeh, A.; Aghajani, Z.; Abbasnejad, S.; Shekarsaraee, S.

    2010-01-01

    (Liquid + liquid) equilibrium (LLE) data for the ternary mixtures of {water (1) + phosphoric acid (2) + organic solvents (3)} were determined at T = 298.2 K and atmospheric pressure. The organic solvents were cyclohexane, 2-methyl-2-butanol (tert-amyl alcohol), and isobutyl acetate. All the investigated systems exhibit Type-1 behaviour of LLE. The immiscibility region was found to be larger for the (water + phosphoric acid + cyclohexane) ternary system. The experimental LLE results were correlated with the NRTL model, and the binary interaction parameters were obtained. The reliability of the experimental tie-line results was tested through the Othmer-Tobias and Bachman correlation equations. Distribution coefficients and separation factors were evaluated over the immiscibility regions and a comparison of the extracting capabilities of the solvents was made with respect to these factors. The experimental results indicate the superiority of cyclohexane as the preferred solvent for the extraction of phosphoric acid from its aqueous solutions.

  8. Ionic pairing in binary liquids of charged hard spheres with non-additive diameters

    International Nuclear Information System (INIS)

    Pastore, G.; Giaquinta, P.V.; Thakur, J.S.; Tosi, M.P.

    1985-07-01

    We examine types of short range order that arise in binary liquids from a combination of Coulombic interactions and non-additivity of excluded volumes, the initial motivation being observations of complex formation by hydrated ions in concentrated aqueous solutions. The model is a fluid of charged hard spheres with contact distances σsub(+-)not=1/2(σsub(++)+σsub(--)), its structural functions being evaluated in the mean spherical approximation and in the hypernetted chain approximation. Cation-anion pairing is clearly seen in the calculated structural functions for negative deviations from additivity (σsub(+-) σsub(++)=σsub(--)) favour long-wavelength concentration fluctuations and demixing in a neutral mixture: these are suppressed by Coulombic interactions in favour of microscopic intermixing of the two species in the local liquid structure, up to like-ion pairing. Contact is made with diffraction from concentrated aqueous solutions of cadmium sulphate and other instances of possible applicability of the model are pointed out. (author)

  9. Gels and lyotropic liquid crystals: using an imidazolium-based catanionic surfactant in binary solvents.

    Science.gov (United States)

    Cheng, Ni; Hu, Qiongzheng; Bi, Yanhui; Xu, Wenwen; Gong, Yanjun; Yu, Li

    2014-08-05

    The self-assembly behavior of an imidazolium-based catanionic surfactant, 1-butyl-3-methylimidazolium dodecylsulfate ([C4mim][C12H25SO4]), was investigated in water-ethylammonium nitrate (EAN) mixed solvents with different volume ratios. It is particular interesting that this simple surfactant could not only form lyotropic liquid crystals (LLC) with multimesophases, i.e., normal hexagonal (H1), lamellar liquid crystal (Lα), and reverse bicontinuous cubic phase (V2), in the water-rich environment but also act as an efficient low-molecular-weight gelator (LMWG) which gelated EAN-abundant binary media in a broad concentration range. The peculiar nanodisk cluster morphology of gels composed of similar bilayer units was first observed. FT-IR spectra and density functional theory (DFT) calculations reveal that strong H bonding and electrostatic interactions between EAN and the headgroups of [C4mim][C12H25SO4] are primarily responsible for gelation. The self-assembled gels displayed excellent mechanical strength and a thermoreversible sol-gel transition. It is for the first time that a rich variety of controllable ordered aggregates could be observed only by simply modulating the concentration of a single imidazolium-based catanionic surfactant or the ratio of mixed solvents. This environmentally friendly system is expected to have broad applications in various fields, such as materials science, drug delivery systems, and supramolecular chemistry.

  10. Synthesis of silver nanocubes in a hydrophobic binary organic solvent.

    Energy Technology Data Exchange (ETDEWEB)

    Peng, S.; Sun, Y. (Center for Nanoscale Materials)

    2010-01-01

    Synthesis of metal nanoparticles with controlled shapes in hydrophobic solvents is challenging because homogeneous nucleation with high rate in these solvents is favorable for the formation of multiply twinned (MT) nanoparticles with spherical morphology. In this work, we report an inhomogeneous nucleation strategy in a binary hydrophobic solvent mediated by dimethyldistearylammonium chloride (DDAC), resulting in the coexistence of single-crystalline Ag polyhedrons and MT Ag quasi-spheres at the beginning of the reaction. In the consequent step, the MT Ag nanoparticles are selectively etched and dissolved through oxidation by NO{sub 3}{sup -} ions (from the Ag precursor, AgNO{sub 3}) with the assistance of Cl{sup -} ions (from DDAC). The dissolved Ag species are then reduced and deposited on the more stable single-crystalline polyhedrons to form Ag nanocubes. Synergy of the oxidative etching of MT particles and growth of single-crystalline particles leads to Ag nanocubes with high purity when the ripening time is long enough. For example, refluxing a mixing solvent of octyl ether and oleylamine containing AgNO{sub 3} (0.02 M) and DDAC (0.03 M) at 260 C for 1 h results in Ag nanocubes with an average edge length of 34 nm and a purity higher than 95%.

  11. Activist Research and Organizing: Blurring the Boundaries, Challenging the Binaries

    Science.gov (United States)

    Choudry, Aziz

    2014-01-01

    This article draws from ongoing research into the practices and processes of activist researchers. It discusses social relations of knowledge production located outside of academia with/in social movement milieus. Focusing on the politics of research in people's organizations and social movement organizations in the Philippines, it builds on…

  12. Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO{sub 2} + alkanol) binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Bejarano, Arturo; Gutierrez, Jorge E. [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Araus, Karina A. [Departamento de Ingenieria Quimica y Bioprocesos, Pontificia Universidad Catolica de Chile, Avda. Vicuna Mackenna 4860, Macul, Santiago (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

    2011-05-15

    Research highlights: (Vapor + liquid) equilibria of three (CO{sub 2} + C{sub 5} alcohol) binary systems were measured. Complementary data are reported at (313, 323 and 333) K and from (2 to 11) MPa. No liquid immiscibility was observed at the temperatures and pressures studied. Experimental data were correlated with the PR-EoS and the van de Waals mixing rules. Correlation results showed relative deviations {<=}8 % (liquid) and {<=}2 % (vapor). - Abstract: Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO{sub 2} + 3-methyl-2-butanol), (CO{sub 2} + 2-pentanol), and (CO{sub 2} + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO{sub 2} + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions <8% and <2% for the liquid and vapor phase, respectively.

  13. Holographic binary grating liquid crystal cells fabricated by one-step exposure of photocrosslinkable polymer liquid crystalline alignment substrates to a polarization interference ultraviolet beam.

    Science.gov (United States)

    Kawai, Kotaro; Sasaki, Tomoyuki; Noda, Kohei; Sakamoto, Moritsugu; Kawatsuki, Nobuhiro; Ono, Hiroshi

    2015-07-01

    Holographic binary grating liquid crystal (LC) cells, in which the optical anisotropy was rectangularly modulated even as the grating was fabricated using holographic exposure, were fabricated by one-step polarization holographic exposure of an empty glass cell, the interior of which was coated with a photocrosslinkable polymer LC (PCLC). The present study is of great significance in that three types of holographic binary grating LC cells containing twisted alignments can be fabricated by simultaneous exposure of two PCLC substrates to the UV interference beams, which are sinusoidally modulated. The polarization conversion properties of the diffracted beams are explained well by theoretical analysis based on Jones calculus.

  14. Effect of Blend Composition on Binary Organic Solar Cells Using a Low Band Gap Polymer.

    Science.gov (United States)

    Wright, Matthew; Lin, Rui; Tayebjee, Murad J Y; Yang, Xiaohan; Veettil, Binesh Puthen; Wen, Xiaoming; Uddin, Ashraf

    2015-03-01

    This report investigates the influence of the solution blend composition of binary bulk heterojunction organic solar cells composed of poly(2,1,3-benzothiadiazole-4,7-diyl[4,4-bis(2-ethylhexyl)-4H- cyclopenta[2,1-b:3,4-b'dithiophene-2,6-diy

  15. Phase equilibria study of the binary systems (N-butyl-3-methylpyridinium tosylate ionic liquid + an alcohol)

    International Nuclear Information System (INIS)

    Domanska, Urszula; Krolikowski, Marek; Paduszynski, Kamil

    2009-01-01

    Isothermal (vapour + liquid) equilibrium data, (VLE) have been measured by an ebulliometric method for the binary mixtures of ionic liquid (IL) {N-butyl-4-methylpyridinium tosylate (p-toluenesulfonate) [BMPy][TOS] + ethanol, 1-propanol, and 1-butanol} at T = 373.15 K over the pressure range from p = 0 kPa to p = 110 kPa. (Solid + liquid) phase equilibria (SLE) for the binary systems: ionic liquid (IL) {N-butyl-4-methylpyridinium tosylate (p-toluenesulfonate) [BMPy][TOS] + ethanol and 1-propanol} have been determined at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from (320 to 390) K. For the binary systems containing alcohol, it was noticed that with increasing chain length of alcohol vapour pressure of the mixture and the solubility of the IL decreases. Well-known Wilson, NRTL, and UNIQUAC equations have been used to correlate simultaneously the experimental VLE and SLE data sets with the same parameters. The excess molar Gibbs free energy, G E function in general was negative in all systems at high temperature (VLE) and positive at low temperatures (SLE).

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

    Science.gov (United States)

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

    2013-10-10

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

  17. Characterization of radioactive organic liquid wastes

    International Nuclear Information System (INIS)

    Hernandez A, I.; Monroy G, F.; Quintero P, E.; Lopez A, E.; Duarte A, C.

    2014-10-01

    With the purpose of defining the treatment and more appropriate conditioning of radioactive organic liquid wastes, generated in medical establishments and research centers of the country (Mexico) and stored in drums of 208 L is necessary to characterize them. This work presents the physical-chemistry and radiological characterization of these wastes. The samples of 36 drums are presented, whose registrations report the presence of H-3, C-14 and S-35. The following physiochemical parameters of each sample were evaluated: ph, conductivity, density and viscosity; and analyzed by means of gamma spectrometry and liquid scintillation, in order to determine those contained radionuclides in the same wastes and their activities. Our results show the presence of H-3 (61%), C-14 (13%) and Na-22 (11%) and in some drums low concentrations of Co-60 (5.5%). In the case of the registered drums with S-35 (8.3%) does not exist presence of radioactive material, so they can be liberated without restriction as conventional chemical wastes. The present activities in these wastes vary among 5.6 and 2312.6 B g/g, their ph between 2 and 13, the conductivities between 0.005 and 15 m S, the densities among 1.05 and 1.14, and the viscosities between 1.1 and 39 MPa. (Author)

  18. Isobaric (vapor + liquid) equilibria of the binary system maleic anhydride and diethyl phthalate at p = (2.67, 5.33, and 8.00) kPa

    Energy Technology Data Exchange (ETDEWEB)

    Xu Wei [Department of Chemistry, Institute of Science, Tianjin University, Tianjin 300072 (China); Liu Zhihua [Department of Chemistry, Institute of Science, Tianjin University, Tianjin 300072 (China); Tian Yiling [Department of Chemistry, Institute of Science, Tianjin University, Tianjin 300072 (China)]. E-mail: sdwfliu@yahoo.com.cn; Zhu Rongjiao [Department of Chemistry, Institute of Science, Tianjin University, Tianjin 300072 (China)

    2006-11-15

    Saturated vapor pressures of pure diethyl phthalate were measured with the ebulliometer. And isobaric (vapor + liquid) equilibrium data for the binary system (maleic anhydride + diethyl phthalate) at p = (2.67, 5.33, and 8.00) kPa were determined using the ebulliometric method. The parameters of the NRTL model for the binary system were obtained by calculating equilibrium compositions of the liquid and vapor phase with the experimental equilibrium temperatures, pressures and feed compositions. Moreover (vapor + liquid) equilibrium data for the binary system were predicted by use of the UNIFAC model. Predicted results were compared with those from the ebulliometric method, and showed good agreement.

  19. Simulation of the (vapor + liquid) equilibria of binary mixtures of benzene, cyclohexane, and hydrogen

    International Nuclear Information System (INIS)

    Carrero-Mantilla, J.

    2008-01-01

    Molecular simulations of the (vapor + liquid) equilibria (VLE) for benzene, cyclohexane, and (benzene + hydrogen) and (cyclohexane + hydrogen) were carried out using the Gibbs-ensemble Monte Carlo method with configurational bias. The Buckingham exponential six (exp-6) potential was used for the site-site interactions with no binary interaction parameters; benzene and cyclohexane were described with six interaction sites, and hydrogen with a single site. Simulation results, density, pressure, and vaporization enthalpy for benzene and cyclohexane were in reasonable agreement with experimental data, but critical pressures obtained from extrapolation of the VLE results did not match the experimental values. For (benzene + hydrogen) and (cyclohexane + hydrogen) mixtures mole fractions from simulation were compared with experimental data, the results for liquid phase were in closer agreement with experiment than the results for vapor phase. For the mixtures, results from the PSRK equation of state (PSRK-EOS) predicted the mole fractions for both phases, also vapor densities from molecular simulation were in close agreement with PSRK-EOS. Additionally, the Henry's law constant (K H ) for hydrogen was calculated in separate simulations using test particle insertions, and qualitative agreement with values from experimental VLE data was obtained. For the (benzene + hydrogen) system K H results from PSRK-EOS were closer to experiment than the results from simulation, but, for the (cyclohexane + hydrogen) system results from both methods had similar deviations from experiment. The results for pure substance and mixtures indicate that the combination of the three molecular models used for benzene, cyclohexane, and hydrogen is valid for the simulation of the VLE of their mixtures

  20. In vitro cytotoxicity of amalgams made with binary Hg-In liquid alloys.

    Science.gov (United States)

    Nakajima, H; Wataha, J C; Rockwell, L C; Okabe, T

    1997-05-01

    Mercury vapor release from amalgams during setting significantly decreases when the amalgams are prepared with binary Hg-In liquid alloys. The objective of this study was to compare the cytotoxicity of amalgams made with experimental Hg-In alloys with that of amalgam without In and a commercial In-containing amalgam. Amalgam specimens were prepared by triturating a high-Cu alloy powder (Tytin, Kerr) with pure Hg or Hg-In liquid alloy containing 5, 20 or 50% In and also by triturating an In-containing high-copper alloy powder (Indiloy, Shofu) with pure Hg. After the specimens were aged for 2 wk, a cylindrical specimen of each amalgam was immersed consecutively in cell culture medium for 0-8, 8-48 and 48-72 h. The cytotoxicity of the extracts was determined by placing them in contact with Balb/c 3T3 mouse fibroblasts for 24 h, after which the succinic dehydrogenase (SDH) activity was measured and expressed as a percentage of the Teflon negative controls. The results were statistically compared using ANOVA and Tukey's test (alpha = 0.05). The concentration of elements released into the extracts was determined by atomic absorption spectrophotometry and evaluated by Kruskal-Wallis and nonparametric multiple comparisons. For the 0-8 h and 8-48 h intervals, the 20% In amalgam was significantly (p amalgams, and not different from the Teflon control. Results for the other amalgams were only slightly depressed compared to the Teflon control. For the 48-72 h interval, all amalgams were essentially no different from the control. Copper was the element dominantly released into the medium from all the amalgams tested. For amalgam tested after aging, alloying indium to mercury did not deleteriously affect the cytotoxicity of the resultant amalgam compared to the amalgam without indium.

  1. Visualization of residual organic liquid trapped in aquifers

    International Nuclear Information System (INIS)

    Conrad, S.H.; Wilson, J.L.; Mason, W.R.; Peplinski, W.J.

    1992-01-01

    Organic liquids that are essentially immiscible with water migrate through the subsurface under the influence of capillary, viscous, and buoyancy forces. These liquids originate from the improper disposal of hazardous wastes, and the spills and leaks of petroleum hydrocarbons and solvents. The flow visualization experiments described in this study examined the migration of organic liquids through the saturated zone of aquifers, with a primary focus on the behavior of the residual organic liquid saturation, referring to that portion of the organic liquid that is trapped by capillary forces. Etched glass micromodels were used to visually observe dynamic multiphase displacement processes in pore networks. The resulting fluid distributions were photographed. Pore and blob casts were produced by a technique in which an organic liquid was solidified in place within a sand column at the conclusion of a displacement. The columns were sectioned and examined under optical and scanning electron microscopes. Photomicrographs of these sections show the morphology of the organic phase and its location within the sand matrix. The photographs from both experimental techniques reveal that in the saturated zone large amounts of residual organic liquid are trapped as isolated blobs of microscopic size. The size, shape, and spatial distribution of these blobs of residual organic liquid affect the dissolution of organic liquid into the water phase and the biotransformation of organic components. These processes are of concern for the prediction of pollution migration and the design of aquifer remediation schemes

  2. Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids.

    Science.gov (United States)

    Finotello, Alexia; Bara, Jason E; Narayan, Suguna; Camper, Dean; Noble, Richard D

    2008-02-28

    This study focuses on the solubility behaviors of CO2, CH4, and N2 gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][Tf2N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C2mim][BF4]) at 40 degrees C and low pressures (approximately 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % [C2mim][BF4] in [C2mim][Tf2N]. Results show that regular solution theory (RST) can be used to describe the gas solubility and selectivity behaviors in RTIL mixtures using an average mixture solubility parameter or an average measured mixture molar volume. Interestingly, the solubility selectivity, defined as the ratio of gas mole fractions in the RTIL mixture, of CO2 with N2 or CH4 in pure [C2mim][BF4] can be enhanced by adding 5 mol % [C2mim][Tf2N].

  3. Densities and derived thermodynamic properties of binary (alkanol + boldine) mixtures in the compressed liquid region

    International Nuclear Information System (INIS)

    Durán-Zenteno, Moisés S.; Pérez-López, Hugo I.; Galicia-Luna, Luis A.; Elizalde-Solis, Octavio

    2012-01-01

    Highlights: ► We measured densities for {alkanol (ethanol or 1-propanol) + boldine} mixtures. ► Liquid densities are reported in the ranges of (1 to 20) MPa and (313 to 363) K. ► Thermodynamic derived properties were calculated using an empirical correlation. ► Extrapolated densities at atmospheric pressure agree with the literature data. - Abstract: In this work, densities of two binary systems of {alkanol (ethanol and 1-propanol) + boldine} are measured at temperatures from (313 to 363) K and pressures up to 20 MPa using an Anton Paar vibrating tube densimeter. Each (alkanol + boldine) system was prepared at five diluted compositions with respect to the alkaloid. These are (x 2 = 0.0012, 0.0074, 0.0136, 0.0196, 0.0267) and (x 2 = 0.0018, 0.0046, 0.0077, 0.0112, 0.0142) mixed in ethanol and 1-propanol, respectively. Experimental densities are correlated using an empirical 6-parameter equation with deviations within 0.04%. Extrapolated densities at atmospheric pressure agree with the literature data. Isobaric expansivity, isothermal compressibility, thermal pressure coefficient, and internal pressure have been calculated.

  4. Correlation of Vapor-Liquid Equilibria for Commonly Used Binary Systems in Supercritical Fluid Extraction Processes

    Directory of Open Access Journals (Sweden)

    Saeid Atashrouz

    2013-10-01

    Full Text Available In this paper, a comprehensive mathematical model is developed based on the Feed-ForwardBack Propagation Artificial Neural Network (FFBP-ANN. The model is employed for thecalculation of Vapor Liquid Equilibria (VLE of four CO2-containing binary mixtures. Themixtures include CO2 - Tertpentanol was investigated at the temperature range from 313.14 to343.15 K. The following mixtures including CO2 - Isobutanol at 313.2 to 353.2 K, CO2 - methylacetate at 308.15 to 328.15 K and CO2 - diisopropyl ether at 265.15 to 333.15 K wereinvestigated as well. The related experimental data of open literature have been used to constructthe model. The results confirm that there is a reasonable conformity between the predicted valuesand the experimental data. Additionally, the ability of the ANN model is examined by comparison with the conventional thermodynamic models and ANN model predicted VLE datawith more accuracy.

  5. Recommended Vapor-Liquid Equilibrium Data. Part 2: Binary Alkanol-Alkane Systems

    Science.gov (United States)

    Góral, Marian; Oracz, Paweł; Skrzecz, Adam; Bok, Andrzej; Ma̧czyński, Andrzej

    2003-12-01

    The recommended vapor-liquid equilibrium (VLE) data for 36 binary systems involving primary, secondary, and tertiary alcohols with n-alkanes and isoalkanes [with the exception of 1-alkanols-n-alkane systems, which were presented in Part 1 of this series—J. Phys. Chem. Ref. Data 31(3), 702 (2002)] have been obtained after critical evaluation of all data (744 data sets) reported in the open literature up to the middle of 2002. The evaluation procedure consisted in combining the thermodynamic consistency tests, data correlation, comparison with enthalpy of mixing data, and comparison of VLE data for various mixtures. The data were correlated with equations based on local compositions concept as well as with equation of state appended with chemical term (EoSC) proposed by Góral. The recommended data are presented in the form of sheets containing tables of data, figures and auxiliary information. Each sheet corresponds to one system and contains three isotherms (spaced by at least 15 K) and one isobar (preferably at 101.32 kPa). Experimental gaps were completed with the predicted data.

  6. The binary (solid + liquid) phase diagrams of (caprylic or capric acid) + (1-octanol or 1-decanol)

    International Nuclear Information System (INIS)

    Carareto, Natália D.D.; Castagnaro, Thamires; Costa, Mariana C.; Meirelles, Antonio J.A.

    2014-01-01

    Highlights: • SLE of mixtures of caprylic acid, (capric acid + 1-octanol), 1-decanol were studied. • Experimental data were obtained through DSC and Stepscan DSC. • Systems presented eutectic and peritectic points. • Liquidus line was modeled using Margules and NRTL models. • Solid phase was modeled using the Slaughter and Doherty approach. - Abstract: In the present study the phase diagrams of four (fatty acid + fatty alcohol) binary mixtures composed of caprylic (C8O2) or capric acid (C10O2) + 1-octanol (C8OH) or 1-decanol (C10OH) were obtained by differential scanning calorimetry (DSC). Eutectic and peritectic reactions occurred in the systems. In standard DSC analyses of the (C8O2 + C10OH) and (C10O2 + C8OH) systems, an exothermic transition occurs in association with the melting of a metastable phase. A Stepscan DSC method was used in order to avoid the formation of this metastable phase during the heating of the mixtures. The approach suggested by Slaughter and Doherty (1995) [24] was used for modeling the solid phase, and the Margules 2-suffix, Margules 3-suffix and NRTL models were applied for calculating the activity coefficients of the liquid phase. The best modeling results were obtained using the Margules-3-suffix with an average deviation between experimental and calculated values ranging from T = (0.3 to 0.9) K

  7. Electrically Tunable Binary-Phase Fresnel Lens Based on Polymer Dispersed Liquid Crystal

    Directory of Open Access Journals (Sweden)

    Hui LI

    2017-08-01

    Full Text Available This is a proposal for a Fresnel lens with an electrically tunable binary-phase made of polymer dispersed liquid crystal (PDLC, which has relatively fast response time and low applied voltage. Simple fabrication is the major advantage of the proposed method. In this study, NOA65 and E7 were utilized with weight ratios of 60 wt.%: 40 wt.%. There was also the utilization of a relatively low intensity UV-light, 0.53 mW/cm2. The duration time of exposure was about 30 hours. The performance improvement of the Fresnel lens resulted from the infiltration of large LC droplet into the PDLC film. The phenomenon of black cross strip patterns could be explained with the use of the electro-hydrodynamics theory. The diffraction efficiency of the proposed lens was from 31.1 % to 41 % with the changes of externally applied voltage. This work presents an effective approach to get relatively complete phase separation in PDLC. The proposed method also provides great potential in developing high performance Fresnel lens.DOI: http://dx.doi.org/10.5755/j01.ms.23.2.16317

  8. Fluorescence resonance energy transfer in a binary organic nanoparticle system and its application.

    Science.gov (United States)

    Wu, Meng; Xu, Xinjun; Wang, Jinshan; Li, Lidong

    2015-04-22

    Fluorescent organic nanoparticles have a much better photostability than molecule-based probes. Here, we report a simple strategy to detect chemicals and biomolecules by a binary nanoparticle system based on fluorescence resonance energy transfer (FRET). Poly(9,9-di-n-octylfluorenyl-2,7-diyl) (PFO, energy donor) and poly [2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV, energy acceptor) are utilized to prepare the binary nanoparticle system through a reprecipitation method. Since the FRET process is strongly distance-dependent, a change in the interparticle distance between the two kinds of nanoparticles after introduction of analytes will alter the FRET efficiency. The response of the binary nanoparticle system to cationic polyelectrolytes was investigated by monitoring the FRET efficiency from PFO to MEH-PPV nanoparticles and the fluorescence color of the nanoparticle solutions. Furthermore, the cationic polyelectrolyte pretreated binary nanoparticle system can be used to detect DNA by desorption of nanoparticles from the polyelectrolyte's chains and the detection concentration can go down to 10(-14) M. Thus, the binary nanoparticle system shows great promise for applications in chemical sensing or biosensing.

  9. Isothermal (vapour + liquid) equilibrium (VLE) for binary mixtures containing diethyl carbonate, phenyl acetate, diphenyl carbonate, or ethyl acetate

    International Nuclear Information System (INIS)

    Ho, Hsiao-Yun; Shu, So-Siou; Wang, San-Jang; Lee, Ming-Jer

    2015-01-01

    Highlights: • Isothermal (vapour + liquid) equilibrium (VLE) data were measured. • Binary mixtures contain ethyl acetate, diethyl carbonate, phenyl acetate, diphenyl carbonate. • No azeotrope formed in the systems investigated. • The VLE data were correlated well with Wilson-HOC, NRTL-HOC, UNIQUAC-HOC models. - Abstract: The isothermal (vapour + liquid) equilibrium (VLE) (P–T–x i –y i ) was determined the binary systems of (ethyl acetate + diethyl carbonate) from T = (373.2 to 453.2) K, (ethyl acetate + phenyl acetate) at T = 373.2 K, and (diethyl carbonate + phenyl acetate) at T = 373.2 K, while the VLE (P–T–x i ) of three diphenyl carbonate-containing binary systems was also determined experimentally at temperatures from (373.2 to 453.2) K. The experimental results show no azeotrope formation and near ideal solution behaviour for each binary system. These new VLE (P–T–x i –y i ) data have been passed by the point, area, and infinite dilution thermodynamic consistency tests. The Wilson-HOC, the NRTL-HOC, and the UNIQUAC-HOC models were applied to correlate the VLE results and the optimal values of the model parameters have been determined through data reduction. Comparable results were obtained from these three models.

  10. Vapour–liquid equilibria of the OPLS (Optimized Potentials for Liquid Simulations model for binary systems of alkanes and alkanes + alcohols

    Directory of Open Access Journals (Sweden)

    SLOBODAN P. SERBANOVIC

    2005-03-01

    Full Text Available The NpT - Gibbs ensemble Monte Carlo computer simulationmethod was applied to predict the vapour–liquid equlibrium (VLE behavior of the binary systems ethane + pentane at 277.55 K and 310.95 K, ethane + hexane at 298.15 K, propane + methanol at 313.15 K and propane + ethanol at 325.15 K and 425.15 K. The optimised potentials for the liquid simulating (OPLS model were used to describe the interactions of alkanes and alcohols. The simulated VLE predictions are compared with experimental data available for the pressure and phase composition of the analyzed binary systems. The agreement between the experimental data and the simulation results is found to be generally good, although slightly better for system in which both components were nonpolar.

  11. Investigation of the organic matter in inactive nuclear tank liquids

    International Nuclear Information System (INIS)

    Schenley, R.L.; Griest, W.H.

    1990-08-01

    Environmental Protection Agency (EPA) methodology for regulatory organics fails to account for the organic matter that is suggested by total organic carbon (TOC) analysis in the Oak Ridge National Laboratory (ORNL) inactive nuclear waste-tank liquids and sludges. Identification and measurement of the total organics are needed to select appropriate waste treatment technologies. An initial investigation was made of the nature of the organics in several waste-tank liquids. This report details the analysis of ORNL wastes

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

    DEFF Research Database (Denmark)

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

    2010-01-01

    are implemented, leading to an entirely predictive method for densities of mixed compressed ionic liquids. Quantitative agreement with experimental data is obtained over wide ranges of conditions. Previously, the method has been applied to solubilities of sparingly soluble gases in ionic liquids and in organic......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....

  13. Thermodynamic Investigation of the Effect of Interface Curvature on the Solid-Liquid Equilibrium and Eutectic Point of Binary Mixtures.

    Science.gov (United States)

    Liu, Fanghui; Zargarzadeh, Leila; Chung, Hyun-Joong; Elliott, Janet A W

    2017-10-12

    Thermodynamic phase behavior is affected by curved interfaces in micro- and nanoscale systems. For example, capillary freezing point depression is associated with the pressure difference between the solid and liquid phases caused by interface curvature. In this study, the thermal, mechanical, and chemical equilibrium conditions are derived for binary solid-liquid equilibrium with a curved solid-liquid interface due to confinement in a capillary. This derivation shows the equivalence of the most general forms of the Gibbs-Thomson and Ostwald-Freundlich equations. As an example, the effect of curvature on solid-liquid equilibrium is explained quantitatively for the water/glycerol system. Considering the effect of a curved solid-liquid interface, a complete solid-liquid phase diagram is developed over a range of concentrations for the water/glycerol system (including the freezing of pure water or precipitation of pure glycerol depending on the concentration of the solution). This phase diagram is compared with the traditional phase diagram in which the assumption of a flat solid-liquid interface is made. We show the extent to which nanoscale interface curvature can affect the composition-dependent freezing and precipitating processes, as well as the change in the eutectic point temperature and concentration with interface curvature. Understanding the effect of curvature on solid-liquid equilibrium in nanoscale capillaries has applications in the food industry, soil science, cryobiology, nanoporous materials, and various nanoscience fields.

  14. The effects of mineral and liquid organic fertilizers on some ...

    African Journals Online (AJOL)

    The economical effect of liquid organic fertilizer on agriculture may be a factor in the extension of its practice in larger areas. The rates of compost required to supply sufficient N requirements might be economically challenging for farmers. Therefore, the organic liquid fertilizers might help in reducing the need of high rates of ...

  15. Development of a New Binary Solvent System Using Ionic Liquids as Additives to Improve Rotenone Extraction Yield from Malaysia Derris sp.

    Directory of Open Access Journals (Sweden)

    Zetty Shafiqa Othman

    2015-01-01

    Full Text Available Rotenone is one of the prominent insecticidal isoflavonoid compounds which can be isolated from the extract of Derris sp. plant. Despite being an effective compound in exterminating pests in a minute concentration, procuring a significant amount of rotenone in the extracts for commercialized biopesticides purposes is a challenge to be attained. Therefore, the objective of this study was to determine the best ionic liquid (IL which gives the highest yield of rotenone. The normal soaking extraction (NSE method was carried out for 24 hrs using five different types of binary solvent systems comprising a combination of acetone and five respective ionic liquids (ILs of (1 [BMIM] Cl; (2 [BMIM] OAc; (3 [BMIM] NTf2; (4 [BMIM] OTf; and (5 [BMPy] Cl. Next, the yield of rotenone, % (w/w, and its concentration (mg/mL in dried roots were quantitatively determined by means of RP-HPLC and TLC. The results showed that a binary solvent system of [BMIM] OTf + acetone was the best solvent system combination as compared to other solvent systems (P<0.05. It contributed to the highest rotenone content of 2.69 ± 0.21% (w/w (4.04 ± 0.34 mg/mL at 14 hrs of exhaustive extraction time. In conclusion, a combination of the ILs with a selective organic solvent has been proven to increase a significant amount of bioactive constituents in the phytochemical extraction process.

  16. Statistical mechanics of binary mixture adsorption in metal-organic frameworks in the osmotic ensemble

    Science.gov (United States)

    Dunne, Lawrence J.; Manos, George

    2018-03-01

    Although crucial for designing separation processes little is known experimentally about multi-component adsorption isotherms in comparison with pure single components. Very few binary mixture adsorption isotherms are to be found in the literature and information about isotherms over a wide range of gas-phase composition and mechanical pressures and temperature is lacking. Here, we present a quasi-one-dimensional statistical mechanical model of binary mixture adsorption in metal-organic frameworks (MOFs) treated exactly by a transfer matrix method in the osmotic ensemble. The experimental parameter space may be very complex and investigations into multi-component mixture adsorption may be guided by theoretical insights. The approach successfully models breathing structural transitions induced by adsorption giving a good account of the shape of adsorption isotherms of CO2 and CH4 adsorption in MIL-53(Al). Binary mixture isotherms and co-adsorption-phase diagrams are also calculated and found to give a good description of the experimental trends in these properties and because of the wide model parameter range which reproduces this behaviour suggests that this is generic to MOFs. Finally, a study is made of the influence of mechanical pressure on the shape of CO2 and CH4 adsorption isotherms in MIL-53(Al). Quite modest mechanical pressures can induce significant changes to isotherm shapes in MOFs with implications for binary mixture separation processes. This article is part of the theme issue `Modern theoretical chemistry'.

  17. Use of diatomaceous to liquid organic wastes adsorption

    International Nuclear Information System (INIS)

    Sanhueza M, Azucena; Padilla S, Ulises

    1999-01-01

    Background: One of the radioactive wastes that the Radioactive Wastes Management Unit must process are organic liquids from external generators and from sections of the Chilean Nuclear Energy Commission (CCHEN). The wastes from external generators contain H 3 and C 14; while the wastes from the CCHEN are contaminated with uranium. The total volume of liquid organic wastes that must be treated is 5 m3. The options recommended for processing these wastes are incineration or the adsorption of the organic liquid by some adsorbing medium and its subsequent immobilization in cement molds. Due to the cost of incineration, the adsorption method was chosen for study. Objective: To find the optimum amount of adsorbent to be saturated with radioactive organic liquid from liquid scintillation and to study immobilization in cement molds. Methodology: Adsorption granulated (1568 Merck) and diatom earth were tested as adsorbent mediums. The adsorbents were mixed in different ratios of volume with the organic liquid. Then the waste was mixed with different water/cement ratios to define the best immobilization conditions. Conclusions: The tests carried out with 2 adsorbents recommended in the literature and available in the CCHEN show that as adsorbent waste ratio decreases, the percentage of liquid adsorbed increases, as expected: a greater volume of adsorbent retains a greater quantity of liquid, with an increase in the final volume, depending on the adsorbent used. Of these adsorbents, the diatom earth was better for treating liquid organic wastes. It had 100% adsorption and an increased volume of 0%, which is more than enough from the volumetric point of view of waste management. The ratio 0.8 liquid/adsorbent also showed good characteristics, but more study is needed to decide on the above, since liquid remains to be adsorbed. This work must continue to study the repeatability of results, to obtain physical and radiological characteristics for the immobilized products and to

  18. Analysis of organic solvents and liquid mixtures using a fiber-tip evaporation sensor

    Science.gov (United States)

    Preter, Eyal; Donlagic, Denis; Artel, Vlada; Katims, Rachel A.; Sukenik, Chaim N.; Zadok, Avi

    2014-05-01

    The instantaneous size and rate of evaporation of pendant liquid droplets placed on the cleaved facet of a standard fiber are reconstructed based on reflected optical power. Using the evaporation dynamics, the relative contents of ethanol in ethanol-water binary mixtures are assessed with 1% precision and different blends of methanol in gasoline are properly recognized. The latter application, in particular, is significant for the use of alternative fuels in the automotive sector. Also, ten organic solvents are identified based on their evaporation from a fiber facet coated with a hydrophobic, selfassembled monolayer.

  19. Mathematic model of the formation of a uniform liquid layer of binary fuel mixture inside a cryogenic target

    International Nuclear Information System (INIS)

    Wang Jinshan; Zhu Yuqun; Jiang Chao

    2006-01-01

    A mathematic model is established that formulated the relationship between the working temperature and thermal gradient in producing a uniform liquid layer of binary fuel mixture inside a cryogenic spherical shell inertial confinement fusion target. When the external linear thermal gradient was imposed on the target, the model showed the gradient of face tension induced by thermal gradient acted on the far field pull the liquid inside the ICF forward. This motion overcame the effect of gravitation to produce a uniform liquid layer inside ICF. And a finite element analysis of the heat transfer in hollow micro-sphere filled with the ICF fuel was made, the results compared with the experimental finding by K. Kim and the tendency of the thermal gradient was shown to be similar. (authors)

  20. Phase composition and saturated liquid properties in binary and ternary systems containing carbon dioxide, n-decane, and n-tetradecane

    International Nuclear Information System (INIS)

    Kariznovi, Mohammad; Nourozieh, Hossein; Abedi, Jalal

    2013-01-01

    Highlights: ► Binary and ternary systems of (carbon dioxide + n-decane + n-tetradecane) at 323.2 K. ► Isothermal phase properties measurements over wide range of pressure (1 to 6) MPa. ► Experimental measurements, density, viscosity, and composition, using a designed PVT apparatus. ► The experimental data were correlated using two equations of state. ► The interaction parameters and the volume shift values from the experimental data on the binary pairs. - Abstract: Experimental phase equilibrium data have been measured for the binary and ternary systems containing (carbon dioxide, n-decane, and n-tetradecane) at 323.2 K over the pressure range (1 to 6) MPa using a designed PVT apparatus. The measurements presented in this paper were undertaken to determine liquid phase composition and liquid saturated properties (density and viscosity) when a liquid hydrocarbon (n-decane, n-tetradecane, and their mixtures) was saturated with carbon dioxide. The generated data for compositions and densities were correlated with the Soave–Redlich–Kwong (SRK) and Peng–Robinson (PR) equations of state (EOS). The adjustment of binary interaction parameters and volume translation technique has been employed to correlate the experimental compositions and densities. The adjusted binary parameters from the data of binary pairs (carbon dioxide + n-decane) and (carbon dioxide + n-tetradecane) were used to correlate the generated ternary data. The calculated ternary compositions were found to be in good agreement with the experimental data using the binary parameters from the data of binary pairs for both EOSs. The results for the density of saturated liquid phase indicated that the volume translation should be applied to all components in the binary and ternary systems to describe accurately the saturated liquid densities for mixtures.

  1. Global phase equilibrium calculations: Critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures

    DEFF Research Database (Denmark)

    Cismondi, Martin; Michelsen, Michael Locht

    2007-01-01

    A general strategy for global phase equilibrium calculations (GPEC) in binary mixtures is presented in this work along with specific methods for calculation of the different parts involved. A Newton procedure using composition, temperature and Volume as independent variables is used for calculati...

  2. Process analysis of pressurized oxy-coal power cycle for carbon capture application integrated with liquid air power generation and binary cycle engines

    International Nuclear Information System (INIS)

    Aneke, Mathew; Wang, Meihong

    2015-01-01

    Highlights: • We model a 573 MW pressurized oxy-coal combustion with supercritical steam cycle. • A 126 MW liquid air power plant was integrated to utilize the nitrogen stream. • We used organic Rankine cycle to recover heat from compressors. • The model was analysed for with and without carbon capture consideration. • Efficiency increase of 12–15% was achieved due to integration and heat recovery. - Abstract: In this paper, the thermodynamic advantage of integrating liquid air power generation (LAPG) process and binary cycle waste heat recovery technology to a standalone pressurized oxy-coal combustion supercritical steam power generation cycle is investigated through modeling and simulation using Aspen Plus® simulation software version 8.4. The study shows that the integration of LAPG process and the use of binary cycle heat engine which convert waste heat from compressor exhaust to electricity, in a standalone pressurized oxy-coal combustion supercritical steam power generation cycle improves the thermodynamic efficiency of the pressurized oxy-coal process. The analysis indicates that such integration can give about 12–15% increase in thermodynamic efficiency when compared with a standalone pressurized oxy-coal process with or without CO 2 capture. It was also found that in a pressurized oxy-coal process, it is better to pump the liquid oxygen from the cryogenic ASU to a very high pressure prior to vapourization in the cryogenic ASU main heat exchanger and subsequently expand the gaseous oxygen to the required combustor pressure than either compressing the atmospheric gaseous oxygen produced from the cryogenic ASU directly to the combustor pressure or pumping the liquid oxygen to the combustor pressure prior to vapourization in the cryogenic ASU main heat exchanger. The power generated from the compressor heat in the flue gas purification, carbon capture and compression unit using binary cycle heat engine was also found to offset about 65% of the

  3. Thermodynamic behavior of binary mixtures CnMpyNTf2 ionic liquids with primary and secondary alcohols

    International Nuclear Information System (INIS)

    Calvar, N.; Gómez, E.; Domínguez, Á.; Macedo, E.A.

    2012-01-01

    Highlights: ► Osmotic coefficients of alcohols with C n MpyNTf 2 (n = 2, 3, 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. ► The results have been interpreted in terms of interactions. - Abstract: In this paper, the osmotic and activity coefficients and vapor pressures of the binary mixtures containing the ionic liquids 1-ethyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide, C 2 MpyNTf 2 , and 1-methyl-3-propylpyridinium bis(trifluoromethylsulfonyl)imide, C 3 MpyNTf 2 , with 1-propanol, or 2-propanol and the ionic liquid 1-butyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide, C 4 MpyNTf 2 , with 1-propanol or 2-propanol or 1-butanol or 2-butanol were determined at T = 323.15 K using the vapor pressure osmometry technique. The influence of the structure of the alcohol and of the ionic liquid on both coefficients and vapor pressures is discussed and a comparison with literature data on binary mixtures containing ionic liquids with different cations and anion is also performed. Besides, the results have been interpreted in terms of solute–solvent and ion–ion interactions. The experimental osmotic coefficients were correlated using the Extended Pitzer model of Archer and the Modified Non-Random Two Liquids model obtaining standard deviations lower than 0.059 and 0.102 respectively, and the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated.

  4. Experimental determination and prediction of (solid+liquid) phase equilibria for binary mixtures of heavy alkanes and fatty acids

    Science.gov (United States)

    Benziane, Mokhtar; Khimeche, Kamel; Dahmani, Abdellah; Nezar, Sawsen; Trache, Djalal

    2012-06-01

    Solid-liquid equilibria for three binary mixtures, n-Eicosane (1) + Lauric acid (2), n-Tetracosane (1) + Stearic acid (2), and n-Octacosane (1) + Palmitic acid (2), were measured using a differential scanning calorimeter. Simple eutectic behaviour was observed for these systems. The experimental results were correlated by means of the modified UNIFAC (Larsen and Gmehling versions), UNIQUAC and ideal models. The root-mean-square deviations of the solubility temperatures for all measured data vary from 0.26 to 3.15 K and depend on the particular model used. The best solubility correlation was obtained with the UNIQUAC model.

  5. Self-Organized Structures in Magnetic Liquids

    DEFF Research Database (Denmark)

    Oddershede, Lene; Bohr, Jakob

    1996-01-01

    Amazing patterns occur when a droplet of an oily suspension of finely divided magnetic particles, a magnetic liquid is confined within a Hele-Shaw cell and is subject to a magnetic field perpendicular to the surface of the cell. The pattern is macroscopic and the typical linear dimension...... of the pattern is about six orders of magnitude bigger than the particles in the magnetic liquid. In a series of experiments we have investigated the effect on the pattern of varying the height of the cell between 0.5 mm and 2 mm The height of the cell was shown to drastically influence both the characteristic...... sizes and the nature of the pattern The pattern changes character from being chaotic to become labyrinthine and finally droplet-like as the height is increased. The effect of varying the amount of magnetic liquid in the Hele-Shaw cell while maintaining the total volume of the cell was also studied...

  6. A New Prediction Method for Organic Liquids Sorption into Polymers

    Czech Academy of Sciences Publication Activity Database

    Randová, A.; Bartovská, L.; Izák, Pavel; Friess, K.

    2015-01-01

    Roč. 475, FEB 1 (2015), s. 545-551 ISSN 0376-7388 R&D Projects: GA ČR(CZ) GAP106/12/0569; GA MŠk(CZ) LD14094 Institutional support: RVO:67985858 Keywords : organic liquids * liquid non-solvents * polymers Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 5.557, year: 2015

  7. Measurement and modeling of high-pressure (vapour + liquid) equilibria of (CO{sub 2} + alcohol) binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Gutierrez, Jorge E.; Bejarano, Arturo [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

    2010-05-15

    An apparatus based on a static-analytic method assembled in this work was utilized to perform high pressure (vapour + liquid) equilibria measurements with uncertainties estimated at <5%. Complementary isothermal (vapour + liquid) equilibria results are reported for the (CO{sub 2} + 1-propanol), (CO{sub 2} + 2-methyl-1-propanol), (CO{sub 2} + 3-methyl-1-butanol), and (CO{sub 2} + 1-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 12) MPa. For all the (CO{sub 2} + alcohol) systems, it was visually monitored to insure that there was no liquid immiscibility at the temperatures and pressures studied. The experimental results were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapour + liquid) equilibria compositions were found to be in good agreement with the experimental values with deviations for the mol fractions <0.12 and <0.05 for the liquid and vapour phase, respectively.

  8. The effect of the alkyl chain length on physicochemical features of (ionic liquids + γ-butyrolactone) binary mixtures

    International Nuclear Information System (INIS)

    Papović, Snežana; Bešter-Rogač, Marija; Vraneš, Milan; Gadžurić, Slobodan

    2016-01-01

    Highlights: • Influence of alkyl substituent length on IL properties was studied. • Nature of interactions between studied [C n C 1 im][NTf 2 ] and GBL were discussed. • Angell strength parameter indicates [C n C 1 im][NTf 2 ] are fragile liquids. • ILs properties regularly change with increase of the alkyl chain length. • Absence of GBL self-association upon addition of IL is observed. - Abstract: Densities and viscosities were determined and analysed for γ-butyrolactone (GBL) binary mixtures with 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids (where alkyl = ethyl, hexyl, octyl) as a function of temperature at atmospheric pressure (p = 0.1 MPa) and over the whole composition range. Excess molar volumes have been calculated from the experimental densities and were fitted using Redlich–Kister’s polynomial equation. Other volumetric parameters have been also calculated in order to obtain information about interactions between GBL and imidazolium based ionic liquids with different alkyl chain length. From the viscosity measurements, the Angell strength parameter was calculated for pure ionic liquids indicating that all investigated electrolytes are “fragile” liquids.

  9. [Selectivity tuning in multi-binary eluents for reversed-phase liquid chromatography (RPLC)].

    Science.gov (United States)

    Lü, M; Zou, H; Liang, X; Lu, P

    1999-01-01

    In this article, the retention equation and the relationship between retention parameters and the parameters of molecular structure deduced from statistical thermodynamics in RPLC have been used to explain the difference of selectivity towards a particular species of compounds polycyclic aromatic hydrocarbons (PAHs). Methanol/water, acetonitrile/water and isopropanol/acetonitrile have been provided in advance, then the retention behaviors of sixteen PAHs under three binary solvent systems have been investigated. It is found that each pair of binary solvents of methanol/water, acetonitrile/water and isopropanol/acetonitrile has its own unique selectivity. The best selectivity obtained for acenaphthene and fluorene is methanol/water system for fluoranthene and pyrene is acetonitrile/water, and for benzo[g,h,i]perylene and dibenzo[a,h]anthracene is isopropanol/acetonitrile. So a three-stepwise gradient elution of multi-binary mobile phase can be chosen for separation of 16 PAHs.

  10. Self-Organized Structures in Magnetic Liquids

    DEFF Research Database (Denmark)

    Oddershede, Lene; Bohr, Jakob

    1996-01-01

    Amazing patterns occur when a droplet of an oily suspension of finely divided magnetic particles, a magnetic liquid is confined within a Hele-Shaw cell and is subject to a magnetic field perpendicular to the surface of the cell. The pattern is macroscopic and the typical linear dimension of the p...

  11. Efficient capture of SO2 by a binary mixture of caprolactam tetrabutyl ammonium bromide ionic liquid and water.

    Science.gov (United States)

    Duan, Erhong; Guo, Bin; Zhang, Miaomiao; Guan, Yanan; Sun, Hua; Han, Jing

    2011-10-30

    The solubility of SO(2) in a binary mixture of water and caprolactam tetrabutyl ammonium bromide ionic liquid (CPL-TBAB IL) was investigated. Though the ionic liquid and water were fully miscible, a phase separation occurred when SO(2) was introduced into the mixture. The SO(2) concentrated in the lower layer, and it could be released by heating the solution under reduced pressure (382.2K, 10.1 kPa). After desorption, the mixture could be reused to absorb SO(2). It was found that SO(2) acts as a switch to cause the water and CPL-TBAB IL to phase separate, and the mechanics of this phase separation process was studied by gas chromatography-mass spectrometry, fourier transform-infrared spectroscopy and Karl-Fisher titration. The absorption and desorption of SO(2) in the CPL-TBAB/water mixtures were reversible. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Liquid-Liquid Equilibrium and Excess Enthalpies in the Binary System 2-Methylpentane + N,N-Dimethylformamide

    Czech Academy of Sciences Publication Activity Database

    Bendová, Magdalena; Řehák, K.; Matouš, J.; Novák, J. P.

    2004-01-01

    Roč. 49, č. 5 (2004), s. 1318-1322 ISSN 0021-9568 Institutional research plan: CEZ:AV0Z4072921 Keywords : liquid-liquid equilibrium * excess enthalpies * thermodynamic models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.368, year: 2004

  13. Liquid-Liquid Equilibrium and Excess Enthalpies in Binary Systems Methylcyclohexane plus Methanol and Methylcyclohexane plus N,N-Dimethylformamide

    Czech Academy of Sciences Publication Activity Database

    Bendová, Magdalena; Řehák, K.; Matouš, J.; Novák, J. P.

    2003-01-01

    Roč. 48, č. 1 (2003), s. 152-157 ISSN 0021-9568 Institutional research plan: CEZ:AV0Z4072921 Keywords : liquid-liquid equilibrium * excess enthalpy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.950, year: 2003

  14. The liquidity of the Organic movement - reconversion or reillumination

    DEFF Research Database (Denmark)

    Kristensen, Niels Heine

    2005-01-01

    Kristensen NH (2005): The liquidity of the Organic movement - reconversion or reillumination. Paper presented at Working Group 5 at the XXI Congress of the ESRS 22-27 August, 2005 Keszthely, Hungary......Kristensen NH (2005): The liquidity of the Organic movement - reconversion or reillumination. Paper presented at Working Group 5 at the XXI Congress of the ESRS 22-27 August, 2005 Keszthely, Hungary...

  15. Isothermal (vapour + liquid) equilibrium and thermophysical properties for (1-butyl-3-methylimidazolium iodide + 1-butanol) binary system

    International Nuclear Information System (INIS)

    Teodorescu, Mariana

    2015-01-01

    Highlights: • The (vapour + liquid) equilibrium has been investigated at T = (353.15, 363.15, 373.15) K. • The refractive index vs. composition was determined at T = (293.15, 298.15, 308.15) K. • The system presents S-shape abatement from ideality in terms of G E . • Refractive index deviations are positive and increase with increasing temperature. • Densities, surface tensions, dielectric permittivities have been predicted. - Abstract: Experimental isothermal (vapour + liquid) equilibrium (VLE) data are reported for the binary mixture containing 1-butyl-3-methylimidazolium iodide ([bmim]I) + 1-butanol at three temperatures: (353.15, 363.15, and 373.15) K, in the range of 0 to 0.22 liquid mole fraction of [bmim]I. Additionally, refractive index measurements have been performed at three temperatures: (293.15, 298.15 and 308.15) K in the whole composition range. Densities, excess molar volumes, surface tensions and surface tension deviations of the binary mixture were predicted by Lorenz–Lorentz (n D -ρ) mixing rule. Dielectric permittivities and their deviations were evaluated by known equations. (Vapour + liquid) equilibrium data were correlated with Wilson thermodynamic model while refractive index data with the 3-parameters Redlich–Kister equation by means of maximum likelihood method. For the VLE data, the real vapour phase behaviour by virial equation of state was considered. The studied mixture presents S-shaped abatement from the ideality. Refractive index deviations, surface tension deviations and dielectric permittivity deviations are positive, while excess molar volumes are negative at all temperatures and on whole composition range. The VLE data may be used in separation processes design, and the thermophysical properties as key parameters in specific applications

  16. Isobaric vapor-liquid equilibria for binary systems α-phenylethylamine + toluene and α-phenylethylamine + cyclohexane at 100 kPa

    Science.gov (United States)

    Wu, Xiaoru; Gao, Yingyu; Ban, Chunlan; Huang, Qiang

    2016-09-01

    In this paper the results of the vapor-liquid equilibria study at 100 kPa are presented for two binary systems: α-phenylethylamine(1) + toluene (2) and (α-phenylethylamine(1) + cyclohexane(2)). The binary VLE data of the two systems were correlated by the Wilson, NRTL, and UNIQUAC models. For each binary system the deviations between the results of the correlations and the experimental data have been calculated. For the both binary systems the average relative deviations in temperature for the three models were lower than 0.99%. The average absolute deviations in vapour phase composition (mole fractions) and in temperature T were lower than 0.0271 and 1.93 K, respectively. Thermodynamic consistency has been tested for all vapor-liquid equilibrium data by the Herrington method. The values calculated by Wilson and NRTL equations satisfied the thermodynamics consistency test for the both two systems, while the values calculated by UNIQUAC equation didn't.

  17. A Guided Inquiry Liquid/Liquid Extractions Laboratory for Introductory Organic Chemistry

    Science.gov (United States)

    Raydo, Margaret L.; Church, Megan S.; Taylor, Zane W.; Taylor, Christopher E.; Danowitz, Amy M.

    2015-01-01

    A guided inquiry laboratory experiment for teaching liquid/liquid extractions to first semester undergraduate organic chemistry students is described. This laboratory is particularly useful for introductory students as the analytes that are separated are highly colored dye molecules. This allows students to track into which phase each analyte…

  18. Gaia eclipsing binary and multiple systems. Supervised classification and self-organizing maps

    Science.gov (United States)

    Süveges, M.; Barblan, F.; Lecoeur-Taïbi, I.; Prša, A.; Holl, B.; Eyer, L.; Kochoska, A.; Mowlavi, N.; Rimoldini, L.

    2017-07-01

    Context. Large surveys producing tera- and petabyte-scale databases require machine-learning and knowledge discovery methods to deal with the overwhelming quantity of data and the difficulties of extracting concise, meaningful information with reliable assessment of its uncertainty. This study investigates the potential of a few machine-learning methods for the automated analysis of eclipsing binaries in the data of such surveys. Aims: We aim to aid the extraction of samples of eclipsing binaries from such databases and to provide basic information about the objects. We intend to estimate class labels according to two different, well-known classification systems, one based on the light curve morphology (EA/EB/EW classes) and the other based on the physical characteristics of the binary system (system morphology classes; detached through overcontact systems). Furthermore, we explore low-dimensional surfaces along which the light curves of eclipsing binaries are concentrated, and consider their use in the characterization of the binary systems and in the exploration of biases of the full unknown Gaia data with respect to the training sets. Methods: We have explored the performance of principal component analysis (PCA), linear discriminant analysis (LDA), Random Forest classification and self-organizing maps (SOM) for the above aims. We pre-processed the photometric time series by combining a double Gaussian profile fit and a constrained smoothing spline, in order to de-noise and interpolate the observed light curves. We achieved further denoising, and selected the most important variability elements from the light curves using PCA. Supervised classification was performed using Random Forest and LDA based on the PC decomposition, while SOM gives a continuous 2-dimensional manifold of the light curves arranged by a few important features. We estimated the uncertainty of the supervised methods due to the specific finite training set using ensembles of models constructed

  19. The effects of mineral and liquid organic fertilizers on some ...

    African Journals Online (AJOL)

    süreyya

    2012-03-22

    Mar 22, 2012 ... fertilizers might be considered sufficient as a source of nutrients in organic growing. Key words: Bell pepper, liquid organic fertilizer, quality, mineral fertilizer, ascorbic acid, mineral content. INTRODUCTION. Over the last few years, consumer awareness of food- safety issues and environmental concerns ...

  20. A robust binary supramolecular organic framework (SOF) with high CO2 adsorption and selectivity.

    Science.gov (United States)

    Lü, Jian; Perez-Krap, Cristina; Suyetin, Mikhail; Alsmail, Nada H; Yan, Yong; Yang, Sihai; Lewis, William; Bichoutskaia, Elena; Tang, Chiu C; Blake, Alexander J; Cao, Rong; Schröder, Martin

    2014-09-17

    A robust binary hydrogen-bonded supramolecular organic framework (SOF-7) has been synthesized by solvothermal reaction of 1,4-bis-(4-(3,5-dicyano-2,6-dipyridyl)dihydropyridyl)benzene (1) and 5,5'-bis-(azanediyl)-oxalyl-diisophthalic acid (2). Single crystal X-ray diffraction analysis shows that SOF-7 comprises 2 and 1,4-bis-(4-(3,5-dicyano-2,6-dipyridyl)pyridyl)benzene (3); the latter formed in situ from the oxidative dehydrogenation of 1. SOF-7 shows a three-dimensional four-fold interpenetrated structure with complementary O-H···N hydrogen bonds to form channels that are decorated with cyano and amide groups. SOF-7 exhibits excellent thermal stability and solvent and moisture durability as well as permanent porosity. The activated desolvated material SOF-7a shows high CO2 adsorption capacity and selectivity compared with other porous organic materials assembled solely through hydrogen bonding.

  1. Unusual behaviour of binary mixtures of ferroelectric and antiferroelectric liquid crystals with three chiral centres

    Czech Academy of Sciences Publication Activity Database

    Glogarová, Milada; Novotná, Vladimíra; Kašpar, Miroslav; Hamplová, Věra

    2002-01-01

    Roč. 10, č. 1 (2002), s. 47-52 ISSN 1230-3402 R&D Projects: GA ČR GA202/99/1120 Institutional research plan: CEZ:AV0Z1010914 Keywords : binary mixture * ferroelectric phase * antiferroelectric phase * re-entrant ferroelectric phase * dielectric spectroscopy * soft anti-phase mode Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.466, year: 2002

  2. Osmotic and apparent molar properties of binary mixtures alcohol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

    International Nuclear Information System (INIS)

    González, Emilio J.; Calvar, Noelia; Domínguez, Ángeles; Macedo, Eugénia A.

    2013-01-01

    Highlights: ► Osmotic and physical properties of binary mixtures {alcohol + [BMim][TfO]} were measured. ► From experimental data, apparent molar properties and osmotic coefficients were calculated. ► The apparent properties were fitted using a Redlich–Meyer type equation. ► The osmotic coefficients were correlated using the Extended Pitzer model. -- Abstract: In this work, physical properties (densities and speeds of sound) for the binary systems {1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate} were experimentally measured from T = (293.15 to 323.15) K and at atmospheric pressure. These data were used to calculate the apparent molar volume and apparent molar isentropic compression which were fitted to a Redlich–Meyer type equation. This fit was used to obtain the corresponding apparent molar properties at infinite dilution. On the other hand, the osmotic and activity coefficients and vapor pressures of these binary mixtures were also determined at T = 323.15 K using the vapor pressure osmometry technique. The Extended Pitzer model of Archer was employed to correlate the experimental osmotic coefficients. From the parameters obtained in the correlation, the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated

  3. Binary and ternary vapor-liquid equilibrium data of the system ethylbenzene+styrene+3-methyl-N-butylpyridinium tetracyanoborate at vacuum conditions and liquid-liquid equilibrium data of their binary systems

    NARCIS (Netherlands)

    Jongmans, Mark; Hermens, E.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    In this study, binary LLE data at 313.2, 333.2, and 353.2 K, binary VLE data in the pressure range of 3–30 kPa and ternary VLE data at 5, 10, and 15 kPa have been determined for the system ethylbenzene + styrene + [3-mebupy][B(CN)4]. The IL [3-mebupy][B(CN)4] can increase the relative volatility of

  4. The Viscosity of Organic Liquid Mixtures

    Science.gov (United States)

    Len, C. W.; Trusler, J. P. M.; Vesovic, V.; Wakeham, W. A.

    2006-01-01

    The paper reports measurements of the viscosity and density of two heavy hydrocarbon mixtures, Dutrex and Arab Light Flashed Distillate (ALFD), and of their mixtures with hydrogen. The measurements have been carried out with a vibrating-wire device over a range of temperatures from 399 to 547 K and at pressures up to 20 MPa. Measurements have also been carried out on systems in which hydrogen at different concentrations has been dissolved in the liquids. The measurements have an estimated uncertainty of ±5% for viscosity and ±2% for density and represent the first results on these prototypical heavy hydrocarbons. The results reveal that the addition of hydrogen reduces both the density and viscosity of the original hydrocarbon mixture at a particular temperature and pressure.

  5. Isobaric (vapor + liquid) equilibria for the ternary system of (ethanol + water + 1,3-propanediol) and three constituent binary systems at P = 101.3 kPa

    International Nuclear Information System (INIS)

    Lai, Hung-Sheng; Lin, Yi-Feng; Tu, Chein-Hsiun

    2014-01-01

    Highlights: • We report VLE data at 101.3 kPa for mixtures of ethanol, water, and 1,3-propanediol. • The VLE data were correlated by the Wilson, NRTL, and UNIQUAC models. • The ternary VLE data were predicted from binary VLE data using the three models. • The VLE effect of 1,3-propanediol on the azeotropic ethanol + water mixture was studied. • The azeotropic point of ethanol + water disappears at 30 wt% of 1,3-propanediol. -- Abstract: Isobaric (vapor + liquid) equilibrium (VLE) at P = 101.3 kPa have been measured for the ternary system of (ethanol + water + 1,3-propanediol) and for the corresponding binary systems of (ethanol + water), (ethanol + 1,3-propanediol), and (water + 1,3-propnaediol) using a Hunsmann-type equilibrium still with circulation of both vapor and liquid phases. The ternary mixtures were prepared by mixing ethanol and pure water with three concentrations (10, 30, and 50) wt% of 1,3-propanediol in the overall liquid mixtures in order to study the effect of 1,3-propanediol on the VLE of (ethanol + water). The equilibrium compositions of mixtures were analyzed by gas–liquid chromatography. The relative volatilities of ethanol with respect to water were also determined. The results of the investigation indicate the disappearance of the binary azeotrope between ethanol and water when the concentration of 1,3-propanediol is up to 30 wt%. The liquid activity coefficients were calculated using the modified Raoult’s law. The thermodynamic consistency of the VLE data was performed for the three binary systems using Van Ness direct test. The new binary and ternary VLE data were successfully correlated using the Wilson, NRTL, and UNIQUAC models, for which the binary interaction parameters are reported

  6. Utilizing Energy Transfer in Binary and Ternary Bulk Heterojunction Organic Solar Cells.

    Science.gov (United States)

    Feron, Krishna; Cave, James M; Thameel, Mahir N; O'Sullivan, Connor; Kroon, Renee; Andersson, Mats R; Zhou, Xiaojing; Fell, Christopher J; Belcher, Warwick J; Walker, Alison B; Dastoor, Paul C

    2016-08-17

    Energy transfer has been identified as an important process in ternary organic solar cells. Here, we develop kinetic Monte Carlo (KMC) models to assess the impact of energy transfer in ternary and binary bulk heterojunction systems. We used fluorescence and absorption spectroscopy to determine the energy disorder and Förster radii for poly(3-hexylthiophene-2,5-diyl), [6,6]-phenyl-C61-butyric acid methyl ester, 4-bis[4-(N,N-diisobutylamino)-2,6-dihydroxyphenyl]squaraine (DIBSq), and poly(2,5-thiophene-alt-4,9-bis(2-hexyldecyl)-4,9-dihydrodithieno[3,2-c:3',2'-h][1,5]naphthyridine-5,10-dione). Heterogeneous energy transfer is found to be crucial in the exciton dissociation process of both binary and ternary organic semiconductor systems. Circumstances favoring energy transfer across interfaces allow relaxation of the electronic energy level requirements, meaning that a cascade structure is not required for efficient ternary organic solar cells. We explain how energy transfer can be exploited to eliminate additional energy losses in ternary bulk heterojunction solar cells, thus increasing their open-circuit voltage without loss in short-circuit current. In particular, we show that it is important that the DIBSq is located at the electron donor-acceptor interface; otherwise charge carriers will be trapped in the DIBSq domain or excitons in the DIBSq domains will not be able to dissociate efficiently at an interface. KMC modeling shows that only small amounts of DIBSq (energy transfer.

  7. The Modified Leung-Griffiths Model of Vapor-Liquid Equilibrium: Developments for Binary Mixtures of Dissimilar Fluids.

    Science.gov (United States)

    Lynch, John James

    1990-01-01

    The modified Leung-Griffiths model is a corresponding states theory applied to mixtures that successfully correlates, evaluates, and predicts vapor-liquid equilibrium (VLE) boundaries for binary fluid mixtures. The strength of the model lies in its excellent performance at and near the critical locus down to about half of the critical pressures. Conventional phase equilibrium algorithms based on classical equations of state generally fail to converge or are inaccurate near the critical locus. The modified Leung-Griffiths model, however, incorporates nonclassical, scaling-law critical exponents. Because of the universality of critical behavior, the technique is relatively insensitive to phenomena such as polarity or hydrogen bonding which usually cause severe calculation problems. This thesis covers several topics. The first is an investigation into some of the near-critical phenomena of binary fluid mixtures using asymptotic expansions. Dew -bubble curves are expanded through five orders about the critical locus within the formalism of the model. Explicit mathematical representations of the curves are obtained and the coefficients of the expansions are closely evaluated. Another subject, one that has had a significant impact on the progress of the remainder of the work, is the problem of fitting VLE data to non-linear functions. This problem is discussed and examples of systematic non-linear fits are presented. The next topic is the incorporation of "extended scaling," the Wegner correction, into the theory. This extension improves the performance of the model for binary mixtures with wide dew-bubble curves, that is mixtures with two highly dissimilar components. Finally, a study of the predictive capabilities and limitations of the model is presented.

  8. The Precise Measurement of Vapor-Liquid Equilibrium Properties of the CO2/Isopentane Binary Mixture, and Fitted Parameters for a Helmholtz Energy Mixture Model

    Science.gov (United States)

    Miyamoto, H.; Shoji, Y.; Akasaka, R.; Lemmon, E. W.

    2017-10-01

    Natural working fluid mixtures, including combinations of CO2, hydrocarbons, water, and ammonia, are expected to have applications in energy conversion processes such as heat pumps and organic Rankine cycles. However, the available literature data, much of which were published between 1975 and 1992, do not incorporate the recommendations of the Guide to the Expression of Uncertainty in Measurement. Therefore, new and more reliable thermodynamic property measurements obtained with state-of-the-art technology are required. The goal of the present study was to obtain accurate vapor-liquid equilibrium (VLE) properties for complex mixtures based on two different gases with significant variations in their boiling points. Precise VLE data were measured with a recirculation-type apparatus with a 380 cm3 equilibration cell and two windows allowing observation of the phase behavior. This cell was equipped with recirculating and expansion loops that were immersed in temperature-controlled liquid and air baths, respectively. Following equilibration, the composition of the sample in each loop was ascertained by gas chromatography. VLE data were acquired for CO2/ethanol and CO2/isopentane binary mixtures within the temperature range from 300 K to 330 K and at pressures up to 7 MPa. These data were used to fit interaction parameters in a Helmholtz energy mixture model. Comparisons were made with the available literature data and values calculated by thermodynamic property models.

  9. On the solid–liquid phase diagrams of binary mixtures of even saturated fatty alcohols: Systems exhibiting peritectic reaction

    Energy Technology Data Exchange (ETDEWEB)

    Carareto, Natália D.D. [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil); Santos, Adenílson O. dos [Social Sciences, Health and Technology Center, University of Maranhão, UFMA, CEP 65900-410 Imperatriz, MA (Brazil); Rolemberg, Marlus P. [Institute of Science and Technology, University of Alfenas, UNIFAL, Rodovia José AurélioVilela, CEP 37715400 Poços de Caldas, MG (Brazil); Cardoso, Lisandro P. [Institute of Physics GlebWataghin, University of Campinas, UNICAMP, C.P. 6165, CEP 13083-970 Campinas, SP (Brazil); Costa, Mariana C. [School of Applied Science, University of Campinas, UNICAMP, CEP 13484-350 Limeira, SP (Brazil); Meirelles, Antonio J.A., E-mail: tomze@fea.unicamp.br [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil)

    2014-08-10

    Highlights: • SLE of binary mixtures of saturated fatty alcohols was studied. • Experimental data were obtained using DSC and stepscan DSC. • Microscopy and X-ray diffraction used as complementary techniques. • Systems presented eutectic, peritectic and metatectic points. - Abstract: The solid–liquid phase diagrams of the following binary mixtures of even saturated fatty alcohols are reported in the literature for the first time: 1-octanol (C8OH) + 1-decanol (C10OH), 1-decanol + 1-dodecanol (C12OH), 1-dodecanol + 1-hexadecanol (C16OH) and 1-tetradecanol (C14OH) + 1-octadecanol (C18OH). The phase diagrams were obtained by differential scanning calorimetry (DSC) using a linear heating rate of 1 K min{sup −1} and further investigated by using a stepscan DSC method. X-ray diffraction (XRD) and polarized light microscopy were also used to complement the characterization of the phase diagrams which have shown a complex global behavior, presenting not only peritectic and eutectic reactions, but also the metatectic reaction and partial immiscibility on solid state.

  10. Predicting the vapor-liquid equilibrium of hydrocarbon binary mixtures and polymer solutions using predetermined pure component parameters

    Science.gov (United States)

    Ryu, Sang Kyu; Bae, Young Chan

    2012-05-01

    In our previous work, a new close-packed lattice model was developed for multi-component system of chain fluids with taking the chain length dependence from Monte-Carlo (MC) simulation results into account. In this work, we further extend this model to describe pressure, volume and temperature (PVT) properties, such as vapor-liquid equilibrium (VLE). To consider the effect of pressure on the phase behavior, the volume change effect is taken into account by introducing holes into the incompressible lattice model with two mixing steps. The corresponding new lattice fluid equation of state (LF-EoS) is applied to predict the thermodynamic properties of pure and binary mixtures of hydrocarbons as well as pure polymer solutions. The results of the proposed model are compared to other predictive approaches based on VLE calculations using predetermined pure model parameters without further adjustment. Thermodynamic properties predicted using the method developed in this work are consistent with the experimental data.

  11. Density, viscosity, isothermal (vapour + liquid) equilibrium, excess molar volume, viscosity deviation, and their correlations for chloroform + methyl isobutyl ketone binary system

    International Nuclear Information System (INIS)

    Clara, Rene A.; Gomez Marigliano, Ana C.; Solimo, Horacio N.

    2007-01-01

    Density and viscosity measurements for pure chloroform and methyl isobutyl ketone at T = (283.15, 293.15, 303.15, and 313.15) K as well as for the binary system {x 1 chloroform + (1 - x 1 ) methyl isobutyl ketone} at the same temperatures were made over the whole concentration range. The experimental results were fitted to empirical equations, which permit the calculation of these properties over the whole concentration and temperature ranges studied. Data of the binary mixture were further used to calculate the excess molar volume and viscosity deviation. The (vapour + liquid) equilibrium (VLE) at T = 303.15 K for this binary system was also measured in order to calculate the activity coefficients and the excess molar Gibbs energy. This binary system shows no azeotrope and negative deviations from ideal behaviour. The excess or deviation properties were fitted to the Redlich-Kister polynomial relation to obtain their coefficients and standard deviations

  12. HIGH-PRESSURE VAPOR-LIQUID EQUILIBRIUM DATA FOR BINARY AND TERNARY SYSTEMS FORMED BY SUPERCRITICAL CO2, LIMONENE AND LINALOOL

    Directory of Open Access Journals (Sweden)

    MELO S. A. B. VIEIRA DE

    1999-01-01

    Full Text Available The feasibility of deterpenating orange peel oil with supercritical CO2 depends on relevant vapor-liquid equilibrium data because the selectivity of this solvent for limonene and linalool (the two key components of the oil is of crucial importance. The vapor-liquid equilibrium data of the CO2-limonene binary system was measured at 50, 60 and 70oC and pressures up to 10 MPa, and of the CO2-linalool binary system at 50oC and pressures up to 85 bar. These results were compared with published data when available in the literature. The unpublished ternary phase equilibrium of CO2-limonene-linalool was studied at 50oC and up to 9 MPa. Selectivities obtained using these ternary data were compared with those calculated using binary data and indicate that a selective separation of limonene and linalool can be achieved.

  13. Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C{sub 1}-C{sub 4}) and dimethyl carbonate

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Hiroyuki, E-mail: matsuda@chem.cst.nihon-u.ac.jp [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Fukano, Makoto; Kikkawa, Shinichiro [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Constantinescu, Dana [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany); Kurihara, Kiyofumi; Tochigi, Katsumi; Ochi, Kenji [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Gmehling, Juergen [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany)

    2012-01-15

    Highlights: > The VLE behavior of systems containing dimethyl carbonate (DMC) was investigated. > VLE data for ternary and binary mixtures containing alcohol and DMC were measured. > Several activity coefficient models were used for data reduction or prediction. > Valley line, i.e., distillation boundary, was observed for the ternary mixture. > Residue curves were calculated to investigate composition profile for distillation. - Abstract: (Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {l_brace}methanol + propan-1-ol + dimethyl carbonate (DMC){r_brace}, and four binary mixtures, namely an {l_brace}alcohol (C{sub 3} or C{sub 4}) + DMC{r_brace}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor-liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.

  14. Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C1-C4) and dimethyl carbonate

    International Nuclear Information System (INIS)

    Matsuda, Hiroyuki; Fukano, Makoto; Kikkawa, Shinichiro; Constantinescu, Dana; Kurihara, Kiyofumi; Tochigi, Katsumi; Ochi, Kenji; Gmehling, Juergen

    2012-01-01

    Highlights: → The VLE behavior of systems containing dimethyl carbonate (DMC) was investigated. → VLE data for ternary and binary mixtures containing alcohol and DMC were measured. → Several activity coefficient models were used for data reduction or prediction. → Valley line, i.e., distillation boundary, was observed for the ternary mixture. → Residue curves were calculated to investigate composition profile for distillation. - Abstract: (Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {methanol + propan-1-ol + dimethyl carbonate (DMC)}, and four binary mixtures, namely an {alcohol (C 3 or C 4 ) + DMC}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor-liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.

  15. Computation of Isobaric Vapor-Liquid Equilibrium Data for Binary and Ternary Mixtures of Methanol, Water, and Ethanoic Acid from T, p, x, and HmE Measurements

    Directory of Open Access Journals (Sweden)

    Daming Gao

    2012-01-01

    Full Text Available Vapor-liquid equilibrium (VLE data for the strongly associated ternary system methanol + water + ethanoic acid and the three constituent binary systems have been determined by the total pressure-temperature-liquid-phase composition-molar excess enthalpy of mixing of the liquid phase (p, T, x, HmE for the binary systems using a novel pump ebulliometer at 101.325 kPa. The vapor-phase compositions of these binary systems had been calculated from Tpx and HmE based on the Q function of molar excess Gibbs energy through an indirect method. Moreover, the experimental T, x data are used to estimate nonrandom two-liquid (NRTL, Wilson, Margules, and van Laar model parameters, and these parameters in turn are used to calculate vapor-phase compositions. The activity coefficients of the solution were correlated with NRTL, Wilson, Margules, and van Laar models through fitting by least-squares method. The VLE data of the ternary system were well predicted from these binary interaction parameters of NRTL, Wilson, Margules, and van Laar model parameters without any additional adjustment to build the thermodynamic model of VLE for the ternary system and obtain the vapor-phase compositions and the calculated bubble points.

  16. Solid-liquid interface free energy in binary systems: theory and atomistic calculations for the (110) Cu-Ag interface.

    Science.gov (United States)

    Frolov, T; Mishin, Y

    2009-08-07

    We analyze thermodynamics of solid-liquid interfaces in binary systems when the solid is in a nonhydrostatic state of stress. The difficulty lies in the fact that chemical potential of at least one of the chemical components in a nonhydrostatic solid is an undefined quantity. We show, nevertheless, that the interface free energy gamma can be defined as excess of an appropriate thermodynamic potential that depends on the chemical potentials in the liquid phase. We derive different forms of the adsorption equation for solid-liquid interfaces, with differential coefficients representing excesses of extensive properties. This leads, in particular, to the formulation of interface stress tau(ij) as an appropriate excess over nonhydrostatic bulk stresses. The interface stress is not unique unless the solid is in a hydrostatic state of stress. We also derive Gibbs-Helmholtz type equations that can be applied for thermodynamic integration of gamma. All thermodynamic relations derived here are presented in forms suitable for atomistic simulations. In particular, the excess quantities can be computed without constructing interface profiles. As an application, we perform semigrand canonical Monte Carlo simulations of the (110) solid-liquid interface in the Cu-Ag system. We show that gamma computed by thermodynamic integration along a coexistence path decreases with increasing composition difference between the phases. At the same time, tau(ij) remains negative (i.e., the interface is in a state of compression), drastically increases in magnitude, and becomes highly anisotropic. Some of the interface excess properties are computed by different methods and demonstrate accurate agreement with each other, confirming the correctness of our analysis.

  17. (Vapour + liquid) equilibria for binary and ternary mixtures of 2-propanol, tetrahydropyran, and 2,2,4-trimethylpentane at P = 101.3 kPa

    International Nuclear Information System (INIS)

    Lin, Dun-Yi; Tu, Chein-Hsiun

    2012-01-01

    Highlights: ► We report the VLE data at P = 101.3 kPa involving a cyclic ether. ► The activity coefficients of mixtures were obtained from modified Raoult’s law. ► The VLE data were correlated by four liquid activity coefficient models. ► The ternary VLE data were predicted from binary parameters of the four models. - Abstract: (Vapour + liquid) equilibrium (VLE) at P = 101.3 kPa have been determined for a ternary system (2-propanol + tetrahydropyran + 2,2,4-trimethylpentane) and its constituent binary systems (2-propanol + tetrahydropyran, 2-propanol + 2,2,4-trimethylpentane), and (tetrahydropyran + 2,2,4-trimethylpentane). Analysis of VLE data reveals that two binary systems (2-propanol + tetrahydropyran) and (2-propanol + 2,2,4-trimethylpentane) have a minimum boiling azeotrope. No azeotrope was found for the ternary system. The activity coefficients of liquid mixtures were obtained from the modified Raoult’s law and were used to calculate the reduced excess molar Gibbs free energy (g E /RT). Thermodynamic consistency tests were performed for all VLE data using the Van Ness direct test for the binary systems and the test of McDermott–Ellis as modified by Wisniak and Tamir for the ternary system. The VLE data of the binary mixtures were correlated using the three-suffix Margules, Wilson, NRTL, and UNIQUAC activity-coefficient models. The models with their best-fitted interaction parameters of the binary systems were used to predict the ternary (vapour + liquid) equilibrium.

  18. Molecular interaction forces in acetone + ethanol binary liquid solutions: FTIR and theoretical studies

    Science.gov (United States)

    Jadhav, Deepali L.; Karthick, N. K.; Kannan, P. P.; Shanmugam, R.; Elangovan, A.; Arivazhagan, G.

    2017-02-01

    FTIR spectra of neat acetone, ethanol and their binary solutions at the molar ratios 0.2:0.8 (ethanol: acetone), 0.4:0.6, 0.6:0.4 and 0.8:0.2 have been recorded at room temperature. Theoretical calculations have also been made on acetone (monomer and dimer), ethanol monomer, dimer, trimer, tetramer, pentamer, hexamer and ethanol - acetone complex molecules. 4:1 (ethanol:acetone), 5:1 and 6:2 complexation through the classical Cdbnd O⋯Hsbnd O and (acetone) Csbnd H⋯Osbnd C(ethanol) hydrogen bonds has been identified. Ethanol rich solutions may consist of ethanol multimers such as tetramer, pentamer and hexamer along with 4:1, 5:1 and 6:2 complex molecules depending upon ethanol concentration. Acetone seems to exist as a mixture of monomer and dimer.

  19. Homogeneous bubble nucleation in binary systems of liquid solvent and dissolved gas

    Czech Academy of Sciences Publication Activity Database

    Němec, Tomáš

    2016-01-01

    Roč. 467, March (2016), s. 26-37 ISSN 0301-0104 R&D Projects: GA ČR GAP101/10/1819; GA ČR GA13-23550S Institutional support: RVO:61388998 Keywords : bubble nucleation * binary nucleation theory * dissolved gas Subject RIV: BJ - Thermodynamics Impact factor: 1.767, year: 2016 http://ac.els- cdn .com/S0301010416000124/1-s2.0-S0301010416000124-main.pdf?_tid=7797c8a0-fb13-11e5-ba55-00000aab0f6c& amp ;acdnat=1459849853_b9a5413fefc3e9199e844a9ccc97f514

  20. Transport properties of binary liquid mixtures - candidate solvents for optimized flue gas cleaning processes

    Directory of Open Access Journals (Sweden)

    Stanimirović Andrej M.

    2016-01-01

    Full Text Available Thermal conductivities and viscosities of three pure chemicals, monoethanol amine (MEA, tetraethylene glycol dimethyl ether (TEGDME and polyethylene glycol 200 (PEG 200 and two binary mixtures (MEA + + TEGDME and MEA + PEG 200 were measured at six temperatures: 298.15, 303.15, 308.15, 313.15, 318.15 and 323.15 K and atmospheric pressure. Measurement of thermal conductivities was based on a transient hot wire measurement setup, while viscosities were measured with a digital Stabinger SVM 3000/G2 viscometer. From these data, deviations in thermal conductivity and viscosity were calculated and fitted to the Redlich-Kister equation. Thermal conductivities of mixtures were correlated using Filippov, Jamieson, Baroncini and Rowley models, while viscosity data were correlated with the Eyring-UNIQUAC, Eyring-NRTL and McAlistermodels. [Projekat Ministarstva nauke Republike Srbije, br. 172063

  1. Exploring the Temporality of Food Organizations in Liquid Modernity

    DEFF Research Database (Denmark)

    Hernes, Tor; Schmidt, Jonathan; Schultz, Majken

    The contribution of our paper is to show how food organizations strive to enact coherent temporalities in the face of what Bauman describes as “liquid modernity”. Liquid modernity offers the possibility to explore temporal spans that range from the instantaneous to the distant past and future....... Because food organizations are challenged to enact their time between natural time and human time while abiding by the constraints of industry, liquid modernity challenges their ability to enact multiple and sometimes contrasting temporalities. Drawing on data from a brewery and a dairy corporation, our...... study illustrates how their time enactment takes place along three dimensions. First, through what we call “malleable time”, including the contraction and dilation of time horizons. Second, through what we call “projective time”, signifying the outward enactment of time onto others. Third, through what...

  2. High-Efficiency Small-Scale Combined Heat and Power Organic Binary Rankine Cycles

    Directory of Open Access Journals (Sweden)

    Costante Mario Invernizzi

    2018-04-01

    Full Text Available Small-CHP (Combined Heat and Power systems are generally considered a valuable technological option to the conventional boilers, in a technology developed context. If small-CHP systems are associated with the use of renewable energies (biomass, for example they could play an important role in distributed generation even in developing countries or, in any case, where there are no extensive electricity networks. Traditionally the considered heat engines for micro- or mini-CHP are: the gas engine, the gas turbine (with internal combustion, the steam engine, engine working according to the Stirling and to the Rankine cycles, the last with organic fluids. In principle, also fuel cells could be used. In this paper, we focus on small size Rankine cycles (10–15 k W with organic working fluids. The assumed heat source is hot combustion gases at high temperature (900–950 ∘ C and we assume to use only single stages axial turbines. The need to work at high temperatures, limits the choice of the right organic working fluids. The calculation results show the limitation in the performances of simple cycles and suggest the opportunity to resort to complex (binary cycle configurations to achieve high net conversion efficiencies (15–16%.

  3. Assessment and prediction of joint algal toxicity of binary mixtures of graphene and ionic liquids.

    NARCIS (Netherlands)

    Wang, Zhuang; Zhang, Fan; Wang, Se; Peijnenburg, Willie J G M

    2017-01-01

    Graphene and ionic liquids (ILs) released into the environment will interact with each other. So far however, the risks associated with the concurrent exposure of biota to graphene and ILs in the environment have received little attention. The research reported here focused on observing and

  4. Non-linearity parameter of binary liquid mixtures at elevated pressures

    Indian Academy of Sciences (India)

    Abstract. When sound waves of high amplitude propagate, several non-linear effects occur. Ultra- sonic studies in liquid mixtures provide valuable information about structure and interaction in such systems. The present investigation comprises of theoretical evaluation of the acoustic non-linearity parameter B/A of four ...

  5. Thermal Properties of Some Organic Liquids Using Ultrasonic Velocity Measurements

    Directory of Open Access Journals (Sweden)

    P. Ramadoss

    2011-01-01

    Full Text Available Debye temperature and thermal relaxation time has been calculated in normal and boiling temperature. Using thermal relaxation time, the heat of fusion has been calculated for nineteen organic liquids and the results throw light on the method of calculating heat of fusion.

  6. Effectiveness of liquid organic-nitrogen fertilizer in enhancing ...

    African Journals Online (AJOL)

    The ever increasing price of nitrogenous (N) fertilizers coupled with the deleterious effects of imbalanced N fertilizers on the environment necessitates the enhancement of N use efficiency of plants. The objectives of this study were to: (1) Evaluate the uptake of selected nutrients due to application of liquid organic-N ...

  7. A system of hydrogen powered vehicles with liquid organic hydrides

    International Nuclear Information System (INIS)

    Taube, M.

    1981-07-01

    A motor car system based on the hydrogen produced by nuclear power stations during the night in the summer, and coupled with organic liquid hydride seems to be a feasible system in the near future. Such a system is discussed and the cost is compared with gasoline. (Auth.)

  8. Effect of gold nanoparticles on structure and dynamics of binary Lennard-Jones liquid: Wave-vector space analysis

    Science.gov (United States)

    Separdar, L.; Davatolhagh, S.

    2016-12-01

    Molecular dynamics simulations at constant (N , V , T) are used to study the mutual effects of gold nanoparticles on the structure and dynamics of Kob-Andersen binary Lennard-Jones (BLJ) liquid within the framework of mode coupling theory of dynamic glass transition in the reciprocal space. The results show the 'softening' effect of the gold nanoparticles on the liquid dynamics in terms of (i) reducing the mode coupling crossover temperature Tc with respect to that of the bulk BLJ (i.e. BLJ without nanoparticles), (ii) decreasing the time interval of β-relaxation, and (iii) decreasing the exponent γ characterizing the power-law behavior of the α-relaxation time. This softening effect is explained in terms of the van der Waals attraction between the gold atoms comprising the nanoparticle and the BLJ host atoms, such that adsorption of host atoms onto the nanoparticle surface creates more space or free-volume for the other atoms to diffuse. By the same token interactions of purely excluded-volume-type are expected to result in the opposite effect. It is also noted that, much unlike BLJ host particles, the dynamics of gold nanoparticles is much less dependent on the wave-vector and that it exhibits a nearly exponential behavior in the α-relaxation regime.

  9. Liquid Organic Fertilizers for Sustainable Agriculture: Nutrient Uptake of Organic versus Mineral Fertilizers in Citrus Trees.

    Science.gov (United States)

    Martínez-Alcántara, Belén; Martínez-Cuenca, Mary-Rus; Bermejo, Almudena; Legaz, Francisco; Quiñones, Ana

    2016-01-01

    The main objective of this study was to compare the performance of two liquid organic fertilizers, an animal and a plant-based fertilizer, with mineral fertilization on citrus trees. The source of the fertilizer (mineral or organic) had significant effect in the nutritional status of the organic and conventionally managed mandarins. Nutrient uptake, vegetative growth, carbohydrate synthesis and soil characteristics were analyzed. Results showed that plants fertilized with animal based liquid fertilizers exhibited higher total biomass with a more profuse development of new developing organs (leaves and fibrous roots). Liquid organic fertilization resulted in an increased uptake of macro and micronutrients compared to mineral fertilized trees. Moreover, organic fertilization positively affected the carbohydrate content (fructose, glucose and sucrose) mainly in summer flush leaves. Liquid organic fertilization also resulted in an increase of soil organic matter content. Animal-based fertilizer, due to intrinsic composition, increased total tree biomass and carbohydrate leaves content, and led to lower soil nitrate concentration and higher P and Mg exchangeable in soil extract compared to vegetal-based fertilizer. Therefore, liquid organic fertilizers could be used as an alternative to traditional mineral fertilization in drip irrigated citrus trees.

  10. Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecane

    Science.gov (United States)

    Das, Arya; Ali, Sk. Musharaf

    2018-02-01

    performing the non-equilibrium molecular dynamics employing the periodic perturbation method. The calculated shear viscosity of the binary mixture is found to be in excellent agreement with the experimental values. The use of the newly calibrated OPLS force field embedding Mulliken charges is shown to be equally reliable in predicting the structural and dynamical properties for the mixture without incorporating any arbitrary scaling in the force field or Lennard-Jones parameters. Further, the present MD simulation results demonstrate that the Stokes-Einstein relation breaks down at the molecular level. The present methodology might be adopted to evaluate the liquid state properties of an aqueous-organic biphasic system, which is of great significance in the interfacial science and technology.

  11. Non-equilibrium concentration fluctuations in binary liquids with realistic boundary conditions.

    Science.gov (United States)

    Ortiz de Zárate, J M; Kirkpatrick, T R; Sengers, J V

    2015-09-01

    Because of the spatially long-ranged nature of spontaneous fluctuations in thermal non-equilibrium systems, they are affected by boundary conditions for the fluctuating hydrodynamic variables. In this paper we consider a liquid mixture between two rigid and impervious plates with a stationary concentration gradient resulting from a temperature gradient through the Soret effect. For liquid mixtures with large Lewis and Schmidt numbers, we are able to obtain explicit analytical expressions for the intensity of the non-equilibrium concentration fluctuations as a function of the frequency ω and the wave number q of the fluctuations. In addition we elucidate the spatial dependence of the intensity of the non-equilibrium fluctuations responsible for a non-equilibrium Casimir effect.

  12. Binary mixtures of liquid crystalline compounds with a reentrant smectic-A* phase

    Czech Academy of Sciences Publication Activity Database

    Podoliak, Natalia; Novotná, Vladimíra; Glogarová, Milada; Pociecha, D.; Gorecka, E.; Kašpar, Miroslav; Hamplová, Věra

    2011-01-01

    Roč. 84, č. 6 (2011), 061704/1-061704/7 ISSN 1539-3755 R&D Projects: GA ČR(CZ) GAP204/11/0723 Grant - others:GA UK(CZ) SVV-2011-263303 Institutional research plan: CEZ:AV0Z10100520 Keywords : liquid crystals * smectic phases * ferroelectricity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.255, year: 2011

  13. Dynamical, structural and chemical heterogeneities in a binary metallic glass-forming liquid

    Science.gov (United States)

    Puosi, F.; Jakse, N.; Pasturel, A.

    2018-04-01

    As it approaches the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamic is believed to be responsible for different phenomena including non-exponential relaxation and the breakdown of the Stokes-Einstein relation. Understanding the relationships between dynamical heterogeneities and local structure in metallic liquids and glasses is a major scientific challenge. Here we use classical molecular dynamics simulations to study the atomic dynamics and microscopic structure of Cu50Zr50 alloy in the supercooling regime. Dynamical heterogeneities are identified via an isoconfigurational analysis. We demonstrate the transition from isolated to clustering low mobility with decreasing temperature. These slow clusters, whose sizes grow upon cooling, are also associated with concentration fluctuations, characterized by a Zr-enriched phase, with a composition CuZr2 . In addition, a structural analysis of slow clusters based on Voronoi tessellation evidences an increase with respect of the bulk system of the fraction of Cu atoms having a local icosahedral order. These results are in agreement with the consolidated scenario of the relevant role played by icosahedral order in the dynamic slowing-down in supercooled metal alloys.

  14. Vapour pressures and osmotic coefficients of binary mixtures containing alcohol and pyrrolidinium-based ionic liquids

    International Nuclear Information System (INIS)

    Calvar, N.; Domínguez, Á.; Macedo, E.A.

    2013-01-01

    Highlights: • Osmotic coefficients of alcohols with pyrrolidinium ILs 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. • The results have been interpreted in terms of interactions. -- Abstract: The osmotic and activity coefficients and vapour pressures of mixtures containing primary (1-propanol, 1-butanol and 1-pentanol) and secondary (2-propanol and 2-butanol) alcohols with pyrrolidinium-based ionic liquids (1-butyl-1-methyl pyrrolidinium bis(trifluoromethylsulfonyl)imide, C 4 MpyrNTf 2 , and 1-butyl-1-methyl pyrrolidinium trifluoromethanesulfonate, C 4 MpyrTFO) have been experimentally determined at T = 323.15 K. For the experimental measurements, the vapour pressure osmometry technique has been used. The results on the influence of the structure of the alcohol and of the anion of the ionic liquid on the determined properties have been discussed and compared with literature data. For the correlation of the osmotic coefficients obtained, the Extended Pitzer model of Archer and the Modified Non-Random Two Liquids model were applied. The mean molal activity coefficients and the excess Gibbs energy for the studied mixtures were calculated from the parameters obtained in the correlation

  15. Metal-organic frameworks based membranes for liquid separation.

    Science.gov (United States)

    Li, Xin; Liu, Yuxin; Wang, Jing; Gascon, Jorge; Li, Jiansheng; Van der Bruggen, Bart

    2017-11-27

    Metal-organic frameworks (MOFs) represent a fascinating class of solid crystalline materials which can be self-assembled in a straightforward manner by the coordination of metal ions or clusters with organic ligands. Owing to their intrinsic porous characteristics, unique chemical versatility and abundant functionalities, MOFs have received substantial attention for diverse industrial applications, including membrane separation. Exciting research activities ranging from fabrication strategies to separation applications of MOF-based membranes have appeared. Inspired by the marvelous achievements of MOF-based membranes in gas separations, liquid separations are also being explored for the purpose of constructing continuous MOFs membranes or MOF-based mixed matrix membranes. Although these are in an emerging stage of vigorous development, most efforts are directed towards improving the liquid separation efficiency with well-designed MOF-based membranes. Therefore, as an increasing trend in membrane separation, the field of MOF-based membranes for liquid separation is highlighted in this review. The criteria for judicious selection of MOFs in fabricating MOF-based membranes are given. Special attention is paid to rational design strategies for MOF-based membranes, along with the latest application progress in the area of liquid separations, such as pervaporation, water treatment, and organic solvent nanofiltration. Moreover, some attractive dual-function applications of MOF-based membranes in the removal of micropollutants, degradation, and antibacterial activity are also reviewed. Finally, we define the remaining challenges and future opportunities in this field. This Tutorial Review provides an overview and outlook for MOF-based membranes for liquid separations. Further development of MOF-based membranes for liquid separation must consider the demands of strict separation standards and environmental safety for industrial application.

  16. Metal–organic frameworks based membranes for liquid separation

    KAUST Repository

    Li, Xin

    2017-11-07

    Metal-organic frameworks (MOFs) represent a fascinating class of solid crystalline materials which can be self-assembled in a straightforward manner by the coordination of metal ions or clusters with organic ligands. Owing to their intrinsic porous characteristics, unique chemical versatility and abundant functionalities, MOFs have received substantial attention for diverse industrial applications, including membrane separation. Exciting research activities ranging from fabrication strategies to separation applications of MOF-based membranes have appeared. Inspired by the marvelous achievements of MOF-based membranes in gas separations, liquid separations are also being explored for the purpose of constructing continuous MOFs membranes or MOF-based mixed matrix membranes. Although these are in an emerging stage of vigorous development, most efforts are directed towards improving the liquid separation efficiency with well-designed MOF-based membranes. Therefore, as an increasing trend in membrane separation, the field of MOF-based membranes for liquid separation is highlighted in this review. The criteria for judicious selection of MOFs in fabricating MOF-based membranes are given. Special attention is paid to rational design strategies for MOF-based membranes, along with the latest application progress in the area of liquid separations, such as pervaporation, water treatment, and organic solvent nanofiltration. Moreover, some attractive dual-function applications of MOF-based membranes in the removal of micropollutants, degradation, and antibacterial activity are also reviewed. Finally, we define the remaining challenges and future opportunities in this field. This Tutorial Review provides an overview and outlook for MOF-based membranes for liquid separations. Further development of MOF-based membranes for liquid separation must consider the demands of strict separation standards and environmental safety for industrial application.

  17. Biodegradation of radioactive organic liquid waste from spent fuel reprocessing

    International Nuclear Information System (INIS)

    Ferreira, Rafael Vicente de Padua

    2008-01-01

    The research and development program in reprocessing of low burn-up spent fuel elements began in Brazil in 70's, originating the lab-scale hot cell, known as Celeste located at Nuclear and Energy Research Institute, IPEN - CNEN/SP. The program was ended at the beginning of 90's, and the laboratory was closed down. Part of the radioactive waste generated mainly from the analytical laboratories is stored waiting for treatment at the Waste Management Laboratory, and it is constituted by mixture of aqueous and organic phases. The most widely used technique for the treatment of radioactive liquid wastes is the solidification in cement matrix, due to the low processing costs and compatibility with a wide variety of wastes. However, organics are generally incompatible with cement, interfering with the hydration and setting processes, and requiring pre -treatment with special additives to stabilize or destroy them. The objective of this work can be divided in three parts: organic compounds characterization in the radioactive liquid waste; the occurrence of bacterial consortia from Pocos de Caldas uranium mine soil and Sao Sebastiao estuary sediments that are able to degrade organic compounds; and the development of a methodology to biodegrade organic compounds from the radioactive liquid waste aiming the cementation. From the characterization analysis, TBP and ethyl acetate were chosen to be degraded. The results showed that selected bacterial consortia were efficient for the organic liquid wastes degradation. At the end of the experiments the biodegradation level were 66% for ethyl acetate and 70% for the TBP. (author)

  18. Measurement of Vapor-Liquid Equilibrium for the DME + Diisopropyl Ether Binary System and Correlation for the DME + CO2 + Diisopropyl Ether Ternary System

    Science.gov (United States)

    Wu, Xianghong; Du, Xiaojie; Zheng, Danxing

    2010-02-01

    Vapor-liquid equilibrium (VLE) data have been measured with a static-type VLE apparatus for the dimethyl ether (DME)-diisopropyl ether (DIPE) binary system at five temperatures within the range from 293.04 K to 352.70 K. An isothermal correlation for the experimental data has been carried out based on the Peng-Robinson equation of state. The regressed binary interaction parameters were used to estimate VLE for the DME-CO2-DIPE ternary system at 298.15 K. From the study, it is demonstrated that DIPE is an excellent absorbent for separation in the DME synthesis process from syngas.

  19. Determination of Organic Pollutants in Small Samples of Groundwaters by Liquid-Liquid Extraction and Capillary Gas Chromatography

    DEFF Research Database (Denmark)

    Harrison, I.; Leader, R.U.; Higgo, J.J.W.

    1994-01-01

    A method is presented for the determination of 22 organic compounds in polluted groundwaters. The method includes liquid-liquid extraction of the base/neutral organics from small, alkaline groundwater samples, followed by derivatisation and liquid-liquid extraction of phenolic compounds after...... neutralisation. The extracts were analysed by capillary gas chromatography. Dual detection by flame Ionisation and electron capture was used to reduce analysis time....

  20. Nanoscience with liquid crystals from self-organized nanostructures to applications

    CERN Document Server

    Li, Quan

    2014-01-01

    This book focuses on the exciting topic of nanoscience with liquid crystals: from self-organized nanostructures to applications. The elegant self-organized liquid crystalline nanostructures, the synergetic characteristics of liquid crystals and nanoparticles, liquid crystalline nanomaterials, synthesis of nanomaterials using liquid crystals as templates, nanoconfinement and nanoparticles of liquid crystals are covered and discussed, and the prospect of fabricating functional materials is highlighted. Contributions, collecting the scattered literature of the field from leading and active player

  1. Liquid Crystals for Organic Field-Effect Transistors

    Science.gov (United States)

    O'Neill, Mary; Kelly, Stephen M.

    Columnar, smectic and lamellar polymeric liquid crystals are widely recognized as very promising charge-transporting organic semiconductors due to their ability to spontaneously self-assemble into highly ordered domains in uniform thin films over large areas. The transport properties of smectic and columnar liquid crystals are discussed in Chaps. 2 (10.1007/978-90-481-2873-0_2) and 3 (10.1007/978-90-481-2873-0_3). Here we examine their application to organic field-effect transistors (OFETs): after a short introduction in Sect. 9.1 we introduce the OFET configuration and show how the mobility is measured in Sect. 9.2. Section 9.3 discusses polymeric liquid crystalline semiconductors in OFETs. We review research that shows that annealing of polymers in a fluid mesophase gives a more ordered microcrystalline morphology on cooling than that kinetically determined by solution processing of the thin film. We also demonstrate the benefits of monodomain alignment and show the application of liquid crystals in light-emitting field-effect transistors. Some columnar and smectic phases are highly ordered with short intermolecular separation to give large π-π coupling. We discuss their use in OFETs in Sects. 9.4, and 9.5 respectively. Section 9.6 summarises the conclusions of the chapter.

  2. Recommended Vapor-Liquid Equilibrium Data. Part 3. Binary Alkanol-Aromatic Hydrocarbon Systems

    Science.gov (United States)

    Góral, Marian; Skrzecz, Adam; Bok, Andrzej; Ma̧czyński, Andrzej; Oracz, Paweł

    2004-09-01

    The recommended vapor-liquid equilibrium (VLE) data for mixtures of alkanols with benzene and alkylbenzenes have been selected after critical evaluation of all data reported in the open literature up to the middle of 2002. The evaluation procedure consisted in combining the thermodynamic consistency tests, data correlation, comparison with enthalpy of mixing data, and comparison of VLE data for various mixtures. The data were correlated with equations based on local compositions concept as well as with equation of state appended with chemical term (EoSC) proposed by Góral. The recommended data for 29 systems are presented in the form of individual pages containing tables of data, figures and auxiliary information. Each page corresponds to one system and contains three isotherms (spaced by at least 15 K) and one isobar (preferably at 101.32 kPa). Experimental gaps were completed with the predicted data.

  3. Measurements and equation-of-state modelling of thermodynamic properties of binary mixtures of 1-butyl-1-methylpyrrolidinium tetracyanoborate ionic liquid with molecular compounds

    International Nuclear Information System (INIS)

    Paduszyński, Kamil; Lukoshko, Elena V.; Królikowski, Marek; Domańska, Urszula

    2015-01-01

    Highlights: • Solubility data for 10 molecular solvents in [BMPYR][TCB] are reported. • Excess enthalpies for 7 molecular solvents in [BMPYR][TCB] are given. • Thermodynamic modelling with PC-SAFT equation of state is presented. - Abstract: This paper presents a comprehensive thermodynamic study of binary mixtures formed by 1-butyl-1-methylpyrrolidinium tetracyanoborate ionic liquid and hydrocarbons (n-heptane, benzene, toluene, ethylbenzene), thiophene and alcohols (methanol, ethanol, 1-propanol, 1-butanol, 1-hexanol, 1-octanol, 1-decanol and 1-dodecanol). An impact of chemical structure of molecular compounds on their solubility in the ionic liquid and excess enthalpies of mixing is discussed. Furthermore, modelling of the measured properties by using perturbed-chain statistical associating fluid theory (PC-SAFT) is presented. The theory is applied in both correlative and semi-predictive mode involving temperature-dependent binary corrections fitted to infinite dilution activity coefficients. Solubility curves and excess enthalpies are captured by the model with a reasonable accuracy, when semi-predictive strategy is adopted. Moreover, (liquid + liquid) equilibrium phase diagram in ternary system composed of the investigated ionic liquid, thiophene and n-heptane is predicted with PC-SAFT and then the calculations are confronted with available experimental data. The results indicate that the approach proposed can be perceived as an interesting tool for reproducing the thermodynamic behaviour disclosed by such complex systems as those based on ionic liquids

  4. Experimental determination of the (vapor + liquid) equilibrium data of binary mixtures of fatty acids by differential scanning calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Matricarde Falleiro, Rafael M. [LPT, Department of Chemical Processes (DPQ), School of Chemical Engineering, University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas, SP (Brazil); Meirelles, Antonio J.A. [EXTRAE, Department of Food Engineering (DEA), School of Food Engineering, University of Campinas (UNICAMP), P.O. Box 6121, 13083-862 Campinas, SP (Brazil); Kraehenbuehl, Maria A., E-mail: mak@feq.unicamp.b [LPT, Department of Chemical Processes (DPQ), School of Chemical Engineering, University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas, SP (Brazil)

    2010-01-15

    (Vapor + liquid) equilibrium (VLE) data for three binary mixtures of saturated fatty acids were obtained by differential scanning calorimetry (DSC). However, changes in the calorimeter pressure cell and the use of hermetic pans with holes (phi = 250 mm) in the lids were necessary to make it possible to apply this analytical technique, obtaining accurate results with smaller samples and shorter operational times. The systems evaluated in this study were: myristic acid (C{sub 14:0}) + palmitic acid (C{sub 16:0}), myristic acid (C{sub 14:0}) + stearic acid (C{sub 18:0}), and palmitic acid (C{sub 16:0}) + stearic acid (C{sub 18:0}), all measured at 50 mm Hg and with mole fractions between 0.0 and 1.0 in relation to the most volatile component of each diagram. The fugacity coefficients for the components in the vapor phase were calculated using the Hayden and O'Connell method [J.G. Hayden, J.P. O'Connell, Ind. Eng. Chem. Process Design Develop. 14 (3) (1975) 209-216] and the activity coefficients for the liquid phase were correlated with the traditional g{sup E} models (NRTL [H. Renon, J.M. Prausnitz, Aiche J. 14 (1968) 135-144], UNIQUAC [D.S. Abrams, J.M. Prausnitz, Aiche J. 21 (1975) 116-128], and Wilson [J.M. Prausnitz, N.L. Linchtenthaler, E.G. Azevedo, Molecular Thermodynamics of Fluid-phase Equilibria, River-Prentice Hall, Upper Saddle, 1999]). The sets of parameters were then compared in order to determine which adjustments best represented the VLE.

  5. The boundary integral theory for slow and rapid curved solid/liquid interfaces propagating into binary systems.

    Science.gov (United States)

    Galenko, Peter K; Alexandrov, Dmitri V; Titova, Ekaterina A

    2018-02-28

    The boundary integral method for propagating solid/liquid interfaces is detailed with allowance for the thermo-solutal Stefan-type models. Two types of mass transfer mechanisms corresponding to the local equilibrium (parabolic-type equation) and local non-equilibrium (hyperbolic-type equation) solidification conditions are considered. A unified integro-differential equation for the curved interface is derived. This equation contains the steady-state conditions of solidification as a special case. The boundary integral analysis demonstrates how to derive the quasi-stationary Ivantsov and Horvay-Cahn solutions that, respectively, define the paraboloidal and elliptical crystal shapes. In the limit of highest Péclet numbers, these quasi-stationary solutions describe the shape of the area around the dendritic tip in the form of a smooth sphere in the isotropic case and a deformed sphere along the directions of anisotropy strength in the anisotropic case. A thermo-solutal selection criterion of the quasi-stationary growth mode of dendrites which includes arbitrary Péclet numbers is obtained. To demonstrate the selection of patterns, computational modelling of the quasi-stationary growth of crystals in a binary mixture is carried out. The modelling makes it possible to obtain selected structures in the form of dendritic, fractal or planar crystals.This article is part of the theme issue 'From atomistic interfaces to dendritic patterns'. © 2018 The Author(s).

  6. Predicting the vapor–liquid equilibrium of hydrocarbon binary mixtures and polymer solutions using predetermined pure component parameters

    International Nuclear Information System (INIS)

    Ryu, Sang Kyu; Bae, Young Chan

    2012-01-01

    Highlights: ► We have developed a close-packed lattice model for chain-like molecules. ► The chain length dependence determined from Monte-Carlo simulation results were used. ► To consider the volume effect, hole theory and two mixing steps were used. ► A lattice fluid equation of state (LF-EoS) is presented for VLE of hydrocarbon mixtures. ► Correlation of pure polymer solutions data with use of the LF-EoS. - Abstract: In our previous work, a new close-packed lattice model was developed for multi-component system of chain fluids with taking the chain length dependence from Monte-Carlo (MC) simulation results into account. In this work, we further extend this model to describe pressure, volume and temperature (PVT) properties, such as vapor–liquid equilibrium (VLE). To consider the effect of pressure on the phase behavior, the volume change effect is taken into account by introducing holes into the incompressible lattice model with two mixing steps. The corresponding new lattice fluid equation of state (LF-EoS) is applied to predict the thermodynamic properties of pure and binary mixtures of hydrocarbons as well as pure polymer solutions. The results of the proposed model are compared to other predictive approaches based on VLE calculations using predetermined pure model parameters without further adjustment. Thermodynamic properties predicted using the method developed in this work are consistent with the experimental data.

  7. The solid-liquid phase diagrams of binary mixtures of even saturated fatty acids differing by six carbon atoms

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Mariana C. [LPT, Department of Chemical Process, School of Chemical Engineering, University of Campinas, UNICAMP, P.O. Box 6066, 13083-970, Campinas-SP (Brazil); EXTRAE, Department of Food Engineering, Faculty of Food Engineering, University of Campinas, UNICAMP, P.O. Box 6121, 13083-862, Campinas-SP (Brazil); CICECO, Departamento de Quimica da Universidade de Aveiro, 3810-193 Aveiro (Portugal); Rolemberg, Marlus P. [DETQI, Department of Chemical Technology, Federal University of Maranhao (UFMA), Sao Luis, Maranhao (Brazil); Meirelles, Antonio J.A. [EXTRAE, Department of Food Engineering, Faculty of Food Engineering, University of Campinas, UNICAMP, P.O. Box 6121, 13083-862, Campinas-SP (Brazil); Coutinho, Joao A.P. [CICECO, Departamento de Quimica da Universidade de Aveiro, 3810-193 Aveiro (Portugal); Kraehenbuehl, M.A., E-mail: mak@feq.unicamp.br [LPT, Department of Chemical Process, School of Chemical Engineering, University of Campinas, UNICAMP, P.O. Box 6066, 13083-970, Campinas-SP (Brazil)

    2009-12-10

    This study was aimed at using the solid-liquid phase diagrams for three binary mixtures of saturated fatty acids, especially the phase transitions below the liquidus line. These mixtures are compounded by caprylic acid (C{sub 8:0}) + myristic acid (C{sub 14:0}), capric acid (C{sub 10:0}) + palmitic acid (C{sub 16:0}), lauric acid (C{sub 12:0}) + stearic acid (C{sub 18:0}), differing by six carbon atoms between carbon chains. The phase diagrams were obtained by differential scanning calorimetry (DSC). The polarized light microscopy was used to complement the characterization for a full grasp of the phase diagram. Not only do these phase diagrams present peritectic and eutectic reactions, but also metatectic reactions, due to solid-solid phase transitions common, in fatty acids. These findings have contributed to the elucidation of the phase behavior of these important biochemical molecules with implications in various industrial production.

  8. The boundary integral theory for slow and rapid curved solid/liquid interfaces propagating into binary systems

    Science.gov (United States)

    Galenko, Peter K.; Alexandrov, Dmitri V.; Titova, Ekaterina A.

    2018-01-01

    The boundary integral method for propagating solid/liquid interfaces is detailed with allowance for the thermo-solutal Stefan-type models. Two types of mass transfer mechanisms corresponding to the local equilibrium (parabolic-type equation) and local non-equilibrium (hyperbolic-type equation) solidification conditions are considered. A unified integro-differential equation for the curved interface is derived. This equation contains the steady-state conditions of solidification as a special case. The boundary integral analysis demonstrates how to derive the quasi-stationary Ivantsov and Horvay-Cahn solutions that, respectively, define the paraboloidal and elliptical crystal shapes. In the limit of highest Péclet numbers, these quasi-stationary solutions describe the shape of the area around the dendritic tip in the form of a smooth sphere in the isotropic case and a deformed sphere along the directions of anisotropy strength in the anisotropic case. A thermo-solutal selection criterion of the quasi-stationary growth mode of dendrites which includes arbitrary Péclet numbers is obtained. To demonstrate the selection of patterns, computational modelling of the quasi-stationary growth of crystals in a binary mixture is carried out. The modelling makes it possible to obtain selected structures in the form of dendritic, fractal or planar crystals. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

  9. Molecular Factors Governing the Liquid and Glassy States Recrystallization of Celecoxib in Binary Mixtures with Excipients of Different Molecular Weights.

    Science.gov (United States)

    Grzybowska, K; Chmiel, K; Knapik-Kowalczuk, J; Grzybowski, A; Jurkiewicz, K; Paluch, M

    2017-04-03

    Transformation of poorly water-soluble crystalline pharmaceuticals to the amorphous form is one of the most promising strategies to improve their oral bioavailability. Unfortunately, the amorphous drugs are usually thermodynamically unstable and may quickly return to their crystalline form. A very promising way to enhance the physical stability of amorphous drugs is to prepare amorphous compositions of APIs with certain excipients which can be characterized by significantly different molecular weights, such as polymers, acetate saccharides, and other APIs. By using different experimental techniques (broadband dielectric spectroscopy, differential scanning calorimetry, X-ray diffraction) we compare the effect of adding the large molecular weight polymer-polyvinylpyrrolidone (PVP K30)-and the small molecular weight excipient-octaacetylmaltose (acMAL)-on molecular dynamics as well as the tendency to recrystallization of the amorphous celecoxib (CEL) in the amorphous solid dispersions: CEL-PVP and CEL-acMAL. The physical stability investigations of the binary systems were performed in both the supercooled liquid and glassy states. We found that acMAL is a better inhibitor of recrystallization of amorphous CEL than PVP K30 deep in the glassy state (T T g ). We discuss molecular factors governing the recrystallization of amorphous CEL in examined solid dispersions.

  10. Treatment of radioactive organic liquid waste containing TBP and dodecane

    International Nuclear Information System (INIS)

    Endo, L.S.

    1991-02-01

    It was studied an alternative for the treatment of radioactive liquid wastes containing organic solvents, particularly spent TBP and its diluent dodecane. The proposed method is divided in two distinct steps: separation of TBP and dodecane by treating the organic solution with concentrate phosphoric acid and immobilization of separated TBP by incorporating it into PVC polymers. It was determined the operational conditions for both steps such as quantity of H sub(3)PO sub(4) necessary to form the adduct, PVC to TBP proportion, temperature of solidification, adequate type of PVC and others. (author)

  11. Phase Diagram of Binary Mixture E7:TM74A Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Serafin Delica

    1999-12-01

    Full Text Available Although there are many liquid crystalline materials, difficulty is often experienced in obtaining LCs that are stable and has a wide mesophase range. In this study, mixtures of two different LCs were used to formulate a technologically viable LC operating at room temperature. Nematic E7(BDH and cholesteric TM74A were mixed at different weight ratios at 10% increments. Transition temperatures were determined via Differential Scanning Calorimetry and phase identification was done using Optical Polarizing Microscopy. The phase diagram showed the existence of three different phases for the temperature range of 10-80°C. Mixtures with 0-20% E7 exhibit only the cholesteric-nematic mesophase, which could be due to the mixture's being largely TM74A and its behavior in the temperature range considered is similar to the behavior of pure TM74A. With an increase in the concentration of E7, the smectic phase of the pure cholesteric was enhanced, as seen from the increased transition to the cholesteric-nematic phase and a broader smectic range. The cholesteric-nematic to isotropic transition increased as the nematic concentration increases, following the behavior expected from LC mixtures. For mixtures that are largely nematic (more than 50% E7, the smectic phase has vanished and the cholesteric-nematic phase dominated from 30-60°C.

  12. (Vapour + liquid) equilibria in the ternary system (acetonitrile + n-propanol + ethylene glycol) and corresponding binary systems at 101.3 kPa

    International Nuclear Information System (INIS)

    Qian, Guo-fei; Liu, Wen; Wang, Li-tao; Wang, Dao-cai; Song, Hang

    2013-01-01

    Highlights: • We adopted a new extractive solvent “ethylene glycol” to separate the mixture. • We measured the VLE data of binary system n-propanol + ethylene glycol. • We reinforce the VLE data of binary system acetonitrile + ethylene glycol. • We predicted the VLE data for the ternary system successfully. -- Abstract: Experimental isobaric (Vapour + liquid) equilibrium (VLE) data at 101.3 kPa were determined for three binary systems, viz. {acetonitrile (1) + n-propanol (2)}, {acetonitrile (1) + ethylene glycol (3)} and {n-propanol (2) + ethylene glycol (3)} and for one ternary system {acetonitrile (1) + n-propanol (2) + ethylene glycol (3)}. The measurements were performed using an improved Rose equilibrium still. The VLE data of the binary systems passed thermodynamic consistency tests and were correlated by Wilson and NRTL models. Good results were achieved. The phase behaviour of the ternary system was predicted directly by the parameters of two models obtained from the experimental binary results. The results showed an excellent agreement with experimental values

  13. Study of dynamic properties for NaK binary liquid alloy using first principle and theoretical predictions of isothermal bulk modulus using elastic constants

    Energy Technology Data Exchange (ETDEWEB)

    Thakur, Anil, E-mail: anil-t2001@yahoo.com; Kashyap, Rajinder [Department of Physics, Govt. P. G. College Solan-173212, Himachal Pradesh (India); Sharma, Nalini; Ahluwalia, P. K. [Department of Physics, Himachal Pradesh University Shimla-171005, Himachal Pradesh (India)

    2014-04-24

    Study of atomic motions in the binary liquid alloys have been studied in terms of dynamical variables like velocity auto correlation, power spectrum and mean square displacement. Elastic constants and isothermal bulk modulus have been calculated to see the effeectiveness of ab-initio pseudopotentials which has been used in this paper. This appraoch is free from the fitting parameters and results obtained using this appraoch have been found very close to the average values.

  14. Self-organization of anisotropic and binary colloids in thermo-switchable 1D microconfinement

    NARCIS (Netherlands)

    De Folter, Julius W J; Liu, Ping; Jiang, Lingxiang; Kuijk, Anke; Bakker, Henriëtte E.; Imhof, Arnout; Van Blaaderen, Alfons; Huang, Jianbin; Kegel, Willem K.; Philipse, Albert P.; Petukhov, Andrei V.

    2015-01-01

    Anisotropic and binary colloids self-assemble into a variety of novel supracolloidal structures within the thermo-switchable confinement of molecular microtubes, achieving structuring at multiple length scales and dimensionalities. The multistage self-assembly strategy involving hard colloidal

  15. Studies on thermo-acoustic parameters in binary liquid mixtures of phosphinic acid (Cyanex 272) with different diluents at temperature 303.15 K: an ultrasonic study

    International Nuclear Information System (INIS)

    Kamila, Susmita; Jena, Satyaban; Swain, Bipin Bihari

    2005-01-01

    Acoustical investigations for the binary mixtures of phosphinic acid (Cyanex 272), used as liquid-liquid extractant, have been made in various diluents such as benzene, toluene, and xylene from ultrasonic velocity and density measurements at temperature 303.15 K and atmospheric pressure. This study involves evaluation of different thermo-acoustic parameters along with the excess properties, which are interpreted in the light of molecular interaction between a polar extractant, Cyanex 272 with non-polar diluent, benzene and weakly polar diluents, toluene and xylene. The excess values are correlated using Redlich-Kister polynomial equation, and corresponding adjustable parameters are derived

  16. Emulsion Liquid Membrane Technology in Organic Acid Purification

    International Nuclear Information System (INIS)

    Norela Jusoh; Norasikin Othman; Nur Alina Nasruddin

    2016-01-01

    Emulsion Liquid Membrane (ELM) process have shown a great potential in wide application of industrial separations such as in removal of many chemicals, organic compounds, metal ions, pollutants and biomolecules. This system promote many advantages including simple operation, high selectivity, low energy requirement, and single stage extraction and stripping process. One potential application of ELM is in the purification of succinic acid from fermentation broth. This study outline steps for developing emulsion liquid membrane process in purification of succinic acid. The steps include liquid membrane formulation, ELM stability and ELM extraction of succinic acid. Several carrier, diluent and stripping agent was screened to find appropriate membrane formulation. After that, ELM stability was investigated to enhance the recovery of succinic acid. Finally, the performance of ELM was evaluated in the extraction process. Results show that formulated liquid membrane using Amberlite LA2 as carrier, palm oil as diluent and sodium carbonate, Na 2 CO 3 as stripping agent provide good performance in purification. On the other hand, the prepared emulsion was observed to be stable up to 1 hour and sufficient for extraction process. In conclusion, ELM has high potential to purify succinic acid from fermentation broth. (author)

  17. Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the (solid + liquid) equilibrium and the (vapour + liquid) equilibrium. The modified UNIFAC (Do) model characterization

    Energy Technology Data Exchange (ETDEWEB)

    Domanska, Urszula [Faculty of Chemistry, Physical Chemistry Division, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland)]. E-mail: Ula@ch.pw.edu.pl; Lachwa, Joanna [Faculty of Chemistry, Physical Chemistry Division, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland)

    2005-07-15

    The (solid + liquid) equilibrium (SLE) of eight binary systems containing N-methyl-2-pyrrolidinone (NMP) with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) were carried out by using a dynamic method from T = 200 K to the melting point of the NMP. The isothermal (vapour + liquid) equilibrium data (VLE) have been measured for three binary mixtures of NMP with 2-propanone, 3-pentanone and 2-hexanone at pressure range from p = 0 kPa to p = 115 kPa. Data were obtained at the temperature T = 333.15 K for the first system and at T = 373.15 K for the second two systems. The experimental results of SLE have been correlated using the binary parameters Wilson, UNIQUAC ASM and two modified NRTL equations. The root-mean-square deviations of the solubility temperatures for all the calculated values vary from (0.32 K to 0.68 K) and depend on the particular equation used. The data of VLE were correlated with one to three parameters in the Redlich-Kister expansion. Binary mixtures of NMP with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) have been investigated in the framework of the modified UNIFAC (Do) model. The reported new interaction parameters for NMP-group (c-CONCH{sub 3}) and carbonyl group ( C=O) let the model consistently described a set of thermodynamic properties, including (solid + liquid) equilibrium (vapour + liquid) equilibrium, excess Gibbs energy and molar excess enthalpies of mixing. Our experimental and literature data of binary mixtures containing NMP and ketones were compared with the results of prediction with the modified UNIFAC (Do) model.

  18. Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the (solid + liquid) equilibrium and the (vapour + liquid) equilibrium. The modified UNIFAC (Do) model characterization

    International Nuclear Information System (INIS)

    Domanska, Urszula; Lachwa, Joanna

    2005-01-01

    The (solid + liquid) equilibrium (SLE) of eight binary systems containing N-methyl-2-pyrrolidinone (NMP) with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) were carried out by using a dynamic method from T = 200 K to the melting point of the NMP. The isothermal (vapour + liquid) equilibrium data (VLE) have been measured for three binary mixtures of NMP with 2-propanone, 3-pentanone and 2-hexanone at pressure range from p = 0 kPa to p = 115 kPa. Data were obtained at the temperature T = 333.15 K for the first system and at T = 373.15 K for the second two systems. The experimental results of SLE have been correlated using the binary parameters Wilson, UNIQUAC ASM and two modified NRTL equations. The root-mean-square deviations of the solubility temperatures for all the calculated values vary from (0.32 K to 0.68 K) and depend on the particular equation used. The data of VLE were correlated with one to three parameters in the Redlich-Kister expansion. Binary mixtures of NMP with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) have been investigated in the framework of the modified UNIFAC (Do) model. The reported new interaction parameters for NMP-group (c-CONCH 3 ) and carbonyl group ( C=O) let the model consistently described a set of thermodynamic properties, including (solid + liquid) equilibrium (vapour + liquid) equilibrium, excess Gibbs energy and molar excess enthalpies of mixing. Our experimental and literature data of binary mixtures containing NMP and ketones were compared with the results of prediction with the modified UNIFAC (Do) model

  19. Binary and Ternary Vapor-Liquid Equilibrium Data of the System (Ethylbenzene+Styrene+4-Methyl-N-butylpyridinium Tetrafluoroborate) at Vacuum Conditions and Liquid-Liquid Equilibrium Data of Their Binary Systems

    NARCIS (Netherlands)

    Jongmans, Mark; Raijmakers, M.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    Ethylbenzene and styrene are currently separated by ordinary fractional distillation, which is challenging due the low relative volatility of this mixture of 1.3 to 1.4. Extractive distillation is a promising alternative to save capital and operational expenditures. Recently, ionic liquids (ILs)

  20. Thermochemical Energy Storage through De/Hydrogenation of Organic Liquids: Reactions of Organic Liquids on Metal Hydrides.

    Science.gov (United States)

    Ulmer, Ulrich; Cholewa, Martin; Diemant, Thomas; Bonatto Minella, Christian; Dittmeyer, Roland; Behm, R Jürgen; Fichtner, Maximilian

    2016-06-08

    A study of the reactions of liquid acetone and toluene on transition metal hydrides, which can be used in thermal energy or hydrogen storage applications, is presented. Hydrogen is confined in TiFe, Ti0.95Zr0.05Mn1.49V0.45Fe0.06 ("Hydralloy C5"), and V40Fe8Ti26Cr26 after contact with acetone. Toluene passivates V40Fe8Ti26Cr26 completely for hydrogen desorption while TiFe is only mildly deactivated and desorption is not blocked at all in the case of Hydralloy C5. LaNi5 is inert toward both organic liquids. Gas chromatography (GC) investigations reveal that CO, propane, and propene are formed during hydrogen desorption from V40Fe8Ti26Cr26 in liquid acetone, and methylcyclohexane is formed in the case of liquid toluene. These reactions do not occur if dehydrogenated samples are used, which indicates an enhanced surface reactivity during hydrogen desorption. Significant amounts of carbon-containing species are detected at the surface and subsurface of acetone- and toluene-treated V40Fe8Ti26Cr26 by X-ray photoelectron spectroscopy (XPS). The modification of the surface and subsurface chemistry and the resulting blocking of catalytic sites is believed to be responsible for the containment of hydrogen in the bulk. The surface passivation reactions occur only during hydrogen desorption of the samples.

  1. Reactive Uptake of Ammonia and Formation of Organic Nitrogen Species for Non-Liquid/Liquid Secondary Organic Material

    Science.gov (United States)

    Martin, S. T.; Li, Y.; Liu, P.

    2015-12-01

    Formation of ammonium and organic nitrogen (ON) species was studied for secondary organic material (SOM) of variable viscosity, ranging from non-liquid to liquid physical states. The SOM was produced as particles of 50 to 150 nm in diameter in aerosol form from six precursors, including three terpenoid and three aromatic species. The viscosity of the hygroscopic SOM was adjusted by exposure to relative humidity (RH) from 90% RH in steps of 10% at 293 ± 2 K. The aerosol was subsequently exposed to 5 ppm NH3 for mean reaction times of 30, 370, or 5230 s. Ammonium and ON were characterized by high-resolution time-of-flight aerosol mass spectrometry (HR-ToF-AMS). The ammonium-to-organic ratio of mass concentrations (MNH4/MOrg) in the particles increased monotonically from 60%. The threshold RH for the switchover from kinetically controlled regime to a non-kinetically-controlled one was thus different between formation of ammonium and ON. This difference suggests that water may play a role in the slow reactions of ON formation as a reactant or a catalyst, in addition to affecting the reactant diffusion as in the fast reaction of ammonium formation. The implication is that formation of ammonium salts and organic nitrogen species by certain SOMs should be treated separately in chemical transport models to reflect the different roles of water that may affect the phase state of the SOMs or may act as a reactant or a catalyst.

  2. Effects of capillarity and heterogeneity on flow of organic liquid in soil

    NARCIS (Netherlands)

    Wipfler, E.L.

    2003-01-01

    Contamination of groundwater by organic liquids, such as gasoline, fuel oils and chlorinated hydrocarbons, forms a serious treat to subsurface water resources. These liquids have a low miscibility with water and move as a discrete liquid phase. A small part of the liquid may dissolve in water and

  3. [Vapor-liquid equilibria for multicomponent organic solvents].

    Science.gov (United States)

    Ishidao, Toru; Ishimatsu, Sumiyo; Hori, Hajime

    2004-09-01

    Most organic solvents used in the workplace are mixed solvents consisting of several components. It is therefore very important to know the equilibrated vapor concentrations in order to control the work environment. In this study, the vapor-liquid equilibrium for multicomponent organic solvents is estimated by introducing the activity coefficients, which are calculated with the UNIFAC (Universal Quasichemical Functional Group Activity Coefficient) model. For two-component solvents, that is, the toluene-methanol and o-xylene-methanol systems, the calculated values of the vapor fraction and the equilibrated vapor concentrations are in good agreement with the reference ones. For three- or four-component solvents that are used as thinners, the calculated values are also generally in good agreement with the reference ones.

  4. Isobaric vapor-liquid equilibrium for binary system of methyl caprylate + methyl caprate at 2, 6 and 10 kPa

    International Nuclear Information System (INIS)

    Ke, Wenjing; Ding, Hui; Gao, Yujie; Liu, Shejiang; Xing, Zhongpeng; Gui, Jianzhou; Liu, Dan

    2017-01-01

    Highlights: • The VLE data for binary system methyl caprylate and methyl caprate were measured. • The Wilson, NRTL and UNIFAC models were used to reproduce the experimental values. • The COSMO-SAC model was applied to predict the VLE of the binary system. • All four models provided great reproductions, especially the NRTL model. - Abstract: The isobaric vapor-liquid equilibrium data for the binary system methyl caprylate (1) + methyl caprate (2) at 2, 6 and 10 kPa were measured with a modified Othmer still. All the experimental data were verified to be thermodynamically consistent according to the Van Ness test method. Two activity coefficient models (Wilson and NRTL) were applied to regress the experimental values. Furthermore, the group contribution method (UNIFAC) and the COSMO-SAC model were also employed to predict vapor-liquid equilibrium data. The four models reproduced the experimental values very well, while the NRTL model provided a slightly better result than the other three models, with the root mean square deviations of temperature and vapor-phase mole fraction less than 0.36 K and 0.0042, respectively.

  5. Excess enthalpies of mixing, effect of temperature and composition on the density, and viscosity and thermodynamic properties of binary systems of {ammonium-based ionic liquid + alkanediol}.

    Science.gov (United States)

    Domańska, Urszula; Papis, Paulina; Szydłowski, Jerzy; Królikowska, Marta; Królikowski, Marek

    2014-11-06

    In the present work the excess enthalpies of butyltrimethylammonium bis(trifluoromethyl-sulfonyl)imide, [N1114][NTf2], with 1,2-propanediol, or 1,2-butanediol, or 2,3-butanediol have been measured at T = 298.15 K. Additionally, the density, ρ, and dynamic viscosity, η, for binary solutions containing ionic liquids (ILs) and alkanedioles, {butyltrimethylammonium bis(trifluoromethyl-sulfonyl)imide, [N1114][NTf2], + 1,2-propanediol, 1,2-butanediol, 2,3-butanediol} and {(2-hydroxyethyl)trimethylammonium bis(trifluoro-methylsulfonyl)imide, [N1112OH][NTf2], + 1,2-propanediol, 1,3-propanediol, 1,5-pentanediol}, at wide temperature and composition ranges at ambient pressure have been investigated. From experimental values of the density, ρ, and dynamic viscosity, η, the excess molar volumes, V(E), and dynamic viscosity deviations, Δη, were calculated and correlated using the Redlich-Kister polynomial equation. The temperature dependence of density and viscosity for the tested binary systems was described by an empirical second-order polynomial and by the Vogel-Fucher-Tammann equation, respectively. The variation of density and viscosity as a function of composition has been described by the polynomial correlations. Comparison of the experimental results for the binary mixtures tested in this work allows us to determine the influence of alkanediol carbon chain length, the position of the hydroxyl group in the alcohol, and the influence of the structure of the cation of the ionic liquid on the presented properties.

  6. The potential of incorporation of binary salts and ionic liquid in P(VP-co-VAc) gel polymer electrolyte in electrochemical and photovoltaic performances.

    Science.gov (United States)

    Ming, Ng Hon; Ramesh, S; Ramesh, K

    2016-06-08

    In this study, dye-sensitized solar cells (DSSCs) has been assembled with poly(1-vinylpyrrolidone-co-vinyl acetate) (P(VP-co-VAc)) gel polymer electrolytes (GPEs) which have been incorporated with binary salt and an ionic liquid. The potential of this combination was studied and reported. The binary salt system GPEs was having ionic conductivity and power conversion efficiency (PCE) that could reach up to 1.90 × 10(-3) S cm(-1) and 5.53%, respectively. Interestingly, upon the addition of the ionic liquid, MPII into the binary salt system the ionic conductivity and PCE had risen steadily up to 4.09 × 10(-3) S cm(-1) and 5.94%, respectively. In order to know more about this phenomenon, the electrochemical impedance studies (EIS) of the GPE samples have been done and reported. Fourier transform infrared studies (FTIR) and thermogravimetric analysis (TGA) have also been studied to understand more on the structural and thermal properties of the GPEs. The Nyquist plot and Bodes plot studies have been done in order to understand the electrochemical properties of the GPE based DSSCs and Tafel polarization studies were done to determine the electrocatalytic activity of the GPE samples.

  7. Binary molecular layers of C-60 and copper phthalocyanine on Au(111) : Self-organized nanostructuring

    NARCIS (Netherlands)

    Stöhr, Meike; Wagner, Thorsten; Gabriel, Markus; Weyers, Bastian; Möller, Rolf

    The binary molecular system of C-60 and copper phthalocyanine(CuPc) molecules has been investigated by scanning tunneling microscopy (STM) at room temperature and at 50 K. As substrate Au(111) was chosen. When C-60 and CuPc molecules are sequentially deposited, it is found that well-ordered domains

  8. Isothermal vapour-liquid equilibrium data for the binary systems of (CHF3 or C2F6) and n-heptane

    International Nuclear Information System (INIS)

    Williams-Wynn, Mark D.; Naidoo, Paramespri; Ramjugernath, Deresh

    2016-01-01

    Highlights: • Isothermal static-analytic and static-synthetic phase equilibrium measurements. • Binary VLE data for (CHF3 or C 2 F 6 ) + n-heptane. • Thermodynamic models were fitted to the experimental data. • Critical locus estimation for the systems. - Abstract: Isothermal vapour-liquid equilibrium (VLE) values for two binary systems; trifluoromethane and n-heptane at temperatures between T = (272.9 and 313.2) K, and hexafluoroethane and n-heptane at temperatures between T = (293.0 and 313.2) K were measured with a static-analytic apparatus. Bubble pressures at temperatures between T = (293.0 and 313.2) K, at several compositions, were also measured with a variable-volume static-synthetic apparatus. Vapour-liquid-liquid equilibrium (VLLE) was found to occur for certain isotherms for both of the systems. The PR EOS, with the Mathias-Copeman (MC) alpha function, combined with either the classical mixing rule or the Wong-Sandler (WS) mixing rule was used to correlate the experimental results. Either the NRTL or the UNIQUAC activity coefficient model was used within the WS mixing rule. The indirect extended scaling laws of Ungerer et al. were used to extrapolate critical loci from the experimental coexistence data, and the calculation procedure of Heidemann and Khalil was employed to calculate the mixture critical locus curves at temperatures close to the refrigerant critical temperatures. At lower temperatures on the mixture critical curve, gas-liquid critical points occurred, whereas, at higher temperatures, the critical points occurred along a liquid-liquid locus curve. The two systems were categorised according to the van Konynenburg and Scott classification.

  9. Solid–liquid equilibria measurements for binary systems comprising (butyric acid + propionic or pentanoic acid) and (heptanoic acid + propionic or butyric or pentanoic or hexanoic acid)

    International Nuclear Information System (INIS)

    Tadie, Margreth; Bahadur, Indra; Reddy, Prashant; Ngema, Peterson Thokozani; Naidoo, Paramespri; Deenadayalu, Nirmala; Ramjugernath, Deresh

    2013-01-01

    Highlights: ► Binary SLE measurement for butyric acid + {propionic or pentanoic acid}. ► Binary SLE measurements for heptanoic acid + {propionic or butyric or pentanoic or hexanoic acid}. ► Measurements undertaken using a synthetic method using two new apparati. - Abstract: Solid–liquid equilibria (SLE) measurements have been undertaken for carboxylic acid systems comprising (butyric acid + propionic or pentanoic acid) and (heptanoic acid + propionic or butyric or pentanoic or hexanoic acid) via a synthetic method using two complementary pieces of equipment. The measurements have been obtained at atmospheric pressure and over the temperature range of (225.6 to 270.7) K. All the acid mixtures exhibit a eutectic point in their respective phase diagrams, which have been determined experimentally. The estimated maximum uncertainties in the reported temperatures and compositions are ±1 K and ±0.0006 mole fraction, respectively. The experimental data have been satisfactorily correlated with the Wilson and NRTL activity coefficient models.

  10. Pyridinium ionic liquid-based liquid-solid extraction of inorganic and organic iodine from Laminaria.

    Science.gov (United States)

    Peng, Li-Qing; Yu, Wen-Yan; Xu, Jing-Jing; Cao, Jun

    2018-01-15

    A simple, green and effective extraction method, namely, pyridinium ionic liquid- (IL) based liquid-solid extraction (LSE), was first designed to extract the main inorganic and organic iodine compounds (I - , monoiodo-tyrosine (MIT) and diiodo-tyrosine (DIT)). The optimal extraction conditions were as follows: ultrasonic intensity 100W, IL ([EPy]Br) concentration 200mM, extraction time 30min, liquid/solid ratio 10mL/g, and pH value 6.5. The morphologies of Laminaria were studied by scanning electron microscopy and transmission electron microscopy. The recovery values of I - , MIT and DIT from Laminaria were in the range of 88% to 94%, and limits of detection were in the range of 59.40 to 283.6ng/g. The proposed method was applied to the extraction and determination of iodine compounds in three Laminaria. The results showed that IL-based LSE could be a promising method for rapid extraction of bioactive iodine from complex food matrices. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Liquid-liquid phase separation in particles containing secondary organic material free of inorganic salts

    Science.gov (United States)

    Song, Mijung; Liu, Pengfei; Martin, Scot T.; Bertram, Allan K.

    2017-09-01

    Particles containing secondary organic material (SOM) are ubiquitous in the atmosphere and play a role in climate and air quality. Recently, research has shown that liquid-liquid phase separation (LLPS) occurs at high relative humidity (RH) (greater than ˜ 95 %) in α-pinene-derived SOM particles free of inorganic salts, while LLPS does not occur in isoprene-derived SOM particles free of inorganic salts. We expand on these findings by investigating LLPS at 290 ± 1 K in SOM particles free of inorganic salts produced from ozonolysis of β-caryophyllene, ozonolysis of limonene, and photo-oxidation of toluene. LLPS was observed at greater than ˜ 95 % RH in the biogenic SOM particles derived from β-caryophyllene and limonene while LLPS was not observed in the anthropogenic SOM particles derived from toluene. This work combined with the earlier work on LLPS in SOM particles free of inorganic salts suggests that the occurrence of LLPS in SOM particles free of inorganic salts is related to the oxygen-to-carbon elemental ratio (O : C) of the organic material. These results help explain the difference between the hygroscopic parameter κ of SOM particles measured above and below water saturation in the laboratory and field, and have implications for predicting the cloud condensation nucleation properties of SOM particles.

  12. Isothermal (vapour + liquid) equilibria for (nitromethane or nitroethane + 1,4-dichlorobutane) binary systems at temperatures between (343.15 and 363.15) K

    International Nuclear Information System (INIS)

    Teodorescu, Mariana; Dragoescu, Dana; Gheorghe, Daniela

    2013-01-01

    Graphical abstract: Isothermal (vapour + liquid) equilibrium data for (nitromethane (1) + 1,4-dichlorobutane (2)) system at 343.15 K (●, ○), 353.15 K (▴, △), and 363.15 K (■, □); solid points: liquid phase, open points: vapour phase; (––) 4th order Redlich-Kister correlation; (--) Modified UNIFAC (Do) prediction. Highlights: ► Isothermal VLE data were reported for two binary systems at 3 temperatures. ► Correlation of VLE data was made with Redlich–Kister, Wilson, NRTL, UNIQUAC models. ► Thermodynamic consistency was check by Van Ness test proving very good VLE data. ► Modified UNIFAC (Do) model has to be improved for these types of VLE and G E systems. - Abstract: Isothermal (vapor + liquid) equilibrium data are reported for the binary mixtures containing (nitromethane or nitroethane + 1,4-dichlorobutane) at three temperatures, (343.15, 353.15, 363.15) K. The measurements were performed by means of an ebulliometer which allows sampling from both phases in equilibrium. The experimental data were correlated using the Redlich–Kister, Wilson, NRTL and UNIQUAC excess Gibbs energy models by means of maximum likelihood method, taking into account the vapour phase imperfection in terms of the second virial coefficients. Both systems are zeotropic and show positive deviations from ideal behaviour. The experimental VLE data are analysed in terms of the Modified UNIFAC (Do) model.

  13. Thermodynamic study of binary mixtures of 1-butyl-1-methylpyrrolidinium dicyanamide ionic liquid with molecular solvents: new experimental data and modeling with PC-SAFT equation of state.

    Science.gov (United States)

    Paduszyński, Kamil; Lukoshko, Elena Vadimovna; Królikowski, Marek; Domańska, Urszula; Szydłowski, Jerzy

    2015-01-15

    This work is concerned with thermodynamic properties of binary mixtures composed of 1-butyl-1-methylpyrrolidinium dicyanamide ionic liquid (IL) and the following molecular solvents: n-heptane, benzene, toluene, ethylbenzene, thiophene, 1-butanol, 1-hexanol, and 1-octanol. This is the very first time when experimental data on liquid-liquid equilibrium (LLE) phase diagrams and excess enthalpies of mixing (H(E)) for these systems are reported. An impact of the molecular solvent structure on LLE and H(E) is discussed. Furthermore, modeling of the properties under study is presented by using perturbed-chain statistical associating fluid theory (PC-SAFT). The equation of state is used in purely predictive and semipredictive mode. The latter one involves temperature-dependent binary corrections to combining rules employed in the PC-SAFT model determined on the basis of infinite dilution activity coefficients. The results shown indicate that such an approach can serve as an interesting modern thermodynamic tool for representation of thermodynamic data for complex ILs-based systems.

  14. Binary-solvent-based ionic-liquid-assisted surfactant-enhanced emulsification microextraction for the determination of four fungicides in apple juice and apple vinegar.

    Science.gov (United States)

    Chen, Xiaochu; Zhang, Xu; Liu, Fengmao; Hou, Fan

    2017-02-01

    A binary-solvent-based ionic-liquid-assisted surfactant-enhanced emulsification microextraction method was developed for the separation/preconcentration and determination of four fungicides (pyrimethanil, fludioxonil, cyprodynil, pyraclostrobin) in apple juice and apple vinegar. A nonchlorinated solvent amyl acetate, which has a lower density than water, was used as the extraction solvent, and an ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate, which has a high density and low toxicity, was used as a secondary solvent mixed with the extraction solvent. After centrifugation, the binary solvent drop with a relatively high density was deposited on the bottom of the tube. Some parameters influencing the extraction efficiency of analytes such as type of extraction solvent, ratio of ionic liquid, volume of mixed solvent, type and concentration of surfactant, sample pH, NaCl concentration, and vortex time were investigated and optimized. Under the optimized conditions, the proposed method provided a good linearity in the range of 5-200 μg/L. The limits of quantification of the method were in the range of 2-5 μg/L. The relative standard deviations for interday assays were 1.7-11.9%. The method was applied to the determination of pyrimethanil, fludioxonil, cyprodynil, and pyraclostrobin in apple juice and apple vinegar samples, and the accuracy was evaluated through recovery experiments. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. A blue electroluminescence organic material with liquid crystal property

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Zhuo [Department of Chemistry and Key Lab of Organic Optical Electronics and Molecular Engineering, Tsinghua University, Beijing 100084 (China); Tang Hong [Department of Chemistry and Key Lab of Organic Optical Electronics and Molecular Engineering, Tsinghua University, Beijing 100084 (China); Wang Haifeng [Department of Chemistry and Key Lab of Organic Optical Electronics and Molecular Engineering, Tsinghua University, Beijing 100084 (China); Liang Xiao [Department of Chemistry and Key Lab of Organic Optical Electronics and Molecular Engineering, Tsinghua University, Beijing 100084 (China); Liu Jia [Department of Chemistry and Key Lab of Organic Optical Electronics and Molecular Engineering, Tsinghua University, Beijing 100084 (China); Qiu Yong [Department of Chemistry and Key Lab of Organic Optical Electronics and Molecular Engineering, Tsinghua University, Beijing 100084 (China); Shi Gaoquan [Department of Chemistry and Key Lab of Organic Optical Electronics and Molecular Engineering, Tsinghua University, Beijing 100084 (China)]. E-mail: gshi@tsinghua.edu.cn

    2007-02-26

    9,10-Bis-[4-(4-pentyl-cyclohexyl)-phenyl]-anthracene (BPCPA) was synthesized and characterized. Spectral results indicated that this compound is a strong blue light emitter with quantum yield of 1.0. BPCPA has also been applied as the light-emitting layer for fabrication of organic light-emitting diodes (OLEDs) by using a 4,7-diphenyl-1,10-phenanthroline film as the hole blocking/electron transporting layer and N, N'-biphenyl-N,N'-bis-(1-naphenyl)-[1,1'-biphenyl]-4,4'-diamine film as the hole transporting layer. The peak emission of electroluminescence of this OLED device is at about 440 nm and its Commission Internationale de l'Eclairage color coordinates are (0.15, 0.07) at potentials of 7 to 9 V. These values are very close to the standard of National Television Standards Committee for blue light (0.14, 0.08). Furthermore, BPCPA has high thermal stability with decomposition temperatures over 375 deg. C and melting point of 276.4 deg. C. BPCPA also shows a liquid crystal mesophase at 277 deg. C which indicates its potential applications in liquid crystal display.

  16. Vapor-liquid equilibrium measurements for the binary system methyl acetate+ethanol at 0.3 and 0.7 MPa

    Directory of Open Access Journals (Sweden)

    P. Susial

    2011-06-01

    Full Text Available This paper reports experimental data of the isobaric vapor-liquid equilibria (VLE for the mixture methyl acetate + ethanol at 0.3 and 0.7 MPa, determined using a copper still ebulliometer. The activity coefficients obtained from the experimental data were correlated by using different thermodynamic mathematical models. All the binary systems show a positive consistency when subjected to the point-to-point test of Van Ness. The prediction of VLE data obtained with the UNIFAC and ASOG methods has been verified with experimental data.

  17. Comprehensive study of efficient dye-sensitized solar cells based on the binary ionic liquid electrolyte by modifying with additives and iodine

    Science.gov (United States)

    Mo, Ao-qiang; Cao, Da-peng; Wang, Wu-yang; Li, Xue-yan; Mi, Bao-xiu; Gao, Zhi-qiang; Liang, Zhong-cheng

    2017-07-01

    The photovoltaic performance of dye-sensitized solar cells (DSSCs) is enhanced by modifying the binary room temperature ionic liquid (RTIL) electrolyte with additives and iodine. The average photoelectric conversion efficiency ( PCE) of 6.39% is achieved. Through electrochemical impedance spectroscopy (EIS), cyclic voltammetry scans and incident photon-to-current conversion efficiency ( IPCE) data, the working principles are analyzed. The enhancement is mainly attributed to the improvement of short circuit current which is caused by the reduction of overall internal resistance of the devices. Durability tests are measured at room temperature, and the long-term stability performance can be maintained.

  18. Removal of organic impurities from liquid carbon dioxide

    Science.gov (United States)

    Zito, Richard R.

    2002-09-01

    The use of a high velocity stream of carbon dioxide snowflakes to clean large optics is well known, and has gained widespread acceptance in the astronomical community as a telescope maintenance technique. Ultimately, however, the success of carbon dioxide snow cleaning depends on the availability of high purity carbon dioxide. The higher the purity of the carbon dioxide, the longer will be the time interval between required mirror washings. The highest grades of commercially produced liquid carbon dioxide are often not available in the more remote regions of the world - such as where major astronomical observatories are often located. Furthermore, the purity of even the highest grades of carbon dioxide are only nominal, and wide variations are known to occur from tank to tank. Occasionally, visible deposits of organic impurities are left behind during cleaning with carbon dioxide that is believed to be 99.999% pure. A zeolite molecular sieve based filtration system has proven to be very effective in removing these organic impurities. A zeolite is a complex alumino-silicate. One example has an empirical formula of Na2O(Al2O3)(SiO2)2yH2O, where y=0 to 8. The zeolites have an open crystal structure and are capable of trapping impurities like 8-methylheptadecane (an oil) and 2,6-octadine-1-ol,3,7- dimethyl-,(E)- (a fatty acid). In fact, a zeolite can trap 29.5% of its own weight in SAE 20 lubricant at 25 degree(s)C. After filtration of liquid CO2 through zeolites, the concentration of measured impurities was below the detection limit for state-of-the-art gas chromatography systems.

  19. Catalytic conversion of nonfood woody biomass solids to organic liquids.

    Science.gov (United States)

    Barta, Katalin; Ford, Peter C

    2014-05-20

    This Account outlines recent efforts in our laboratories addressing a fundamental challenge of sustainability chemistry, the effective utilization of biomass for production of chemicals and fuels. Efficient methods for converting renewable biomass solids to chemicals and liquid fuels would reduce society's dependence on nonrenewable petroleum resources while easing the atmospheric carbon dioxide burden. The major nonfood component of biomass is lignocellulose, a matrix of the biopolymers cellulose, hemicellulose, and lignin. New approaches are needed to effect facile conversion of lignocellulose solids to liquid fuels and to other chemical precursors without the formation of intractable side products and with sufficient specificity to give economically sustainable product streams. We have devised a novel catalytic system whereby the renewable feedstocks cellulose, organosolv lignin, and even lignocellulose composites such as sawdust are transformed into organic liquids. The reaction medium is supercritical methanol (sc-MeOH), while the catalyst is a copper-doped porous metal oxide (PMO) prepared from inexpensive, Earth-abundant starting materials. This transformation occurs in a single stage reactor operating at 300-320 °C and 160-220 bar. The reducing equivalents for these transformations are derived by the reforming of MeOH (to H2 and CO), which thereby serves as a "liquid syngas" in the present case. Water generated by deoxygenation processes is quickly removed by the water-gas shift reaction. The Cu-doped PMO serves multiple purposes, catalyzing substrate hydrogenolysis and hydrogenation as well as the methanol reforming and shift reactions. This one-pot "UCSB process" is quantitative, giving little or no biochar residual. Provided is an overview of these catalysis studies beginning with reactions of the model compound dihydrobenzofuran that help define the key processes occurring. The initial step is phenyl-ether bond hydrogenolysis, and this is followed by

  20. Further studies of the spur processes of positronium formation in mixtures of organic liquids

    International Nuclear Information System (INIS)

    Jansen, P.; Mogensen, O.E.

    1977-01-01

    To test some predictions of the spur model of positronium (Ps) formation, positron lifetime studies were made of the following binary organic mixtures: (a) carbondisulphide mixtures with n-tetradecane, n-hexane, isooctane, neopentane, and tetramethylsilane (TMS); (b) neopentane mixtures with methanol, ethanol, cyclohexanol, and methylcyclohexane; (c) cis-2-butene/trans-2-butene, and benzene/ethanol. The results were in agreement with the model. A minimum in the Ps yield versus CS 2 concentration, explained as being caused by electron localization on CS 2 at low and delocalization on several CS 2 molecules at higher CS 2 concentration, depended on the electron work function V 0 of the solvent. This minimum was pronounced (shallow or absent) at high (low) V 0 . Solvation of electrons and positrons in alcohol clusters strongly influenced the Ps yield for the neopentane mixtures. The Ps yield was higher in cis- than in trans-2-butene. The Ps formation process in polar liquids is discussed. Experimental facts do not preclude that Ps is also formed by the encounter pair process of fully solvated particles in the positron spur. (Auth.)

  1. Fermentation of liquid coproducts and liquid compound diets: Part 2. Effects on pH, acid-binding capacity, organic acids and ethanol during a 6-day period

    NARCIS (Netherlands)

    Scholten, R.H.J.; Rijnen, M.M.J.A.; Schrama, J.W.; Boer, H.; Peet-Schwering, van der C.M.C.; Hartog, den L.A.; Vesseur, P.C.

    2001-01-01

    The effects of a 6-day storage period on changes in pH, acid-binding capacity, level of organic acids and ethanol of three liquid coproducts [liquid wheat starch (LWS), mashed potato steam peel (PSP) and cheese whey (CW)] and two liquid compound diets [liquid grower diet (LGD) and liquid finisher

  2. Evaluation of (vapor + liquid) equilibria for the binary systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol compositions

    Energy Technology Data Exchange (ETDEWEB)

    Ovejero, Gabriel [Grupo de Catalisis y Procesos de Separacion (CyPS), Departamento de Ingenieria Quimica, Facultad de C. Quimicas, Universidsad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain)], E-mail: govejero@quim.ucm.es; Dolores Romero, M.; Diez, Eduardo; Lopes, Tania; Diaz, Ismael [Grupo de Catalisis y Procesos de Separacion (CyPS), Departamento de Ingenieria Quimica, Facultad de C. Quimicas, Universidsad Complutense de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain)

    2008-11-15

    Isobaric (vapor + liquid) equilibrium at p = 101.32 kPa of pressure has been determined for the systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol mole fractions. These data were satisfactorily correlated, using ASPEN PLUS commercial software, with Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters of both mixtures. Also, UNIFAC group contribution method was employed to predict the equilibrium of both mixtures. With regression values an accurate knowledge of (vapor + liquid) equilibrium for both mixtures can be reached in a range of 1-octanol mole fractions less than 0.1. UNIFAC method provides acceptable results for (1-octanol + n-hexane) system but not for (1-octanol + cyclohexane) system.

  3. Modeling of the branching influence on liquid–liquid equilibrium of binary and ternary polymer solutions by lattice–cluster theory

    International Nuclear Information System (INIS)

    Browarzik, Dieter; Langenbach, Kai; Enders, Sabine; Browarzik, Christina

    2013-01-01

    Highlights: ► Liquid–liquid equilibrium (LLE) is calculated with the lattice–cluster theory (LCT). ► Equations of the LCT are reduced to only three geometrical parameters. ► Branching influence on the LLE is modeled for binary and ternary polymer solutions. ► Branched and linear solvents and polymers are compared in their influence on LLE. ► Solutions of branched polymers in branched solvents show the best miscibility. -- Abstract: The liquid–liquid equilibrium (LLE) of ternary model systems of the type solvent A + polymer B + solvent C is treated in the framework of lattice–cluster theory (LCT). There are a linear and a branched type of A-molecules as well as a linear and two types of strongly branched polymer molecules. The C-molecules are assumed to occupy only one lattice site. For nine binary and six ternary polymer solutions the branching influence on LLE is discussed. Currently, the LCT is the most useful model to take the architecture of the molecules into account. However, particularly for ternary systems the model is not comfortable because of the very numerous terms of the Gibbs energy. Using some relationships between the geometrical parameters of the model a considerable simplification is possible. In this paper the new and simpler equations of the LCT are presented. For comparison with experimental data critical temperatures of solutions of linear and branched polyethylene samples in diphenyl ether are calculated

  4. Isothermal (vapour + liquid) equilibrium for binary mixtures of polyethylene glycol mono-4-nonylphenyl ether (PEGNPE) with methanol, ethanol, or 2-propanol

    International Nuclear Information System (INIS)

    Khoiroh, Ianatul; Lee, Ming-Jer

    2011-01-01

    Highlights: → An autoclave apparatus was used for binary (vapour + liquid) equilibrium data measurement. → The studied systems are polyethylene glycol mono-4-nonylphenyl ether with alcohols. → The saturated pressure data were fitted accurately to the Antoine equation. → The NRTL model correlated well the phase equilibrium data. → The solvent activities have been calculated. - Abstract: Saturated pressures of three binary systems of oligomeric polyethylene glycol mono-4-nonylphenyl ether (PEGNPE) with methanol, ethanol, and 2-propanol have been measured by using an autoclave (vapour + liquid) equilibrium (VLE) apparatus at temperatures ranging from (340 to 455) K and the oligomer content ranging from 0.100 to 0.400 in mole fraction. With a given feed composition, equilibrium pressures were measured at various temperatures to obtain VLE data. The experimental data were fitted to the Antoine equation and also correlated with activity coefficient models, the NRTL and the UNIQUAC. The correlation results showed good agreement between the calculated values and the experimental data. In general, the NRTL model yielded better results. Additionally, the solvent activities were evaluated from the experimental results and were compared with those from the NRTL and the UNIQUAC models.

  5. Thermophysical properties of binary mixtures of {l_brace}ionic liquid 2-hydroxy ethylammonium acetate + (water, methanol, or ethanol){r_brace}

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, Victor H. [School of Chemical Engineering, State University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas-SP (Brazil); Chemical Engineering Department, ETSE, University of Santiago de Compostela (USC), P.O. Box 15782, Santiago de Compostela (Spain); Mattedi, Silvana [Chemical Engineering Department, Polytechnic School, Federal University of Bahia (UFBA), 40210-630 Salvador-BA (Brazil); Martin-Pastor, Manuel [Unidade de Resonancia Magnetica, RIAIDT, edif. CACTUS, University of Santiago de Compostela (USC), P.O. Box 15706, Santiago de Compostela (Spain); Aznar, Martin [School of Chemical Engineering, State University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas-SP (Brazil); Iglesias, Miguel, E-mail: miguel.iglesias@usc.es [Chemical Engineering Department, ETSE, University of Santiago de Compostela (USC), P.O. Box 15782, Santiago de Compostela (Spain)

    2011-07-15

    Research highlights: > This paper reports the density and speed of sound data of binary mixtures {l_brace}2-hydroxy ethylammonium acetate + (water, or methanol, or ethanol){r_brace} measured between the temperatures (298.15 and 313.15) K at atmospheric pressure. > The aggregation, dynamic behavior, and hydrogen-bond network were studied using thermo-acoustic, X-ray, and NMR techniques. > The Peng-Robinson equation of state, coupled with the Wong-Sandler mixing rule using the COSMO-SAC model predicted the density of the solutions with relative mean deviations below than 3.0%. - Abstract: In this work, density and speed of sound data of binary mixtures of an ionic liquid consisting of {l_brace}2-hydroxy ethylammonium acetate (2-HEAA) + (water, methanol, or ethanol){r_brace} have been measured throughout the entire concentration range, from the temperature of (288.15 to 323.15) K at atmospheric pressure. The excess molar volumes, variations of the isentropic compressibility, the apparent molar volume, isentropic apparent molar compressibility, and thermal expansion coefficient were calculated from the experimental data. The excess molar volumes were negative throughout the whole composition range. Compressibility data in combination with low angle X-ray scattering and NMR measurements proved that the presence of micelles formed due to ion pair interaction above a critical concentration of the ionic liquid in the mixtures. The Peng-Robinson equation of state coupled with the Wong-Sandler mixing rule and COSMO-SAC model was used to predict densities and the calculated deviations were lower than 3%, for binary mixtures in all composition range.

  6. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fukushima, Tatsuya; Yamamoto, Junichi; Fukuchi, Masashi; Kaji, Hironori, E-mail: kaji@scl.kyoto-u.ac.jp [Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan); Hirata, Shuzo; Jung, Heo Hyo; Adachi, Chihaya [Center for Organic Photonics and Electronics Research (OPERA), Kyusyu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); Hirata, Osamu; Shibano, Yuki [Nissan Chemical Industries, LTD, 722-1 Tsuboi, Funabashi 274-8507 (Japan)

    2015-08-15

    Liquid organic light-emitting diodes (liquid OLEDs) are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR) experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation.

  7. Investigation of the Extinguishing Features for Liquid Fuels and Organic Flammable Liquids Atomized by a Water Flow

    Science.gov (United States)

    Voytkov, Ivan V.; Zabelin, Maksim V.; Vysokomornaya, Olga V.

    2016-02-01

    The processes of heat and mass transfer were investigated experimentally while moving and evaporating the atomized water flow in high-temperature combustion products of typical liquid fuels and organic flammable liquids: gasoline, kerosene, acetone, crude oil, industrial alcohol. We determined typical periods of liquid extinguishing by an atomized water flow of various dispersability. Data of the discharge of extinguishing medium corresponding to various parameters of atomization and duration of using the atomization devices was presented. It is shown that Um≈3.5 m/s is a minimal outflow velocity of droplets during moving while passing the distance of 1m in the high-temperature gas medium to stop the combustion of organic liquids.

  8. Investigation of the Extinguishing Features for Liquid Fuels and Organic Flammable Liquids Atomized by a Water Flow

    Directory of Open Access Journals (Sweden)

    Voytkov Ivan V.

    2016-01-01

    Full Text Available The processes of heat and mass transfer were investigated experimentally while moving and evaporating the atomized water flow in high-temperature combustion products of typical liquid fuels and organic flammable liquids: gasoline, kerosene, acetone, crude oil, industrial alcohol. We determined typical periods of liquid extinguishing by an atomized water flow of various dispersability. Data of the discharge of extinguishing medium corresponding to various parameters of atomization and duration of using the atomization devices was presented. It is shown that Um≈3.5 m/s is a minimal outflow velocity of droplets during moving while passing the distance of 1m in the high-temperature gas medium to stop the combustion of organic liquids.

  9. 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.

  10. Density and Comparative Refractive Index Study on Mixing Properties of Binary Liquid Mixtures of Eucalyptol with Hydrocarbons at 303.15, 308.15 and 313.15 K

    OpenAIRE

    Sharma, Sangita; Patel, Pragnesh B.; Patel, Rignesh S.; Vora, J. J.

    2007-01-01

    Density and refractive index have been experimentally determined for binary liquid mixtures of eucalyptol with hydrocarbons (o-xylene,m-xylene and toluene) at 303.15 K, 308.15 K and 313.15 K. A comparative study of Lorentz-Lorenz (L-L), Weiner (W), Heller (H), Gladstone-Dale (G-D), Arago-Biot (A-B), Eykman (Eyk), Newton (Nw), Eyring-John (E-J) and Oster (Os) relations for determining the refractive index of a liquid has been carried out to test their validity for the three binaries over the e...

  11. Influence of Spur Processes on Positronium Formation in Some Mixtures of Organic Liquids

    DEFF Research Database (Denmark)

    Jansen, P.; Eldrup, Morten Mostgaard; Mogensen, O. E.

    1974-01-01

    To test some predictions of the spur reaction model of positronium (Ps) formation, positron lifetime studies of the following binary organic mixtures: (a) dioxane/n-heptane, (b) triethylamine/n-heptane, (c) pyrrolidine/n-heptane, and (d) carbon disulphide/n-hexane were performed. The results were...

  12. Insights in groundwater organic matter from Liquid Chromatography-Organic Carbon Detection

    Science.gov (United States)

    Rutlidge, H.; Oudone, P.; McDonough, L.; Andersen, M. S.; Baker, A.; Meredith, K.; O'Carroll, D. M.

    2017-12-01

    Understanding the processes that control the concentration and characteristics of organic matter in groundwater has important implications for the terrestrial global carbon budget. Liquid Chromatography - Organic Carbon Detection (LC-OCD) is a size-exclusion based chromatography technique that separates the organic carbon into molecular weight size fractions of biopolymers, humic substances, building blocks (degradation products of humic substances), low molecular weight acids and low molecular weight neutrals. Groundwater and surface water samples were collected from a range of locations in Australia representing different surface soil, land cover, recharge type and hydrological properties. At one site hyporheic zone samples were also collected from beneath a stream. The results showed a general decrease in the aromaticity and molecular weight indices going from surface water, hyporheic downwelling and groundwater samples. The aquifer substrate also affected the organic composition. For example, groundwater samples collected from a zone of fractured rock showed a relative decrease in the proportion of humic substances, suggestive of sorption or degradation of humic substances. This work demonstrates the potential for using LC-OCD in elucidating the processes that control the concentration and characteristics of organic matter in groundwater.

  13. Surface Tension of Organic Liquids Using the OPLS/AA Force Field.

    Science.gov (United States)

    Zubillaga, Rafael A; Labastida, Ariana; Cruz, Bibiana; Martínez, Juan Carlos; Sánchez, Enrique; Alejandre, José

    2013-03-12

    Molecular dynamics simulations are performed to obtain the surface tension of 61 organic liquids using the OPLS/AA (all-atom optimized potential for liquid simulations). The force field parameters are the same as those recently used (Caleman et al. J. Chem. Theory Comput.2012, 8, 61) to determine several thermodynamic properties of 146 organic liquids. The correct evaluation of surface tension using slab simulations of liquids requires one to properly take into account the long-range interactions (Trukhymchuk and Alejandre J. Chem. Phys.1999, 111, 8510). In addition, the liquid density from slab simulations has to be the same as that obtained in liquid simulations at constant temperature and pressure. The new results of surface tensions from this work improve those reported by Caleman et al. The OPLS/AA force field gives good surface tensions compared with experimental data for most of the systems studied in this work, although it was developed to simulate liquids.

  14. Separation of alcohols from organic liquid mixtures by pervaporation

    NARCIS (Netherlands)

    Park, Hyun-Chae

    1993-01-01

    In the chemical industry, distillation is generally the preferred technique to separate a liquid mixture. However some liquid mixtures such as azeotropic mixtures, close-boiling hydrocarbons, and various isomers are difficult to separate by simple distillation. For the separation of these mixtures

  15. Structure-retention and mobile phase-retention relationships for reversed-phase high-performance liquid chromatography of several hydroxythioxanthone derivatives in binary acetonitrile-water mixtures

    International Nuclear Information System (INIS)

    Amiri, Ali Asghar; Hemmateenejad, Bahram; Safavi, Afsaneh; Sharghi, Hashem; Beni, Ali Reza Salimi; Shamsipur, Mojtaba

    2007-01-01

    The reversed-phase high-performance liquid chromatographic (RP-HPLC) behavior of some newly synthesized hydroxythioxanthone derivatives using binary acetonitrile-water mixtures as mobile phase has been examined. First, the variation in the retention time of each molecule as a function of mobile phase properties was studied by Kamlet-Taft solvatochromic equations. Then, the influences of molecular structure of the hydroxythioxanthone derivatives on their retention time in various mobile phase mixtures were investigated by quantitative structure-property relationship (QSPR) analysis. Finally, a unified model containing both the molecular structure parameters and mobile phase properties was developed to describe the chromatographic behavior of the systems studied. Among the solvent properties, polarity/polarizability parameter (π * ) and hydrogen-bond basicity (β), and among the solute properties, the most positive local charge (MPC), the sum of positive charges on hydrogen atoms contributing in hydrogen bonding (SPCH) and lipophilicity index (log P) were identified as controlling factors in the RP-HPLC behavior of hydroxythioxanthone derivatives in actonitrile-water binary solvents

  16. Theoritical Evaluation of Ultrasonic Velocities in Binary Liquid Mixtures of N-Methyl-2-pyrrolidone at Different Temperatures with Some Cyclic Compounds

    Directory of Open Access Journals (Sweden)

    K. Rayapa Reddy

    2012-01-01

    Full Text Available Ultrasonic velocities and densities of the binary liquid mixtures of N-methyl-2-Pyrrolidone (NMP with Cyclohexylamine (CHA, Cyclohexanol (CHOL and Cyclohexene(CHE at a temperature range of 303.15 to 318.15 K over the entire composition range were measured. The theoretical values of ultrasonic velocity were evaluated using the Nomoto's relation(UNR, Impedence relation(UIR, Ideal mixing relation(UIMR, Jungie's relation(UJR and Rao's specific velocity relation(UR.The molecular interaction parameter (α was computed by using the experimental and theoretical ultrasonic velocity values. The variation of interaction parameter with the composition of the mixture has been discussed in terms of molecular interactions.

  17. Isobaric vapor liquid equilibria data for the binary system (glycidyl butyrate + acetone, glycidyl butyrate + carbon tetrachloride, glycidyl butyrate + chloroform) at atmospheric pressure 101 kPa

    Science.gov (United States)

    Huang, Qiang; Meng, Qingyi; Ban, Chunlan; Zhang, Rui; Gao, Yingyu

    2016-09-01

    Isobaric vapor liquid equilibria (VLE) for the binary mixtures of glycidyl butyrate(1) + acetone(2), glycidyl butyrate(1) + carbon tetrachloride(2) and glycidyl butyrate(1) + chloroform(2) at 101 kPa were studied. The experimental data were satisfactorily correlated with the models of Wilson, NRTL and UNIQUAC activity coefficients. The activity coefficients for the equilibrium data were obtained by the nonlinear least square method. The average relative deviations between experimental temperatures and calculated temperatures by the Wilson, NRTL and UNIQUAC models were 0.16, 0.16, 0.23% for glycidyl butyrate(1) + chloroform( 2), 0.38, 0.12, 0.27% for glycidylbutyrate(1) + carbon tetrachloride(2), and 0.67, 0.13, 0.54% for glycidyl butyrate(1) + acetone(2). Azeotrope behavior was not found for these systems. The thermodynamic consistency of the correlations was checked by the Herrington's area test.

  18. Organic liquid scintillation detector shape and volume impact on radiation portal monitors

    Energy Technology Data Exchange (ETDEWEB)

    Paff, Marc G.; Clarke, Shaun D.; Pozzi, Sara A.

    2016-07-21

    We have developed and tested a radiation portal monitor using organic liquid scintillation detectors. In order to optimize our system designs, neutron measurements were carried out with three organic liquid scintillation detectors of different shapes and sizes, along with a {sup 3}He radiation portal monitor (RPM) as a reference. The three liquids tested were a 7.62 cm diameter by 7.62 cm length cylindrical active volume organic liquid scintillation detector, a 12.7 cm diameter by 12.7 cm length cylindrical active volume organic liquid scintillation detector, and a 25 cm by 25 cm by 10 cm “paddle” shaped organic liquid scintillation detector. Background and Cf-252 neutron measurements were recorded to allow for a comparison of neutron intrinsic efficiencies as well as receiver operating characteristics (ROC) curves between detectors. The 12.7 cm diameter cylindrical active volume organic liquid scintillation detector exhibited the highest intrinsic neutron efficiency (54%) of all three liquid scintillators. An ROC curve analysis for a heavily moderated Cf-252 measurement showed that using the 12.7 cm diameter by 12.7 cm length cylindrical active volume Eljen EJ309 organic liquid scintillation detector would result in the fewest needed detector units in order to achieve a near 100% positive neutron alarm rate while maintaining a better than 1 in 10,000 false alarm rate on natural neutron background. A small number of organic liquid scintillation detectors could therefore be a valid alternative to {sup 3}He in some RPM applications.

  19. Catalytic conversion of nonfood woody biomass solids to organic liquids

    NARCIS (Netherlands)

    Barta, Katalin; Ford, Peter C

    CONSPECTUS: This Account outlines recent efforts in our laboratories addressing a fundamental challenge of sustainability chemistry, the effective utilization of biomass for production of chemicals and fuels. Efficient methods for converting renewable biomass solids to chemicals and liquid fuels

  20. Composite hollow fiber membranes for organic solvent-based liquid-liquid extraction

    NARCIS (Netherlands)

    He, T.; Bolhuis-Versteeg, Lydia A.M.; Mulder, M.H.V.; Wessling, Matthias

    2004-01-01

    Instability issues of liquid membranes extraction significantly limit its wide application in industry. We report research on the application of a new composite hollow fiber membrane to stabilizing liquid membrane extraction. These type of composite membranes have either a polysulfone (PSf)

  1. Solid–liquid equilibrium and thermodynamic research of 3-Thiophenecarboxylic acid in (water + acetic acid) binary solvent mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiang; Liang, Mengmeng [State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009 (China); Hu, Yonghong, E-mail: yonghonghu11@126.com [State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009 (China); Yang, Wenge [State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009 (China); Shi, Ying [Taiyuan Qiaoyou Chemical Industrial Co. Ltd., Taiyuan 030025 (China); Yin, Jingjing; Liu, Yan [State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009 (China)

    2014-12-20

    Highlights: • The solubility was measured in (water + acetic acid) from 283.15 to 338.15 K. • The solubility increased with increasing temperature and water contents. • The modified Apelblat equation was more accurate than the λh equation. - Abstract: In this study, the solubility of 3-thiophenecarboxylic acid was measured in (water + acetic acid) binary solvent mixtures in the temperature ranging from 283.15 to 338.15 K by the analytical stirred-flask method under atmospheric pressure. The experimental data were well-correlated with the modified Apelblat equation and the λh equation. In addition, the calculated solubilities showed good agreement with the experimental results. It was found that the modified Apelblat equation could obtain the better correlation results than the λh equation. The experiment results indicated that the solubility of 3-thiophenecarboxylic acid in the binary solvents increased with increasing temperature, increases with increasing water contents, but the increments with temperature differed from different water contents. In addition, the thermodynamic properties of the solution process, including the Gibbs energy, enthalpy, and entropy were calculated by the van’t Hoff analysis. The experimental data and model parameters would be useful for optimizing the process of purification of 3-thiophenecarboxylic acid in industry.

  2. Solid–liquid equilibrium and thermodynamic research of 3-Thiophenecarboxylic acid in (water + acetic acid) binary solvent mixtures

    International Nuclear Information System (INIS)

    Liu, Xiang; Liang, Mengmeng; Hu, Yonghong; Yang, Wenge; Shi, Ying; Yin, Jingjing; Liu, Yan

    2014-01-01

    Highlights: • The solubility was measured in (water + acetic acid) from 283.15 to 338.15 K. • The solubility increased with increasing temperature and water contents. • The modified Apelblat equation was more accurate than the λh equation. - Abstract: In this study, the solubility of 3-thiophenecarboxylic acid was measured in (water + acetic acid) binary solvent mixtures in the temperature ranging from 283.15 to 338.15 K by the analytical stirred-flask method under atmospheric pressure. The experimental data were well-correlated with the modified Apelblat equation and the λh equation. In addition, the calculated solubilities showed good agreement with the experimental results. It was found that the modified Apelblat equation could obtain the better correlation results than the λh equation. The experiment results indicated that the solubility of 3-thiophenecarboxylic acid in the binary solvents increased with increasing temperature, increases with increasing water contents, but the increments with temperature differed from different water contents. In addition, the thermodynamic properties of the solution process, including the Gibbs energy, enthalpy, and entropy were calculated by the van’t Hoff analysis. The experimental data and model parameters would be useful for optimizing the process of purification of 3-thiophenecarboxylic acid in industry

  3. Phase equilibria of didecyldimethylammonium nitrate ionic liquid with water and organic solvents

    International Nuclear Information System (INIS)

    Domanska, Urszula; Lugowska, Katarzyna; Pernak, Juliusz

    2007-01-01

    The phase diagrams for binary mixtures of an ammonium ionic liquid, didecyldimethylammonium nitrate, [DDA][NO 3 ], with: alcohols (propan-1-ol, butan-1-ol, octan-1-ol, and decan-1-ol): hydrocarbons (toluene, propylbenzene, hexane, and hexadecane) and with water were determined in our laboratory. The phase equilibria were measured by a dynamic method from T 220 K to either the melting point of the ionic liquid, or to the boiling point of the solvent. A simple liquidus curve in a eutectic system was observed for [DDA][NO 3 ] with: alcohols (propan-1-ol, butan-1-ol, and octan-1-ol); aromatic hydrocarbons (toluene and propylbenzene) and with water. (Solid + liquid) equilibria with immiscibility in the liquid phase were detected with the aliphatic hydrocarbons heptane and hexadecane and with decan-1-ol. (Liquid + liquid) equilibria for the system [DDA][NO 3 ] with hexadecane was observed for the whole mole fraction range of the ionic liquid. The observation of the upper critical solution temperature in binary mixtures of ([DDA][NO 3 ] + decan-1-ol, heptane, or hexadecane) was limited by the boiling temperature of the solvent. Characterisation and purity of the compounds were determined by elemental analysis, water content (Fisher method) and differential scanning microcalorimetry (d.s.c.) analysis. The d.s.c. method of analysis was used to determine melting temperatures and enthalpies of fusion. The thermal stability of the ionic liquid was resolved by the thermogravimetric technique-differential thermal analysis (TG-DTA) technique over a wide temperature range from (200 to 780) K. The thermal decomposition temperature of 50% of the sample was greater than 500 K. The (solid + liquid) phase equilibria, curves were correlated by means of different G Ex models utilizing parameters derived from the (solid + liquid) equilibrium. The root-mean-square deviations of the solubility temperatures for all calculated data are dependent upon the particular system and the particular

  4. Phase equilibria of didecyldimethylammonium nitrate ionic liquid with water and organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Domanska, Urszula [Physical Chemistry Division, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland)]. E-mail: ula@ch.pw.edu.pl; Lugowska, Katarzyna [Physical Chemistry Division, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland); Pernak, Juliusz [Faculty of Chemical Technology, Poznan University of Technology, Poznan (Poland)

    2007-05-15

    The phase diagrams for binary mixtures of an ammonium ionic liquid, didecyldimethylammonium nitrate, [DDA][NO{sub 3}], with: alcohols (propan-1-ol, butan-1-ol, octan-1-ol, and decan-1-ol): hydrocarbons (toluene, propylbenzene, hexane, and hexadecane) and with water were determined in our laboratory. The phase equilibria were measured by a dynamic method from T 220 K to either the melting point of the ionic liquid, or to the boiling point of the solvent. A simple liquidus curve in a eutectic system was observed for [DDA][NO{sub 3}] with: alcohols (propan-1-ol, butan-1-ol, and octan-1-ol); aromatic hydrocarbons (toluene and propylbenzene) and with water. (Solid + liquid) equilibria with immiscibility in the liquid phase were detected with the aliphatic hydrocarbons heptane and hexadecane and with decan-1-ol. (Liquid + liquid) equilibria for the system [DDA][NO{sub 3}] with hexadecane was observed for the whole mole fraction range of the ionic liquid. The observation of the upper critical solution temperature in binary mixtures of ([DDA][NO{sub 3}] + decan-1-ol, heptane, or hexadecane) was limited by the boiling temperature of the solvent. Characterisation and purity of the compounds were determined by elemental analysis, water content (Fisher method) and differential scanning microcalorimetry (d.s.c.) analysis. The d.s.c. method of analysis was used to determine melting temperatures and enthalpies of fusion. The thermal stability of the ionic liquid was resolved by the thermogravimetric technique-differential thermal analysis (TG-DTA) technique over a wide temperature range from (200 to 780) K. The thermal decomposition temperature of 50% of the sample was greater than 500 K. The (solid + liquid) phase equilibria, curves were correlated by means of different G {sup Ex} models utilizing parameters derived from the (solid + liquid) equilibrium. The root-mean-square deviations of the solubility temperatures for all calculated data are dependent upon the particular

  5. Analysis of structural correlations in a model binary 3D liquid through the eigenvalues and eigenvectors of the atomic stress tensors.

    Science.gov (United States)

    Levashov, V A

    2016-03-07

    It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids' structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectors of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ1 ≥ λ2 ≥ λ3 ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ2/λ1) and (λ3/λ2) are essentially identical to each other in the liquids state. We also found that λ2 tends to be equal to the geometric average of λ1 and λ3. In our view, correlations between the eigenvalues may represent "the Poisson ratio effect" at the atomic scale.

  6. (Vapour + liquid) equilibria and excess molar enthalpies for binary mixtures containing N,N-dialkylamides and 1-chloroalkanes

    International Nuclear Information System (INIS)

    Garcia-Gimenez, P.; Munoz Embid, J.; Velasco, I.; Otin, S.

    2007-01-01

    Isothermal (vapour + liquid) equilibria (VLE) and excess molar enthalpies H m E have been measured for liquid (N,N-dimethylformamide or N,N-dimethylacetamide + 1-chlorobutane, or + 1-chlorohexane, or + 1-chlorooctane mixtures). The VLE data have been reduced using the Redlich-Kister equation taking into consideration the vapour phase imperfection in terms of 2nd molar virial coefficients. The experimental results show that both H m E andG m E are positive and increase with increasing chain length of the 1-chloroalkane

  7. The Effectivity of Marine Bio-activator and Surimi Liquid Waste Addition of Characteristics Liquid Organic Fertilizer from Sargassum sp.

    Directory of Open Access Journals (Sweden)

    Putri Wening Ratrinia

    2016-12-01

    Full Text Available Organic fertilizer is highly recommended for soil and plant because it can improve the productivity and repair physical, chemical, and biological of soil. Sargassum sp. and surimi liquid wastes contain organic matter and nutrient needed by plants and soils. The addition of marine bio-activator which contains bacterial isolates from litter mangrove serves to accelerate the composting time and increases the activity of microorganisms in the decomposition process. The purpose of this study was to determine optimum time and the best formulation of decomposition process organic fertilizer. Raw materials used a waste of seaweed Sargassum sp., marine bio-activator and surimi liquid waste from catfish (Clarias sp.. The research was conducted six treatments control, Sargassum sp. + marine bio-activator, surimi liquid waste , Sargassum sp. + marine bio-activator + surimi liquid waste 80%, 90%, 100%. All treatments were fermented for 9 days and analysed the C-organic, total N, C/N ratio, P2 O5 , K2 O on days 0, 3, 6 and 9. The results showed the optimum fermentation period was on the 6th day. The most optimum concentration of surimi liquid waste added was at a concentration of 90%, with characteristics of the products was C-organic 0.803 ± 0.0115 %, total N 740.063 ± 0.0862 ppm, C/N ratio 10.855 ± 0.1562, P2 O5 425.603 ± 0.2329 ppm, K2 O 2738.627 ± 0.2836 ppm.

  8. The Effectivity of Marine Bio-activator and Surimi Liquid Waste Addition of Characteristics Liquid Organic Fertilizer from Sargassum sp.

    Directory of Open Access Journals (Sweden)

    Putri Wening Ratrinia

    2017-02-01

    Full Text Available AbstractOrganic fertilizer is highly recommended for soil and plant because it can improve the productivity and repair physical, chemical, and biological of soil. Sargassum sp. and surimi liquid wastes contain organic matter and nutrient needed by plants and soils. The addition of marine bio-activator which contains bacterial isolates from litter mangrove serves to accelerate the composting time and increases the activity of microorganisms in the decomposition process. The purpose of this study was to determine optimum time and the best formulation of decomposition process organic fertilizer. Raw materials used a waste of seaweed Sargassum sp., marine bio-activator and surimi liquid waste from catfish (Clarias sp.. The research was conducted six treatments control, Sargassum sp. + marine bio-activator, surimi liquid waste , Sargassum sp. + marine bio-activator + surimi liquid waste 80%, 90%, 100%. All treatments were fermented for 9 days and analysed the C-organic, total N, C/N ratio, P2O5, K2O on days 0, 3, 6 and 9. The results showed the optimum fermentation period was on the 6th day. The most optimum concentration of surimi liquid waste added was at a concentration of 90%, with characteristics of the products was C-organic 0.803±0.0115%, total N 740.063±0.0862 ppm, C/N ratio 10.855±0.1562, P2O5 425.603±0.2329 ppm, K2O 2738.627±0.2836 ppm.

  9. 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.

  10. Thin aligned organic polymer films for liquid crystal devices

    International Nuclear Information System (INIS)

    Foster, Kathryn Ellen

    1997-01-01

    This project was designed to investigate the possibility of producing alignment layers for liquid crystal devices by cross-linking thin films containing anisotropic polymer bound chromophores via irradiation with polarised ultraviolet light. Photocross-linkable polymers find use in microelectronics, liquid crystal displays, printing and UV curable lacquers and inks; so there is an increasing incentive for the development of new varieties of photopolymers in general. The synthesis and characterisation of two new photopolymers that are suitable as potential alignment layers for liquid crystal devices are reported in this thesis. The first polymer contains the anthracene chromophore attached via a spacer unit to a methacrylate backbone and the second used a similarly attached aryl azide group. Copolymers of the new monomers with methyl methacrylate were investigated to establish reactivity ratios in order to understand composition drift during polymerisation. (author)

  11. Dissolved organic carbon enhances the mass transfer of hydrophobic organic compounds from Nonaqueous Phase Liquids (NAPLs) into the aqueous phase

    NARCIS (Netherlands)

    Smith, K.E.C.; Thullner, M.; Wick, L.Y.; Harms, H.

    2011-01-01

    The hypothesis that dissolved organic carbon (DOC) enhances the mass transfer of hydrophobic organic compounds from nonaqueous phase liquids (NAPLs) into the aqueous phase above that attributable to dissolved molecular diffusion alone was tested. In controlled experiments, mass transfer rates of

  12. On the implications of aerosol liquid water and phase separation for organic aerosol mass

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset contains data presented in the figures of the paper "On the implications of aerosol liquid water and phase separation for organic aerosol mass"...

  13. Performance evaluation of organic emulsion liquid membrane on phenol removal

    OpenAIRE

    Ng, Yee Sern; Jayakumar, N.S.; Hashim, M.A.

    2017-01-01

    The percentage removal of phenol from aqueous solution by emulsion liquid membrane and emulsion leakage was investigated experimentally for various parameters such as membrane:internal phase ratio, membrane:external phase ratio, emulsification speed, emulsification time, carrier concentration, surfactant concentration and internal agent concentration. These parameters strongly influence the percentage removal of phenol and emulsion leakage. Under optimum membrane properties, the percentage re...

  14. Modeling the gas-particle partitioning of secondary organic aerosol: the importance of liquid-liquid phase separation

    Directory of Open Access Journals (Sweden)

    A. Zuend

    2012-05-01

    Full Text Available The partitioning of semivolatile organic compounds between the gas phase and aerosol particles is an important source of secondary organic aerosol (SOA. Gas-particle partitioning of organic and inorganic species is influenced by the physical state and water content of aerosols, and therefore ambient relative humidity (RH, as well as temperature and organic loading levels. We introduce a novel combination of the thermodynamic models AIOMFAC (for liquid mixture non-ideality and EVAPORATION (for pure compound vapor pressures with oxidation product information from the Master Chemical Mechanism (MCM for the computation of gas-particle partitioning of organic compounds and water. The presence and impact of a liquid-liquid phase separation in the condensed phase is calculated as a function of variations in relative humidity, organic loading levels, and associated changes in aerosol composition. We show that a complex system of water, ammonium sulfate, and SOA from the ozonolysis of α-pinene exhibits liquid-liquid phase separation over a wide range of relative humidities (simulated from 30% to 99% RH. Since fully coupled phase separation and gas-particle partitioning calculations are computationally expensive, several simplified model approaches are tested with regard to computational costs and accuracy of predictions compared to the benchmark calculation. It is shown that forcing a liquid one-phase aerosol with or without consideration of non-ideal mixing bears the potential for vastly incorrect partitioning predictions. Assuming an ideal mixture leads to substantial overestimation of the particulate organic mass, by more than 100% at RH values of 80% and by more than 200% at RH values of 95%. Moreover, the simplified one-phase cases stress two key points for accurate gas-particle partitioning calculations: (1 non-ideality in the condensed phase needs to be considered and (2 liquid-liquid phase separation is a consequence of considerable deviations

  15. Liquid phase oxidation via heterogeneous catalysis organic synthesis and industrial applications

    CERN Document Server

    Clerici, Mario G

    2013-01-01

    Sets the stage for environmentally friendly industrial organic syntheses From basic principles to new and emerging industrial applications, this book offers comprehensive coverage of heterogeneous liquid-phase selective oxidation catalysis. It fully examines the synthesis, characterization, and application of catalytic materials for environmentally friendly organic syntheses. Readers will find coverage of all the important classes of catalysts, with an emphasis on their stability and reusability. Liquid Phase Oxidation via Heterogeneous Catalysis features contributions from an internation

  16. Isobaric (vapor + liquid) equilibrium data for the binary system methanol + 2-butyl alcohol and the quaternary system methyl acetate + methanol + 2-butyl alcohol + 2-butyl acetate at P = 101.33 kPa

    International Nuclear Information System (INIS)

    Wang, Hong-xing; Bu, Xiang-wei; Yang, Jin-bei; Jiang, Yi-ping; Li, Ling

    2014-01-01

    Highlights: • VLE data for methanol + 2-butyl alcohol were determined. • VLE data for methyl acetate + methanol + 2-butyl alcohol + SBAC were determined. • The binary interaction parameters were obtained based on the binary VLE data. • The data of quaternary system have been predicted. • Both Wilson and NRTL models are suitable to describe the VLE of quaternary system. - Abstract: In this paper, isobaric (vapor + liquid) equilibrium (VLE) data for the binary system methanol + 2-butyl alcohol and the quaternary system methyl acetate + methanol + 2-butyl alcohol + 2-butyl acetate were determined at P = 101.33 kPa in a modified Rose still. The binary VLE data were found to be thermodynamic consistency by the Herrington method. The VLE data for the binary system were correlated by the Wilson and NRTL equations respectively, which were used to predict the VLE data of the quaternary system. The results showed that the Wilson and NRTL models matched well with the (vapor + liquid) phase equilibrium data. The deviations for the vapor-phase compositions and the equilibrium temperatures are reasonably small and the models are both suitable for these systems

  17. Effectiveness of liquid organic-nitrogen fertilizer in enhancing ...

    African Journals Online (AJOL)

    user

    2011-03-21

    Mar 21, 2011 ... Abbreviations: DAS, Days after sowing; SOC, soil organic carbon; CEC, cation exchange capacity; HA, humic acid; FA, fulvic acids. Cai et al., 2002). Organic substances such as humic substances are made up of humin, humic and fulvic acids (Tan, 2003). These organic compounds have the capability of in-.

  18. Radiation induced polymerization of MMA in imidazolium ionic liquids and their mixed solutions with organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Qi Mingying [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100049 (China); Wu Guozhong [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China)], E-mail: wuguozhong@sinap.ac.cn; Sha Maolin; Liu Yusheng [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100049 (China)

    2008-10-15

    Considerably higher molecular weight (M{sub w}) and multi-modal molecular weight distribution (MWD) of poly(methyl methacrylate) (PMMA) were observed in neat ionic liquids ([bmim][PF{sub 6}] and [bmim][BF{sub 4}]), as well as their mixed solutions with organic solvents, probably due to the high viscosity and inhomogeneity of ionic liquids. FTIR spectra for PMMA showed that a slight amount of ionic liquid remained in the resulting polymer, and DSC measurement indicated the increase of glass transition point of PMMA with increasing of ionic liquid fraction in mixed solutions.

  19. Chemical reactions of metal powders with organic and inorganic liquids during ball milling

    Science.gov (United States)

    Arias, A.

    1975-01-01

    Chromium and/or nickel powders were milled in metal chlorides and in organic liquids representative of various functional groups. The powders always reacted with the liquid and became contaminated with elements from them. The milled powders had specific surface areas ranging from 0.14 to 37 sq m/g, and the total contamination with elements from the milling liquid ranged from 0.01 to 56 weight percent. Compounds resulting from substitution, addition, or elimination reactions formed in or from the milling liquid.

  20. Explicit expressions of self-diffusion coefficient, shear viscosity, and the Stokes-Einstein relation for binary mixtures of Lennard-Jones liquids

    International Nuclear Information System (INIS)

    Ohtori, Norikazu; Ishii, Yoshiki

    2015-01-01

    Explicit expressions of the self-diffusion coefficient, D i , and shear viscosity, η sv , are presented for Lennard-Jones (LJ) binary mixtures in the liquid states along the saturated vapor line. The variables necessary for the expressions were derived from dimensional analysis of the properties: atomic mass, number density, packing fraction, temperature, and the size and energy parameters used in the LJ potential. The unknown dependence of the properties on each variable was determined by molecular dynamics (MD) calculations for an equimolar mixture of Ar and Kr at the temperature of 140 K and density of 1676 kg m −3 . The scaling equations obtained by multiplying all the single-variable dependences can well express D i and η sv evaluated by the MD simulation for a whole range of compositions and temperatures without any significant coupling between the variables. The equation for D i can also explain the dual atomic-mass dependence, i.e., the average-mass and the individual-mass dependence; the latter accounts for the “isotope effect” on D i . The Stokes-Einstein (SE) relation obtained from these equations is fully consistent with the SE relation for pure LJ liquids and that for infinitely dilute solutions. The main differences from the original SE relation are the presence of dependence on the individual mass and on the individual energy parameter. In addition, the packing-fraction dependence turned out to bridge another gap between the present and original SE relations as well as unifying the SE relation between pure liquids and infinitely dilute solutions

  1. Explicit expressions of self-diffusion coefficient, shear viscosity, and the Stokes-Einstein relation for binary mixtures of Lennard-Jones liquids

    Energy Technology Data Exchange (ETDEWEB)

    Ohtori, Norikazu, E-mail: ohtori@chem.sc.niigata-u.ac.jp [Department of Chemistry, Niigata University, 8050 Ikarashi 2-no-cho, Nishi-ku, Niigata 950-2181 (Japan); Ishii, Yoshiki [Graduate School of Science and Technology, Niigata University, 8050 Ikarashi 2-no-cho, Nishi-ku, Niigata 950-2181 (Japan)

    2015-10-28

    Explicit expressions of the self-diffusion coefficient, D{sub i}, and shear viscosity, η{sub sv}, are presented for Lennard-Jones (LJ) binary mixtures in the liquid states along the saturated vapor line. The variables necessary for the expressions were derived from dimensional analysis of the properties: atomic mass, number density, packing fraction, temperature, and the size and energy parameters used in the LJ potential. The unknown dependence of the properties on each variable was determined by molecular dynamics (MD) calculations for an equimolar mixture of Ar and Kr at the temperature of 140 K and density of 1676 kg m{sup −3}. The scaling equations obtained by multiplying all the single-variable dependences can well express D{sub i} and η{sub sv} evaluated by the MD simulation for a whole range of compositions and temperatures without any significant coupling between the variables. The equation for D{sub i} can also explain the dual atomic-mass dependence, i.e., the average-mass and the individual-mass dependence; the latter accounts for the “isotope effect” on D{sub i}. The Stokes-Einstein (SE) relation obtained from these equations is fully consistent with the SE relation for pure LJ liquids and that for infinitely dilute solutions. The main differences from the original SE relation are the presence of dependence on the individual mass and on the individual energy parameter. In addition, the packing-fraction dependence turned out to bridge another gap between the present and original SE relations as well as unifying the SE relation between pure liquids and infinitely dilute solutions.

  2. High-efficiency technology for lithium isotope separation using an ionic-liquid impregnated organic membrane

    International Nuclear Information System (INIS)

    Hoshino, Tsuyoshi; Terai, Takayuki

    2011-01-01

    The tritium needed as a fuel for fusion reactors is produced by the neutron capture reaction of lithium-6 ( 6 Li) in tritium breeding materials. New lithium isotope separation technique using ionic-liquid impregnated organic membranes (Ionic-Liquid-i-OMs) have been developed. Lithium ions are able to move by electrodialysis through certain Ionic-Liquid-i-OMs between the cathode and the anode in lithium solutions. In this report, the effects of protection cover and membrane thickness on the durability of membrane and the efficiency of isotope separation were evaluated. In order to improve the durability of the Ionic-Liquid-i-OM, we developed highly-durable Ionic-Liquid-i-OM. Both surfaces of the Ionic-Liquid-i-OM were covered by a nafion 324 overcoat or a cation exchange membrane (SELEMION TM CMD) to prevent the outflow of the ionic liquid. It was observed that the durability of the Ionic-Liquid-i-OM was improved by a nafion 324 overcoat. On the other hand, the organic membrane selected was 1, 2 or 3 mm highly-porous Teflon film, in order to efficiently impregnate the ionic liquid. The 6 Li isotope separation factor by electrodialysis using highly-porous Teflon film of 3 mm thickness was larger than using that of 1 or 2 mm thickness.

  3. Study of the degradation of liquid-organic radioactive wastes by electrochemical methods

    International Nuclear Information System (INIS)

    Hernandez A, J. I.

    2015-01-01

    In this study degradation studies were performed on blank samples, in which two electrochemical cells with different electrodes were used, the first is constituted by mesh electrodes Ti/Ir-Ta/Ti and the second by rod electrodes Ti/Ddb, using as reference an electrolytic medium of scintillation liquid and scintillation liquid more water, applying different potentials ranging from 1 to 25 V. After obtaining the benchmarks, the treatment was applied to samples containing organic liquid radioactive waste, in this case a short half-life radioisotope as Sulfur-35, the degradation characterization of organic compounds was performed in infrared spectrometry. (Author)

  4. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Tatsuya Fukushima

    2015-08-01

    Full Text Available Liquid organic light-emitting diodes (liquid OLEDs are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation.

  5. Prediciton of high-pressure vapor liquid equilibrium of six binary systems, carbon dioxide with six esters, using an artificial neural network model

    Directory of Open Access Journals (Sweden)

    C. Si-Moussa

    2008-03-01

    Full Text Available Artificial neural networks are applied to high-pressure vapor liquid equilibrium (VLE related literature data to develop and validate a model capable of predicting VLE of six CO2-ester binaries (CO2-ethyl caprate, CO2-ethyl caproate, CO2-ethyl caprylate, CO2-diethyl carbonate, CO2-ethyl butyrate and CO2-isopropyl acetate. A feed forward, back propagation network is used with one hidden layer. The model has five inputs (two intensive state variables and three pure ester properties and two outputs (two intensive state variables.The network is systematically trained with 112 data points in the temperature and pressure ranges (308.2-328.2 K, (1.665-9.218 MPa respectively and is validated with 56 data points in the temperature range (308.2-328.2 K. Different combinations of network architecture and training algorithms are studied. The training and validation strategy is focused on the use of a validation agreement vector, determined from linear regression analysis of the plots of the predicted versus experimental outputs, as an indication of the predictive ability of the neural network model. Statistical analyses of the predictability of the optimised neural network model show excellent agreement with experimental data (a coefficient of correlation equal to 0.9995 and 0.9886, and a root mean square error equal to 0.0595 and 0.00032 for the predicted equilibrium pressure and CO2 vapor phase composition respectively. Furthermore, the comparison in terms of average absolute relative deviation between the predicted results for each binary for the whole temperature range and literature results predicted by some cubic equation of state with various mixing rules and excess Gibbs energy models shows that the artificial neural network model gives far better results.

  6. Isobaric (vapour + liquid) equilibria data for the binary systems {l_brace}1,2-dichloroethane (1) + toluene (2){r_brace} and {l_brace}1,2-dichloroethane (1) + acetic acid (2){r_brace} at atmospheric pressure

    Energy Technology Data Exchange (ETDEWEB)

    Hasdemir, I. Metin [Istanbul University, Engineering Faculty, Chemical Engineering Department, Unit Operation and Thermodynamic Division, 34320, Istanbul (Turkey); Uslu, Hasan [Istanbul University, Engineering Faculty, Chemical Engineering Department, Unit Operation and Thermodynamic Division, 34320, Istanbul (Turkey)]. E-mail: hasanuslu@gmail.com

    2007-08-15

    In this study for two binary systems {l_brace}1,2-dichloroethane (1) + toluene (2){r_brace} and {l_brace}1,2- dichloroethane (1) + acetic acid (2){r_brace}, the isobaric (vapour + liquid) equilibrium (VLE) data have been measured at atmospheric pressure. An all-glass Fischer-Labodest type capable of handling pressures from (0.25 to 400) kPa and temperatures up to 523.15 K was used. Experimental uncertainties for pressure, temperature, and composition have been calculated for each binary system. The data were correlated by means of the NRTL, UNIQUAC, UNIFAC, and Wilson models with satisfactory results.

  7. Soft magnets from the self-organization of magnetic nanoparticles in twisted liquid crystals.

    Science.gov (United States)

    Matt, Benjamin; Pondman, Kirsten M; Asshoff, Sarah J; Ten Haken, Bennie; Fleury, Benoit; Katsonis, Nathalie

    2014-11-10

    Organizing magnetic nanoparticles into long-range and dynamic assemblies would not only provide new insights into physical phenomena but also open opportunities for a wide spectrum of applications. In particular, a major challenge consists of the development of nanoparticle-based materials for which the remnant magnetization and coercive field can be controlled at room temperature. Our approach consists of promoting the self-organization of magnetic nanoparticles in liquid crystals (LCs). Using liquid crystals as organizing templates allows us to envision the design of tunable self-assemblies of magnetic nanoparticles, because liquid crystals are known to reorganize under a variety of external stimuli. Herein, we show that twisted liquid crystals can be used as efficient anisotropic templates for superparamagnetic nanoparticles and demonstrate the formation of hybrid soft magnets at room temperature. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Reverse osmosis molecular differentiation of organic liquids using carbon molecular sieve membranes

    Science.gov (United States)

    Koh, Dong-Yeun; McCool, Benjamin A.; Deckman, Harry W.; Lively, Ryan P.

    2016-08-01

    Liquid-phase separations of similarly sized organic molecules using membranes is a major challenge for energy-intensive industrial separation processes. We created free-standing carbon molecular sieve membranes that translate the advantages of reverse osmosis for aqueous separations to the separation of organic liquids. Polymer precursors were cross-linked with a one-pot technique that protected the porous morphology of the membranes from thermally induced structural rearrangement during carbonization. Permeation studies using benzene derivatives whose kinetic diameters differ by less than an angstrom show kinetically selective organic liquid reverse osmosis. Ratios of single-component fluxes for para- and ortho-xylene exceeding 25 were observed and para- and ortho- liquid mixtures were efficiently separated, with an equimolar feed enriched to 81 mole % para-xylene, without phase change and at ambient temperature.

  9. Polycatenated 2D Hydrogen-Bonded Binary Supramolecular Organic Frameworks (SOFs) with Enhanced Gas Adsorption and Selectivity

    Science.gov (United States)

    2018-01-01

    Controlled assembly of two-dimensional (2D) supramolecular organic frameworks (SOFs) has been demonstrated through a binary strategy in which 1,4-bis-(4-(3,5-dicyano-2,6-dipyridyl)pyridyl)naphthalene (2), generated in situ by oxidative dehydrogenation of 1,4-bis-(4-(3,5-dicyano-2,6-dipyridyl)dihydropyridyl)naphthalene (1), is coupled in a 1:1 ratio with terphenyl-3,3′,4,4′-tetracarboxylic acid (3; to form SOF-8), 5,5′-(anthracene-9,10-diyl)diisophthalic acid (4; to form SOF-9), or 5,5′-bis-(azanediyl)-oxalyl-diisophthalic acid (5; to form SOF-10). Complementary O–H···N hydrogen bonds assemble 2D 63-hcb (honeycomb) subunits that pack as layers in SOF-8 to give a three-dimensional (3D) supramolecular network with parallel channels hosting guest DMF (DMF = N,N′-dimethylformamide) molecules. SOF-9 and SOF-10 feature supramolecular networks of 2D → 3D inclined polycatenation of similar hcb layers as those in SOF-8. Although SOF-8 suffers framework collapse upon guest removal, the polycatenated frameworks of SOF-9 and SOF-10 exhibit excellent chemical and thermal stability, solvent/moisture durability, and permanent porosity. Moreover, their corresponding desolvated (activated) samples SOF-9a and SOF-10a display enhanced adsorption and selectivity for CO2 over N2 and CH4. The structures of these activated compounds are well described by quantum chemistry calculations, which have allowed us to determine their mechanical properties, as well as identify their soft deformation modes and a large number of low-energy vibration modes. These results not only demonstrate an effective synthetic platform for porous organic molecular materials stabilized solely by primary hydrogen bonds but also suggest a viable means to build robust SOF materials with enhanced gas uptake capacity and selectivity. PMID:29651229

  10. (Vapour + liquid) equilibria, volumetric and compressibility behaviour of binary and ternary aqueous solutions of 1-hexyl-3-methylimidazolium chloride, methyl potassium malonate, and ethyl potassium malonate

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat; Mahdavi, Adibeh

    2012-01-01

    Highlights: ► VLE and volumetry of binary and ternary [C 6 mim][Cl], MPM and EPM aqueous solutions. ► Constant a w lines show small negative deviation from the linear isopiestic relation. ► Solute–water interactions follow the order: EPM > MPM > [C 6 mim][Cl]. ► MPM and EPM have a very weak salting-out effect on [C 6 mim][Cl] aqueous solutions. - Abstract: (Vapour + liquid) equilibrium data (water activity, vapour pressure, osmotic coefficient, and activity coefficient) of binary aqueous solutions of 1-hexyl-3-methylimidazolium chloride ([C 6 mim][Cl]), methyl potassium malonate, and ethyl potassium malonate and ternary {[C 6 mim][Cl] + methyl potassium malonate} and {[C 6 mim][Cl] + ethyl potassium malonate} aqueous solutions were obtained through the isopiestic method at T = 298.15 K. These results reveal that the ionic liquid behaves as surfactant-like and aggregates in aqueous solutions at molality about 0.4 mol · kg −1 . The constant water activity lines of all the ternary systems investigated show small negative deviations from the linear isopiestic relation (Zdanovskii–Stokes–Robinson rule) derived using the semi-ideal hydration model. The density and speed of sound measurements were carried out on solutions of methyl potassium malonate and ethyl potassium malonate in water and of [C 6 mim][Cl] in aqueous solutions of 0.25 mol · kg −1 methyl potassium malonate and ethyl potassium malonate at T = (288.15 to 308.15) K at atmospheric pressure. From the experimental density and speed of sound data, the values of the apparent molar volume, apparent molar isentropic compressibility and excess molar volume were evaluated and from which the infinite dilution apparent molar volume and infinite dilution apparent molar isentropic compressibility were calculated at each temperature. Although, there are no clear differences between the values of the apparent molar volume of [C 6 mim][Cl] in pure water and in methyl potassium malonate or ethyl

  11. Performance evaluation of organic emulsion liquid membrane on phenol removal.

    Science.gov (United States)

    Ng, Y S; Jayakumar, N S; Hashim, M A

    2010-12-15

    The percentage removal of phenol from aqueous solution by emulsion liquid membrane and emulsion leakage was investigated experimentally for various parameters such as membrane:internal phase ratio, membrane:external phase ratio, emulsification speed, emulsification time, carrier concentration, surfactant concentration and internal agent concentration. These parameters strongly influence the percentage removal of phenol and emulsion leakage. Under optimum membrane properties, the percentage removal of phenol was as high as 98.33%, with emulsion leakage of 1.25%. It was also found that the necessity of carrier for enhancing phenol removal was strongly dependent on the internal agent concentration. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. (Solid + liquid) solubility of organic compounds in organic solvents – Correlation and extrapolation

    International Nuclear Information System (INIS)

    Svärd, Michael; Rasmuson, Åke C.

    2014-01-01

    Highlights: • A novel, robust semi-empirical model for regression of solubility is presented. • The model fulfils thermodynamic boundary conditions at the melting point. • The activity coefficient is modelled with a scaled three-parameter Weibull function. • A three-parameter regression equation is derived from the semi-empirical model. • This equation provides good accuracy and robustness compared to standard models. - Abstract: A semi-empirical model is developed for the regression of (solid + liquid) solubility data with temperature. The model fulfils the required boundary conditions, allowing for robust extrapolation to higher and lower temperatures. The model combines a representation of the solid-state activity which accommodates a temperature-dependent heat capacity difference contribution with a scaled three-parameter Weibull function representing the temperature dependence of the solution activity coefficient at equilibrium. Evaluation of the model is based on previously published experimental calorimetric and solubility data of four organic compounds, fenoxycarb, fenofibrate, risperidone and butyl paraben, in five common organic solvents, methanol, ethyl acetate, acetone, acetonitrile, and toluene. The temperature dependence of the van’t Hoff enthalpy of solution and its components is analysed and discussed. Among the four compounds the influence of temperature on the enthalpy of fusion varies from moderate to substantial. Based on the semi-empirical model, a new equation containing three adjustable parameters is proposed for regression and extrapolation of solubility data for cases when only melting data and solubility data is available. The equation is shown to provide good accuracy and robustness when evaluated against the full semi-empirical model as well as against commonly used, more simple empirical equations. It is shown how such a model can be used to obtain an estimate of the heat capacity difference for cases where accurate

  13. Scaling relation and regime map of explosive gas–liquid flow of binary Lennard-Jones particle system

    KAUST Repository

    Inaoka, Hajime

    2012-02-01

    We study explosive gasliquid flows caused by rapid depressurization using a molecular dynamics model of Lennard-Jones particle systems. A unique feature of our model is that it consists of two types of particles: liquid particles, which tend to form liquid droplets, and gas particles, which remain supercritical gaseous states under the depressurization realized by simulations. The system has a pipe-like structure similar to the model of a shock tube. We observed physical quantities and flow regimes in systems with various combinations of initial particle number densities and initial temperatures. It is observed that a physical quantity Q, such as pressure, at position z measured along a pipe-like system at time t follows a scaling relation Q(z,t)=Q(zt) with a scaling function Q(ζ). A similar scaling relation holds for time evolution of flow regimes in a system. These scaling relations lead to a regime map of explosive flows in parameter spaces of local physical quantities. The validity of the scaling relations of physical quantities means that physics of equilibrium systems, such as an equation of state, is applicable to explosive flows in our simulations, though the explosive flows involve highly nonequilibrium processes. In other words, if the breaking of the scaling relations is observed, it means that the explosive flows cannot be fully described by physics of equilibrium systems. We show the possibility of breaking of the scaling relations and discuss its implications in the last section. © 2011 Elsevier B.V. All rights reserved.

  14. Microbial consortium role in processing liquid waste of vegetables in Keputran Market Surabaya as organic liquid fertilizer ferti-plus

    Science.gov (United States)

    Rizqi, Fauziah; Supriyanto, Agus; Lestari, Intan; Lita Indri D., L.; Elmi Irmayanti, A.; Rahmaniyah, Fadilatur

    2016-03-01

    Many activities in this market is directly proportional to increase production of vegetables waste, especially surabaya. Therefore, in this study aims to utilize liquid waste of vegetables into liquid organic fertilizer by mixing microbial consorsium. The microbial consorsium consist of Azotobacter chrococcum, Azospirillum brasilense, Rhizobium leguminosarum, Bacillus subtilis, Bacillus megaterium, Pseudomonas putida, and Pseudomonas fluorescens. Ttreatment of microbial concentrations (5%, 10%, 15%) and the length of the incubation period (7 days, 14 days, 21 days) used in this research. The parameters used are: C/N ratio, levels of CNP, and BOD value. This study uses a standard organic fertilizer value according SNI19-7030-2004, The results show the value of C/N ratio comply with the ISO standards. C levels showed an increase during the incubation period but not compare with standards. N levels that compare with standards are microbial treatment in all group concentration except control group with an incubation period of 21 days is > 7. P levels compare with the existing standards in the group of microbe concentration of 10% and 15% during the incubation period. The value of the initial BOD liquid waste of vegetable is 790.25 mg / L, this value indicates that the waste should not go into the water body. Accordingly, the results of this study can not be used as a liquid organic fertilizer, but potentially if it is used as a natural career or build natural soil. The Building natural soil is defined as the natural ingredients that can be used to improve soil properties.

  15. Dropping and semimicrotest glass reactions on beryllium, lenthanum, vanadyl and uranyl cations with synthetic organic dyes and their mutual determination in binary mixtures

    International Nuclear Information System (INIS)

    Shemyakin, F.M.; Novikova, A.A.; Reshetnyak, V.Yu.; Teplyakov, G.K.; Nekrasov, E.L.

    1978-01-01

    Coloured reactions for beryllium, lanthanum, vanadyl and uranyl cations with a number of organic dyes, have been studied. These reactions are used in dropping analysis on papers, impregnated with relevant dyes, and for semimicro-test glass reactions on the above cations. Sensitivity and maximum permissible dilution have been determined for each of the reactions. Mutual determinations of relevant couples of the above cations have been performed. It is shown, that such binary mixtures enable to freely open relevant cations

  16. Compressed liquid densities and excess molar volumes for (CO2 + 1-pentanol) binary system at temperatures from 313 to 363 K and pressures up to 25 MPa

    International Nuclear Information System (INIS)

    Zuniga-Moreno, Abel; Galicia-Luna, Luis A.; Sandler, Stanley I.

    2008-01-01

    Measurements of compressed liquid densities for 1-pentanol and for {CO 2 (1) + 1-pentanol (2)} system were carried out at temperatures from 313 K to 363 K and pressures up to 25 MPa. Densities were measured for binary mixtures at 10 different compositions, x 1 = 0.0816, 0.1347, 0.3624, 0.4651, 0.6054, 0.7274, 0.8067, 0.8573, 0.9216, and 0.9757. A vibrating tube densimeter was used to perform density measurements using two reference calibration fluids. The uncertainty is estimated to be better than ±0.2 kg . m -3 for the experimental density measurements. For each mixture and for 1-pentanol, the experimental densities were correlated using an explicit volume equation of six parameters and an 11-parameter equation of state (EoS). Excess molar volumes were determined for the (CO 2 + 1-pentanol) system using 1-pentanol densities calculated from the 11-parameter EoS and CO 2 densities calculated from a multiparameter reference EoS

  17. NaCl and KCl effect on (vapour + liquid) equilibrium of binary, ternary and quaternary systems involving water, ethanol and glycerol at low pressures

    International Nuclear Information System (INIS)

    Faggion, Heron; Gaschi, Paola S.; Corazza, Marcos L.; Cardozo-Filho, Lucio; Igarashi-Mafra, Luciana; Mafra, Marcos R.

    2016-01-01

    Highlights: • Salt effects on VLE data of systems present on biodiesel production, mainly in glycerol purification, are shown. • NaCl effect was not observed in the system {ethanol + NaCl + glycerol}. • Salting-out and salting-in effects were simultaneously observed in ternary systems. • VLE were also obtained for the quaternary system {water + ethanol + NaCl + glycerol}. - Abstract: Isobaric (vapour + liquid) equilibrium data at pressures of (14.0 to 91.2) kPa over the whole composition range were measured for binary systems of (ethanol + glycerol), (water + NaCl) and (water + KCl). Moreover, ternary systems (glycerol + ethanol + NaCl), (glycerol + water + NaCl) and (glycerol + water + KCl) and quaternary system of (water + ethanol + NaCl + glycerol) were measured at 91.2 kPa. All data were obtained using a Othmer-type ebulliometer. Due to the low solubility of NaCl in ethanol, it was not observed the salt effect on the VLE for the system (ethanol + NaCl + glycerol). The presence of salt (NaCl or KCl) increased the boiling point of water, and this effect was less pronounced at lower pressures, probably due to the low resistance to volatilization at such pressures. Simultaneous salting-in and salting-out effect were observed in the systems (water + NaCl + glycerol) and (water + KCl + glycerol), which is characterized in literature as a anomalous behaviour.

  18. Isobaric (vapour + liquid) equilibria for the binary system of glycidyl butyrate (1) and epichlorohydrin (2) at (100, 88.66, and 56) kPa

    International Nuclear Information System (INIS)

    Huang Qiang; Meng Qingyi; Ban Chunlan; Zhang Rui; Gao Yingyu

    2012-01-01

    Highlights: ► Isothermal VLE data for system glycidyl butyrate and epichlorohydrin at (100, 88.66, and 56) kPa. ► The ARD of calculated and experimental temperature were all lower than 0.99%. ► The RMSDs of vapour phase y 1 and were all lower than 0.0099. ► The thermodynamics consistency needs are calculated according to Herrington’s check. - Abstract: The (vapour + liquid) equilibria (VLE) data for the binary system of glycidyl butyrate (1) and epichlorohydrin (2) was studied at (100, 88.66, and 56) kPa. Azeotropic behaviour has not been found in this work. The activity coefficients were obtained by the non-linear least squares method based on minimization from the equilibrium data. Average relative deviations between calculated values and the experimental data of temperature are all lower than 0.99% for the three models at the three different pressures investigated. The root mean square deviations (RMSD) of gas phase compositions y 1 and temperatures are all lower than 0.0099 and 1.1 K for 100 kPa, 0.0094 and 4.5 K for 88.66 kPa and 0.0095 and 3.7 K for 56 kPa. The thermodynamic consistency of the calculated data is checked by the Herrington method. The experimental VLE data are compared with the correlated values obtained by means of the NRTL, UNIQUAC, and Wilson models.

  19. Volumetric properties of binary liquid mixtures: Application of the Prigogine-Flory-Patterson theory to excess molar volumes of dichloromethane with benzene or toluene

    International Nuclear Information System (INIS)

    Sun Yuping; Su Liyan; Wang Haijun

    2009-01-01

    The values of the density were measured for binary liquid mixtures of benzene and toluene with dichloromethane over entire range of concentration using a vibrating-tube densimeter at T = (288.15, 293.15, 298.15, and 303.15) K and atmospheric pressure. The excess molar volumes, calculated from the density results, are positive for the systems of dichloromethane with benzene over the whole concentration range and present an approximate sigmoid curve for the dichloromethane with toluene. The V m E values have been fitted to the Redlich-Kister polynomial equation, and other volumetric properties such as the partial molar volumes, V i -bar, the apparent molar volume, V φi , and the partial molar excess volumes at infinite dilution, (V i E -bar) ∞ , were calculated over the whole composition range. The Prigogine-Flory-Patterson (PFP) theory and its applicability in predicting V m E at T = 298.15 K are tested. Good agreement was found for the mixtures dichloromethane with benzene. For the mixtures dichloromethane with toluene, which shows an approximate S-shaped V m E behaviour, the correlation fails.

  20. Phase diagrams for binary liquid system tetradecane-neodymium(III) nitrate tri-n-butyl phosphate solvate and ternary liquid systems tetradecane-n-octanol (n-butanol, o-xylene, toluene)- neodymium(III) nitrate tri-n-butyl phosphate solvate at various temperatures

    International Nuclear Information System (INIS)

    Pyartman, A.K.; Kudrova, A.V.; Keskinov, V.A.

    2005-01-01

    Phase diagrams at temperatures from 298.15 to 344.85 K were studied for the binary liquid system tetradecane-neodymium(III) nitrate tri-n-butyl phosphate solvate and ternary liquid systems tetradecane-n-octanol (n-butanol, o-xylene, toluene)-neodymium(III) nitrate tri-n-butyl phosphate (TBP) solvate. The ternary phase diagrams consist of a homogeneous solution field and a liquid-liquid phase separation field: phase I is rich in tetradecane, and phase II is rich in [Nd(NO 3 ) 3 (TBP) 3 ]. The miscibility gaps in the binary system and the ternary systems narrow with an increase in temperature. The compositions at the critical solution points of the ternary system at various temperatures were determined [ru

  1. Measurement and correlation of isobaric vapor-liquid equilibrium for the binary system of cyclopentane and tetrahydrofuran

    Directory of Open Access Journals (Sweden)

    Yumei Li

    2014-09-01

    Full Text Available Isobaric vapor-liquid equilibrium (VLE data for the cyclopentane and tetrahydrofuran (THF system were measured at 101.3 kPa by using an equilibrium still. Thermodynamic consistency of the experimental data was confirmed by means of the Herington method. The experimental data were correlated and calculated by the Margules, Van Laar and Wilson activity-coefficient models, respectively. The Wilson and Van Laar activity-coefficient models are better than the Margules activity-coefficient model based on the average absolute deviations of temperature and the vapor-phase composition. For the Wilson and Van Laar activity-coefficient models the average absolute deviations between the experimental and the calculated values were 0.24 K and 0.23 K for the boiling point, and 0.0040 for vapor-phase composition, respectively. These agree well with the experimental data. Therefore, it was shown that the Wilson and Van Laar activity-coefficient models satisfactorily correlate the experimental results of the cyclopentane and tetrahydrofuran system.

  2. Lipase-Catalyzed Esterification of Ferulic Acid with Oleyl Alcohol in Ionic Liquid/Isooctane Binary Systems

    DEFF Research Database (Denmark)

    Chen, Bilian; Liu, Huanzhen; Guo, Zheng

    2011-01-01

    Lipase-catalyzed synthesis of ferulic acid oleyl alcohol ester in an ionic liquid (IL)/isooctane system was investigated. Considerable bioconversion and volumetric productivity were achieved in inexpensive 1-hexyl-3-methylimidazolium hexafluorophosphate ([Hmim][PF6]) and 1-methyl-3-octylimidazolium....... Variations of the ratios of IL/isooctane and concentrations of oleyl alcohol also profoundly affected the volumetric productivity. To a higher extent, [Hmim][PF6]/isooctane and [Omim][PF6]/isooctane show similar reaction behaviors. Under the optimized reaction conditions (60 °C, 150 mg of Novozym 435 and 100...... mg of molecular sieves), up to 48.50 mg/mL productivity of oleyl feruleate could be achieved for the [Hmim][PF6]/isooctane (0.5 mL/1.5 mL) system with a substrate concentration of ferulic acid of 0.08 mmol/mL and oleyl alcohol of 0.32 mmol; while an optimum volumetric productivity of 26.92 mg...

  3. Molecular interactions in the ionic liquid emim acetate and water binary mixtures probed via NMR spin relaxation and exchange spectroscopy.

    Science.gov (United States)

    Allen, Jesse J; Bowser, Sage R; Damodaran, Krishnan

    2014-05-07

    Interactions of ionic liquids (ILs) with water are of great interest for many potential IL applications. 1-Ethyl-3-methylimidazolium (emim) acetate, in particular, has shown interesting interactions with water including hydrogen bonding and even chemical exchange. Previous studies have shown the unusual behavior of emim acetate when in the presence of 0.43 mole fraction of water, and a combination of NMR techniques is used herein to investigate the emim acetate-water system and the unusual behavior at 0.43 mole fraction of water. NMR relaxometry techniques are used to describe the effects of water on the molecular motion and interactions of emim acetate with water. A discontinuity is seen in nuclear relaxation behavior at the concentration of 0.43 mole fraction of water, and this is attributed to the formation of a hydrogen bonded network. EXSY measurements are used to determine the exchange rates between the H2 emim proton and water, which show a complex dependence on the concentration of the mixture. The findings support and expand our previous results, which suggested the presence of an extended hydrogen bonding network in the emim acetate-water system at concentrations close to 0.50 mole fraction of H2O.

  4. Enzymatic Synthesis of Esculin Ester in Ionic Liquids Buffered with Organic Solvents

    DEFF Research Database (Denmark)

    Hu, Yifan; Guo, Zheng; Lue, Bena-Marie

    2009-01-01

    The enzymatic esterification of esculin catalyzed by Candida antarctica lipase B (Novozym 435) was carried out in ionic liquid (IL)-organic solvent mixed systems in comparison with individual systems. The reaction behaviors in IL-organic solvents were systemically evaluated using acetone as a model...... acquired in this work gives a better understanding of multiple interactions in IL-organic solvent systems, which provide guidance for system design and optimization....

  5. Direct Capture of Organic Acids From Fermentation Media Using Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Klasson, K.T.

    2004-11-03

    Several ionic liquids have been investigated for the extraction of organic acids from fermentation broth. Partitioning of representative organic acids (lactic, acetic, and succinic) between aqueous solution and nine hydrophobic ionic liquids was measured. The extraction efficiencies were strongly dependent on pH of the aqueous phase. Distribution coefficient was very good (approximately 60) at low succinic acid concentrations for one of the ionic liquids (trihexyltetradecylphosphonium methanesulfonate) at neutral pH. However, this ionic liquid had to be diluted with nonanol due to its high viscosity in order to be useful. A diluent (trioctylamine) was also added to this mixture. The results suggest that an extraction system based on ionic liquids may be feasible for succinic acid recovery from fermentation broth and that two ideal extraction stages are needed to reduce the concentration from 33 g/L to 1 g/L of succinic acid. Further studies are needed to evaluate other issues related to practical applications, including ionic liquid loss in the process, toxicity effects of ionic liquids during simultaneous fermentation and extractions.

  6. (Vapor + Liquid) Equilibrium (VLE) for Binary Lead-Antimony System in Vacuum Distillation: New Data and Modeling Using Nonrandom Two-Liquid (NRTL) Model

    Science.gov (United States)

    Xu, Junjie; Kong, Lingxin; Xu, Baoqiang; Yang, Bin; You, Yanjun; Xu, Shuai; Zhou, Yuezhen; Li, Yifu; Liu, Dachun

    2016-09-01

    In this work, new experimental vapor-liquid equilibrium (VLE) data of lead-antimony alloy (Pb-Sb alloy) in vacuum distillation are reported. The activity coefficients of components of Pb-Sb alloy were calculated by using the NRTL model. The calculated average relative deviations were ±0.1425 and ±0.2433 pct, and the average standard deviations were ±0.0009 and ±0.0007, respectively, for Pb and Sb. The VLE phase diagrams, such as the temperature composition ( T- x) and pressure composition ( P-x) diagrams of Pb-Sb alloy in vacuum distillation were predicted based on the NRTL model and VLE theory. The predicted results are consistent with the new experimental data indicating that VLE phase diagrams obtained by this method are reliable. The VLE phase diagrams of alloys will provide an effective and intuitive way for the technical design and realization of recycling and separation processes. The VLE data may be used in separation processes design, and the thermodynamic properties as the key parameters in specific applications.

  7. A new concept of hollow fiber liquid-liquid-liquid microextraction compatible with gas chromatography based on two immiscible organic solvents.

    Science.gov (United States)

    Ghambarian, Mahnaz; Yamini, Yadollah; Esrafili, Ali; Yazdanfar, Najmeh; Moradi, Morteza

    2010-09-03

    A new concept of liquid-liquid-liquid microextraction (LLLME) was introduced based on applying two immiscible organic solvents in lumen and wall pores of hollow fiber (HF). With this methodology, analytes of interest can be extracted from aqueous sample, into a thin layer of organic solvent (dodecane) sustained in the pores of a porous hollow fiber, and further into a muL volume of organic acceptor (acetonitrile or methanol) located inside the lumen of the hollow fiber. Some chlorophenols (CPs) were selected as model compounds for developing and evaluating of the method performance. The analysis was performed by gas chromatography-electron capture detection (GC-ECD) without derivatization. The factors affecting the HF-LLLME of target compounds were investigated and the optimal extraction conditions were established. Under the optimum conditions, preconcentration factors in a range of 208-895 were obtained. The performance of the proposed method was studied in terms of linear dynamic ranges (LDRs from 0.02 to 100ngmL(-1)), linearity (R(2)> or =0.995), precision (RSD %HF-LLLME also served as a technique for sample clean-up. 2010 Elsevier B.V. All rights reserved.

  8. Binary and ternary solid-liquid phase equilibrium for the systems formed by succinic acid, urea and diethylene glycol: Determination and modelling

    International Nuclear Information System (INIS)

    Li, Yanxun; Li, Congcong; Han, Shuo; Zhao, Hongkun

    2017-01-01

    Highlights: • Solubility of succinic acid in diethylene glycol was determined. • Solubility of succinic acid + urea + diethylene glycol was determined. • Three ternary phase diagrams were constructed for the ternary system. • The ternary phase diagrams were correlated using NRTL model. - Abstract: In this work, the solid-liquid phase equilibrium for binary system of succinic acid + diethylene glycol at the temperatures ranging from (298.15 to 333.15) K and ternary system of (succinic acid + urea + diethylene glycol) at 298.15 K, 313.15 K and 333.15 K was built by using the isothermal saturation method under atmospheric pressure (101.2 kPa), and the solubilities were determined by a high-performance liquid chromatography. The solid-phases formed in the ternary system of ((succinic acid + urea + diethylene glycol)) were confirmed by Schreinemaker’s method of wet residue, which corresponded to urea, succinic acid, and adduct 2:1 urea-succinic acid (mole ratio). Three isothermal phase diagrams for the ternary system were constructed based on the measured mutual solubility. Each isothermal phase diagram included six crystallization fields, three invariant curves, two invariant points and two co-saturated points. The crystalline region of adduct 2:1 urea-succinic acid is larger than those of the other two solids. The solubility of succinic acid in diethylene glycol was correlated with the modified Apelblat equation, λh equation and NRTL model; and the mutual solubility of the ternary ((succinic acid + urea + diethylene glycol)) system was correlated and calculated by the NRTL model. The interaction parameters’ values of succinic acid-urea were acquired. The value of RMSD was 7.11 × 10 −3 for the ternary system. The calculation results had good agreement with the experiment values. Furthermore, the densities of equilibrium liquid phase were acquired. The phase diagrams and the thermodynamic model of the ternary system could provide the basis for design of

  9. Evaluation of natural organic matter adsorption on Fe-Al binary oxide: Comparison with single metal oxides.

    Science.gov (United States)

    Kim, Kyung-Jo; Jang, Am

    2017-10-01

    The adsorption characteristics of three types of standard natural organic matter (NOM) on iron-aluminum (Fe-Al) binary oxide (FAO) and heated aluminum oxide (HAO) under natural surface water condition were investigated using various adsorption isotherms and kinetic models. FAO was synthesized by Fe oxide and Al oxide, mixed using the sol-gel hydrothermal method, and aluminum sulfate was used to make HAO. The amount of adsorbed NOM was increased to 79.6 mg g -1 for humic acid (HA), 101.1 mg g -1 for sodium alginate (SA) in the FAO, but the maximum adsorption capacity of bovine serum albumin (BSA) (461.3 mg g -1 ) was identified on the HAO. The adsorption of HA, BSA, and SA dramatically increased (>70%) on FAO in 5 min and HA was significantly removed (90%) among the three NOM. Mutual interaction among the adsorbed NOM (BSA) occurred on the HAO surface during adsorption due to formation of monolayer by protein molecules at neutral pH. The pseudo second order clearly represented the adsorption kinetics for both adsorbents. The equilibrium isotherm data of FAO was better exhibited by the Langmuir isotherm model than by the Freundlich isotherm, but HAO was a slightly non-linear Langmuir type. Also, the free energy, enthalpy, and entropy of adsorption were determined from the thermodynamic experiments. Adsorption on FAO was spontaneous and an exothermic process. Fluorescence excitation-emission matrix (FEEM) spectra were used to elucidate the variation in organic components. The results obtained suggests that the significant changes in the surface property of the adsorbent (large surface area, increased crystalline intensity, and fine particle size) were effectively determined by the Fe-synthesized Al oxide mixed using the sol-gel hydrothermal method. The results also suggest that the changes enhanced the adsorption capacity, whereby three NOM were notably removed on FAO regardless of NOM characteristics (hydrophobic and hydrophilic). Copyright © 2017 Elsevier

  10. Methods for calculation of engineering parameters for gas separation. [vapor pressure and solubility of gases in organic liquids

    Science.gov (United States)

    Lawson, D. D.

    1979-01-01

    A group additivity method is generated which allows estimation, from the structural formulas alone, of the energy of vaporization and the molar volume at 25 C of many nonpolar organic liquids. Using these two parameters and appropriate thermodynamic relations, the vapor pressure of the liquid phase and the solubility of various gases in nonpolar organic liquids are predicted. It is also possible to use the data to evaluate organic and some inorganic liquids for use in gas separation stages or liquids as heat exchange fluids in prospective thermochemical cycles for hydrogen production.

  11. Ionic Liquid-Assisted Liquid-Liquid Microextraction based on the Solidification of Floating Organic Droplet in Sample Preparation for Simultaneous Determination of Herbicide Residues in Fruits.

    Science.gov (United States)

    Vichapong, Jitlada; Santaladchaiyakit, Yanawath; Burakham, Rodjana; Srijaranai, Supalax

    2017-09-01

    An ionic liquid-assisted liquid-liquid microextraction based on the solidification of floating organic droplet (ILSFODLLME) was investigated for analysis of four herbicide residues (i.e. simazine, atrazine, propazine, and linuron) by high performance liquid chromatography. For ILSFOD-LLME, the optimal extraction conditions were 5% w/v Na2SO4, 30 μL [C4MIM][PF6]RTIL, 100 μL of 1-octanol, ultrasonication time 30 s and centrifugation at 5000 rpm for 5 min. Under the optimal conditions, linearity was obtained within the range of 0.1-1000 μg kg-1, with the correlation coefficients greater than 0.999. The high enrichment factors of the target analytes were in the range of 64.5-139.9 and low limit of detection could be obtained. A modified QuEChERS was applied for fruit sample preparation before analysis. Matrix effects were also investigated using matrix matched standards for construction of the calibration graph. The proposed method has been successfully applied for extraction and preconcentration of herbicide residues in fruit samples, and good recoveries in the range of 87.32% to 99.93% were obtained.

  12. 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, Durban, 4000, South Africa. Received 15 August 2011, revised 15 April 2012, accepted 29 June 2012. ABSTRACT. The recovery of aromatic organic solvents from mixtures containing aliphatic compounds has economic as well as environmental.

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

    African Journals Online (AJOL)

    The recovery of aromatic organic solvents from mixtures containing aliphatic compounds has economic as well as environmental significance. This is so because viable methods have not been established for the recovery from mixtures in which the components of value are 20 % (v/v) or less. In the light of this, we ...

  14. Interacting binaries

    CERN Document Server

    Shore, S N; van den Heuvel, EPJ

    1994-01-01

    This volume contains lecture notes presented at the 22nd Advanced Course of the Swiss Society for Astrophysics and Astronomy. The contributors deal with symbiotic stars, cataclysmic variables, massive binaries and X-ray binaries, in an attempt to provide a better understanding of stellar evolution.

  15. Decontamination of radioactive liquid wastes by hydrophytic vegetal organisms

    International Nuclear Information System (INIS)

    Cecal, Al; Popa, K.; Potoroaca, V.; Melniciuc-Puica, N.

    2001-01-01

    Bioaccumulation of some radioactive ions from contaminated waste solutions, on hydrophytic vegetal organisms is discussed. In order to follow the distribution of radioactive ions 137 Cs + , 60 Co 2+ and 51 Cr 3+ in various cell components extracted from Spirulina platensis, Porphiridium cruentum, Scenedesmus quadricauda, Lemna minor, Elodea canadensis, Pistia stratiotes and Riccia fluitans, the plants were cultivated in radioactive solutions. The resulting complexes were extracted with acetone or acetic acid and separated chromatographically. The results show an intense activity of the polysaccharide and lipoid fractions in the bioaccumulation process. The bioaccumulation varies in the series: Spirulina > Scenedesmus > Porphiridium > Riccia > Pistia > Lemna ≥ Elodea for 137 Cs + and 60 Co 2+ ; Spirulina > Porphiridium > Scenedesmus > Riccia > Pistia > Lemna > Elodea for 51 Cr 3+ . (author)

  16. Thermal, Mutual and Self-Diffusivities in Binary Liquid Mixtures Consisting of n-Alkanes with Dissolved Gases at Infinite Dilution.

    Science.gov (United States)

    Giraudet, Cédric; Klein, Tobias; Zhao, Guanjia; Rausch, Michael Heinrich; Koller, Thomas M; Fröba, Andreas Paul

    2018-02-27

    In the present study, dynamic light scattering (DLS) experiments and molecular dynamics (MD) simulations were used for the investigation of the molecular diffusion in binary mixtures of liquids with dissolved gases at macroscopic thermodynamic equilibrium. Model systems based on the n-alkanes n-hexane or n-decane with dissolved hydrogen, helium, nitrogen, or carbon monoxide were studied at temperatures between 303 and 423 K and at gas mole fractions below 0.06. With DLS, the relaxation behavior of microscopic equilibrium fluctuations in concentration and temperature is analyzed to determine simultaneously mutual and thermal diffusivity in an absolute way. The present measurements document that even for mole gas fractions of 0.007 and Lewis numbers close to 1, reliable mutual diffusivities with an average expanded uncertainty (k = 2) of 13% can be obtained. Using suitable molecular models for the mixture components, the self-diffusion coefficient of the gases was determined by MD simulations with an averaged expanded uncertainty (k = 2) of 7%. The DLS experiments showed that the thermal diffusivity of the studied systems is not affected by the dissolved gas and agrees with the reference data for the pure n-alkanes. In agreement with theory, mutual diffusivities and self-diffusivities were found to be equal mostly within combined uncertainties at conditions approaching infinite dilution of the gas. Our DLS and MD results, representing the first available data for the present systems, reveal distinctly larger mass diffusivities for mixtures containing hydrogen or helium compared to mixtures containing nitrogen or carbon monoxide. Based on the broad range of mass diffusivities of the studied gas-liquid systems covering about two orders of magnitude from about 10 -9 to 10 -7 m 2 ·s -1 , effects of the solvent and solute properties on the temperature-dependent mass diffusivities are discussed. This contributed to the development of a simple semi-empirical correlation

  17. Self-Assembled Fibers Containing Stable Organic Radical Moieties: Alignment and Magnetic Properties in Liquid Crystals.

    Science.gov (United States)

    Eimura, Hiroki; Umeta, Yoshikazu; Tokoro, Hiroko; Yoshio, Masafumi; Ohkoshi, Shin-Ichi; Kato, Takashi

    2016-06-20

    Macroscopically oriented stable organic radicals have been obtained by using a liquid-crystalline (LC) gel composed of an l-isoleucine-based low molecular weight gelator containing a 2,2,6,6-tetramethylpiperidine 1-oxyl moiety. The LC gel has allowed magnetic measurements of the oriented organic radical. The gelator has formed fibrous aggregates in liquid crystals via intermolecular hydrogen bonds. The fibrous aggregates of the radical gelator are formed and oriented on cooling by applying a magnetic field to the mixture of liquid crystals and the gelator. Superconducting quantum interference device (SQUID) measurements have revealed that both oriented and nonoriented fibrous aggregates exhibited antiferromagnetic interactions, in which super-exchange interaction constant J is estimated as -0.89 cm(-1) . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Characterization of natural organic colorants in historical and art objects by high-performance liquid chromatography.

    Science.gov (United States)

    Pauk, Volodymyr; Barták, Petr; Lemr, Karel

    2014-12-01

    High-performance liquid chromatography plays an important role in analysis of historical organic colorants. A number of papers have been published in this field over the last 30 years. Classification of the most commonly used natural dyes and an overview of high-performance liquid chromatography methods with main focus on recent works (2008 to the beginning of 2014) are provided. The review deals with an entire analytical protocol covering sample preparation, chromatographic separation, and suitable detection (UV/visible and fluorescent spectroscopy and mass spectrometric techniques). High-performance liquid chromatography has been successfully used in the complete characterization of some organic dyestuffs present in historical and art objects. The possibilities and difficulties for identification of natural sources of historical colorants are also discussed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Supramolecular [60]fullerene liquid crystals formed by self-organized two-dimensional crystals.

    Science.gov (United States)

    Zhang, Xiaoyan; Hsu, Chih-Hao; Ren, Xiangkui; Gu, Yan; Song, Bo; Sun, Hao-Jan; Yang, Shuang; Chen, Erqiang; Tu, Yingfeng; Li, Xiaohong; Yang, Xiaoming; Li, Yaowen; Zhu, Xiulin

    2015-01-02

    Fullerene-based liquid crystalline materials have both the excellent optical and electrical properties of fullerene and the self-organization and external-field-responsive properties of liquid crystals (LCs). Herein, we demonstrate a new family of thermotropic [60]fullerene supramolecular LCs with hierarchical structures. The [60]fullerene dyads undergo self-organization driven by π-π interactions to form triple-layer two-dimensional (2D) fullerene crystals sandwiched between layers of alkyl chains. The lamellar packing of 2D crystals gives rise to the formation of supramolecular LCs. This design strategy should be applicable to other molecules and lead to an enlarged family of 2D crystals and supramolecular liquid crystals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Visualizing Molecular Chirality in the Organic Chemistry Laboratory Using Cholesteric Liquid Crystals

    Science.gov (United States)

    Popova, Maia; Bretz, Stacey Lowery; Hartley, C. Scott

    2016-01-01

    Although stereochemistry is an important topic in second-year undergraduate organic chemistry, there are limited options for laboratory activities that allow direct visualization of macroscopic chiral phenomena. A novel, guided-inquiry experiment was developed that allows students to explore chirality in the context of cholesteric liquid crystals.…

  1. In vitro Demonstration of Cancer Inhibiting Properties from Stratified Self-Organized Plasma-Liquid Interface.

    Science.gov (United States)

    Chen, Zhitong; Zhang, Shiqiang; Levchenko, Igor; Beilis, Isak I; Keidar, Michael

    2017-09-22

    Experiments on plasma-liquid interaction and formation of thinly stratified self-organized patterns at plasma-liquid interface have revealed a nontrivial cancer-inhibiting capability of liquid media treated at self-organized interfacial patterns. A pronounced cancer suppressing activity towards at least two cancer cells, breast cancer MDA-MB-231 and human glioblastoma U87 cancer lines, was demonstrated in vitro. After a short treatment at the thinly stratified self-organized plasma-liquid interface pattern, the cancer inhibiting media demonstrate pronounced suppressing and apoptotic activities towards tumor cells. Importantly, this would have been impossible without interfacial stratification of plasma jet to thin (of several µm) current filaments, which plays a pivotal role in building up the cancer inhibition properties. Furthermore, thinly stratified, self-organized interfacial discharge is capable to efficiently control the ROS and RNS concentrations in the cancer-inhibiting media. In particular, abnormal ROS/RNS ratios are not achievable in discharges since they do not form stratified thin-filament patterns. Our findings could be tremendously important for understanding the cancer proliferation problem and hence, the potential of this approach in tackling the challenges of high cancer-induced mortality should be explored.

  2. Fertigation with liquid fish emulsion for organic production of highbush blueberry

    Science.gov (United States)

    Liquid fish emulsion is a common fertilizer used for organic production of highbush blueberry. The product is often applied by hand or with a sprayer but can also be injected through a drip irrigation system, otherwise referred to as fertigation. Fertigation is more efficient and less labor-intensiv...

  3. Low melting mixtures in organic synthesis – an alternative to ionic liquids?

    OpenAIRE

    Ruß, Carolin; König, Burkhard

    2012-01-01

    There is a pressing need to replace hazardous and harmful solvents with “green” or “sustainable” media. Natural compounds have recently been used to produce deep eutectic solvents, sugar melts, or ionic liquids. This review presents physicochemical data of these reaction media and highlights recent advances in their use in organic synthesis and biotransformations.

  4. Liquid-liquid extraction of ruthenium(III) thiocyanate with hexamethylphosphoramide: direct spectrophotometric determination in the organic phase

    International Nuclear Information System (INIS)

    Mitra, B.K.; Pal, B.K.; Chowdhury, R.P.

    1982-01-01

    Ru(III) thiocyanate has been extracted with hexamethylphosphoramide(HMPA) in methyl isobutyl ketone (MIBK). Thus the extractability, sensitivity and selectivity are improved over the simple binary Ru(III) thiocyanate system in spectrophotometric determination of ruthenium in the organic phase. The maximum colour develops on the steam bath, at the acidity range of 1.5 - 2.5 M with HCl and ammonium thiocyanate concentration range of 0.25 - O.5 M. The colour is completely extractable in MIBK when 1.5 - 3.0 ml HMPA is used and show maximum absorbance at 570 nm. The colour system obeys Beer's law for 0.7 - 13 μg Ru/ml and the optimum concentration range is 2 - 13 μg/ml. The molar absorptivity and sensitivity are 6940 l . mole -1 cm -1 and 0.0145 μg/cm 2 respectively. The percent relative error is 2.72%. The method is very simple and does not require oxidation and subsequent distillation. The method can be applied in the presence of osmium. (Author)

  5. Computation of liquid-liquid equilibria and phase stabilities: implications for RH-dependent gas/particle partitioning of organic-inorganic aerosols

    Directory of Open Access Journals (Sweden)

    A. Zuend

    2010-08-01

    Full Text Available Semivolatile organic and inorganic aerosol species partition between the gas and aerosol particle phases to maintain thermodynamic equilibrium. Liquid-liquid phase separation into an organic-rich and an aqueous electrolyte phase can occur in the aerosol as a result of the salting-out effect. Such liquid-liquid equilibria (LLE affect the gas/particle partitioning of the different semivolatile compounds and might significantly alter both particle mass and composition as compared to a one-phase particle. We present a new liquid-liquid equilibrium and gas/particle partitioning model, using as a basis the group-contribution model AIOMFAC (Zuend et al., 2008. This model allows the reliable computation of the liquid-liquid coexistence curve (binodal, corresponding tie-lines, the limit of stability/metastability (spinodal, and further thermodynamic properties of multicomponent systems. Calculations for ternary and multicomponent alcohol/polyol-water-salt mixtures suggest that LLE are a prevalent feature of organic-inorganic aerosol systems. A six-component polyol-water-ammonium sulphate system is used to simulate effects of relative humidity (RH and the presence of liquid-liquid phase separation on the gas/particle partitioning. RH, salt concentration, and hydrophilicity (water-solubility are identified as key features in defining the region of a miscibility gap and govern the extent to which compound partitioning is affected by changes in RH. The model predicts that liquid-liquid phase separation can lead to either an increase or decrease in total particulate mass, depending on the overall composition of a system and the particle water content, which is related to the hydrophilicity of the different organic and inorganic compounds. Neglecting non-ideality and liquid-liquid phase separations by assuming an ideal mixture leads to an overestimation of the total particulate mass by up to 30% for the composition and RH range considered in the six

  6. Measurement and correlation of (vapour–liquid) equilibrium for binary mixtures composed of 1-(ethoxymethoxy)-propane with ethanol and 1-propanol at 101.33 kPa

    International Nuclear Information System (INIS)

    Song, Yu-He; Wei, Ping-He; Song, Juan; Huang, Hua; Li, Joshua Qingsong

    2017-01-01

    Highlights: • The VLE data of 1-(ethoxymethoxy)-propane with ethanol and 1-propanol were reported. • A series of saturated vapor pressure data of 1-(ethoxymethoxy)-propane were reported. • The VLE data provide a reference for separating 1-(ethoxymethoxy)-propane. - Abstract: Experimental vapour–liquid equilibrium (VLE) for binary mixtures composed of 1-(ethoxymethoxy)-propane with ethanol and 1-propanol at 101.33 kPa was measured. The experimental data of saturated vapour pressure for 1-(ethoxymethoxy)-propane was measured. The measurements were performed using an improved Rose equilibrium still. Two binary systems present a minimum boiling azeotropes at 101.33 kPa, in which the azeotropic temperature and composition are 351.45 K and 95.98 mol% (ethanol) and 369.44 K and 81.30 mol% (1-propanol), respectively. The VLE experimental values were correlated with the help of the NRTL, Wilson, and van Laar models for which the binary interaction parameters are reported. The results showed that the measurements have a good correlation under the NRTL and Wilson models about two binary systems, respectively. The thermodynamic consistency of the VLE experimental data was checked using the traditional area test and the direct test methods.

  7. Density and Comparative Refractive Index Study on Mixing Properties of Binary Liquid Mixtures of Eucalyptol with Hydrocarbons at 303.15, 308.15 and 313.15 K

    Directory of Open Access Journals (Sweden)

    Sangita Sharma

    2007-01-01

    Full Text Available Density and refractive index have been experimentally determined for binary liquid mixtures of eucalyptol with hydrocarbons (o-xylene,m-xylene and toluene at 303.15 K, 308.15 K and 313.15 K. A comparative study of Lorentz-Lorenz (L-L, Weiner (W, Heller (H, Gladstone-Dale (G-D, Arago-Biot (A-B, Eykman (Eyk, Newton (Nw, Eyring-John (E-J and Oster (Os relations for determining the refractive index of a liquid has been carried out to test their validity for the three binaries over the entire mole fraction range of eucalyptol at 303.15 K, 308.15 K and 313.15 K. Comparison of various mixing rules has been expressed in terms of average deviation. From the experimentally measured values, refractive index deviations at different temperatures have been computed and fitted to the Redlich-Kister polynomial equation to derive the binary coefficients and standard deviations.

  8. Safety analysis of exothermic reaction hazards associated with the organic liquid layer in tank 241-C-103

    Energy Technology Data Exchange (ETDEWEB)

    Postma, A.K.; Bechtold, D.B.; Borsheim, G.L.; Grisby, J.M.; Guthrie, R.L.; Kummerer, M.; Turner, D.A. [Westinghouse Hanford Co., Richland, WA (United States); Plys, M.G. [Fauske and Associates, Inc., Burr Ridge, IL (United States)

    1994-03-01

    Safety hazards associated with the interim storage of a potentially flammable organic liquid in waste Tank C-103 are identified and evaluated. The technical basis for closing the unreviewed safety question (USQ) associated with the floating liquid organic layer in this tank is presented.

  9. Determination of parabens in beverage samples by dispersive liquid-liquid microextraction based on solidification of floating organic droplet.

    Science.gov (United States)

    Hou, Fang; Deng, Xiaoying; Jiang, Xinyu; Yu, Jingang

    2014-01-01

    A simple and efficient method for dispersive liquid-liquid microextraction of methylparaben, ethylparaben, propylparaben and butylparaben in real beverage samples was developed. It is making use of solidified floating organic droplets of 1-dodecanol which has low density and a proper melting point. Parameters influencing the extraction efficiency, such as the type of extraction and dispersive solvent, the volume of extraction and dispersive solvent, salt effect, pH, extraction time, were optimized and resulted in enrichment factors (EFs) of 84 for methylparaben, 103 for ethylparaben, 115 for propylparaben and 126 for butylparaben. The limits of detection for parabens were 1.52, 1.06, 0.32 and 0.17 ng/mL, respectively. Excellent linearity with coefficients of correlation from 0.9970 to 0.9997 was observed in the concentration range of 5-1,000 ng/mL. The repeatability of the proposed method expressed as relative standard deviations (RSDs) ranged from 2.54 to 3.89% (n = 5). The relative recoveries for parabens in beverage samples were good and in the ranges of 89.8-109.9, 90.2-107.3, 90.9-101.7 and 92.3-118.1%, respectively. Thus, the proposed method has excellent potential for the determination of parabens in beverage samples. © The Author [2013]. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  10. Visual observation of gas hydrates nucleation and growth at a water - organic liquid interface

    Science.gov (United States)

    Stoporev, Andrey S.; Semenov, Anton P.; Medvedev, Vladimir I.; Sizikov, Artem A.; Gushchin, Pavel A.; Vinokurov, Vladimir A.; Manakov, Andrey Yu.

    2018-03-01

    Visual observation of nucleation sites of methane and methane-ethane-propane hydrates and their further growth in water - organic liquid - gas systems with/without surfactants was carried out. Sapphire Rocking Cell RCS6 with transparent sapphire cells was used. The experiments were conducted at the supercooling ΔTsub = 20.2 °C. Decane, toluene and crude oils were used as organics. Gas hydrate nucleation occurred on water - metal - gas and water - sapphire - organic liquid three-phase contact lines. At the initial stage of growth hydrate crystals rapidly covered the water - gas or water - organics interfaces (depending on the nucleation site). Further hydrate phase accrete on cell walls (sapphire surface) and into the organics volume. At this stage, growth was accompanied by water «drawing out» from under initial hydrate film formed at water - organic interface. Apparently, it takes place due to water capillary inflow in the reaction zone. It was shown that the hydrate crystal morphology depends on the organic phase composition. In the case of water-in-decane emulsion relay hydrate crystallization was observed in the whole sample, originating most likely due to the hydrate crystal intergrowth through decane. Contacts of such crystals with adjacent water droplets result in rapid hydrate crystallization on this droplet.

  11. Synthesis of organic liquids/geo-polymer composites for the immobilization of nuclear wastes

    International Nuclear Information System (INIS)

    Cantarel, Vincent

    2016-01-01

    This work is included in the management of radioactive organic liquids research field. The process is based on an emulsification of organic liquid in an alkali silicate solution allowing the synthesis of a geo-polymer matrix. The first part of this work consists in carrying out a screening on different organic liquids. A model system representative of the various oils and a geo-polymer reference formulation are then defined. The second part deals with the structuration of the organic liquid/geo-polymer structuration, from the mixture of the reactants to the final material. It aims at determining the phenomena allowing the synthesis of a homogeneous composite. The last two parts aim at characterizing the composite by studying its structure (chemical structure, porosity of the geo-polymer and dispersion of the oil) and its properties with respect to the application to the immobilization of radioactive waste. Unlike calcium silicate-based cementitious matrices, the structure of the geo-polymer is not affected by the chemical nature of the organic liquids. Only acid oils inhibit or slow down the geo-polymerization reaction. In order to obtain a homogeneous material, the presence of surfactant molecules is necessary. The emulsion stabilization mechanism at the base of the process is relying on a synergy between the surfactant molecules and the aluminosilicate particles present in the geo-polymer paste. The kinetics (chemical and mechanical) of the geo-polymerization are not impacted by the presence of oil or surfactants. Only an increase in the viscoelastic moduli and the elastic character of the pastes can be observed. This difference in rheological behavior is mainly due to the presence of surfactant. The structure of the matrix is identical to that of a pure geo-polymer of the same formulation. The organic liquid is dispersed in spherical inclusions whose radius is between 5 and 15 μm. These droplets are separated from each other, and from the environment by the

  12. Isothermal (vapour + liquid) equilibria for binary mixtures of diisopropyl ether with (methanol, or ethanol, or 1-butanol): Experimental data, correlations, and predictions

    International Nuclear Information System (INIS)

    Reddy, Prashant; Benecke, Travis P.; Ramjugernath, Deresh

    2013-01-01

    Highlights: ► Isothermal VLE measurements for DIPE + methanol at T = (305.15, 315.15, and 325.15) K. ► Isothermal VLE measurements for DIPE + ethanol at T = (313.15, 323.15, and 333.15) K. ► Isothermal VLE measurements for DIPE + 1-butanol at T = (318.15, and 338.15) K. ► Data correlated using both the γ–ϕ and ϕ–ϕ approaches. -- Abstract: A glass dynamic recirculating still was employed for the measurement of isothermal (vapour + liquid) equilibrium (VLE) data for the binary mixtures of diisopropyl ether (DIPE) + alcohol, viz. (DIPE + methanol), (DIPE + ethanol), and (DIPE + 1-butanol) at T = (305.15, 315.15, and 325.15) K, T = (313.15, 323.15, and 333.15) K and T = (318.15, and 338.15) K, respectively. The combined standard uncertainties in the reported system pressures, temperatures and phase compositions are ±0.2 kPa, ±0.1 K and ±0.003, respectively. Maximum pressure azeotropes were observed for all isotherms of the (DIPE + methanol) and (DIPE + ethanol) systems. The experimental results were correlated using both the γ–ϕ and ϕ–ϕ approaches. For the correlation of the VLE data with the γ–ϕ approach, the Wilson, NRTL and UNIQUAC G E models with the truncated two-term virial equation of state (Hayden and O’Connell correlation for second virial coefficient computation) were used. In the ϕ–ϕ correlation approach, the Peng–Robinson equation of state was used with the Wong–Sander mixing rules incorporating the same G E models used in the γ–ϕ approach. Comparisons between the experimental values and predictions using UNIFAC (Dortmund) and the Predictive Soave–Redlich–Kwong (PSRK) model were performed to test the predictive capabilities of these models for the experimental data measured here. The thermodynamic consistency of the experimental data was checked with the Herington area test

  13. Profiling of phytohormones and their major metabolites in rice using binary solid-phase extraction and liquid chromatography-triple quadrupole mass spectrometry.

    Science.gov (United States)

    Cao, Zhao-Yun; Sun, Li-Hua; Mou, Ren-Xiang; Zhang, Lin-Ping; Lin, Xiao-Yan; Zhu, Zhi-Wei; Chen, Ming-Xue

    2016-06-17

    A high-throughput method was developed using liquid chromatography-triple quadrupole mass spectrometry (LC-MS/MS) for the profiling and quantification of 43 phytohormones and their major metabolites, including auxins, abscisic acid, jasmonic acid, salicylic acid, cytokinins and gibberellins in a single sample extract. Considerable matrix effects (MEs) were observed (with most ME values in the range of 29%-84%, but maximum MEs of more than 115%, even up to 206%, existed) in sample extracts for most of the compounds studied. The application of the proposed binary solid-phase extraction using polymer anion and polymer cation exchange resins, was performed to purify 25 acidic and 18 alkaline phytohormones and their major metabolites prior to the LC-MS/MS analysis, which markedly reduced the MEs to acceptable levels, with ME values in the range of ±15%. Moreover, all of the isomers of cytokinins and their metabolites were fully separated on a sub-2μm particle C18 reverse-phase column with the optimized mobile phase consisting of methanol and 5mM ammonium formate. The method showed good linearity for all 43 analytes with regression coefficients (R(2))>0.991. Limits of detection ranged from 0.19 to 7.57 fmol for auxin, gibberellins, abscisic acid and their metabolites, 29.7 fmol for jasmonic acid, 18.1 fmol for salicylic acid, and from 0.03 to 0.31 fmol for cytokinins and their metabolites. The mean recoveries for all of the analytes were from 70.7 to 118.5%, and the inter-day precisions (n=6) were less than 18.7%, with intra-day precisions (n=6) within 25.4%. Finally, 20 compounds were successfully quantified in rice sample profiles using the proposed method, which will greatly facilitate the understanding of hormone-related regulatory networks that influence rice growth and development. To our knowledge, there are limited reports that measure this level of phytohormone species in rice samples using a single analysis. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Structure-directing effects of ionic liquids in the ionothermal synthesis of metal–organic frameworks

    Directory of Open Access Journals (Sweden)

    Thomas P. Vaid

    2017-07-01

    Full Text Available Traditional synthesis of metal–organic frameworks (MOFs involves the reaction of a metal-containing precursor with an organic linker in an organic solvent at an elevated temperature, in what is termed a `solvothermal' reaction. More recently, many examples have been reported of MOF synthesis in ionic liquids (ILs, rather than an organic solvent, in `ionothermal' reactions. The high concentration of both cations and anions in an ionic liquid allows for the formation of new MOF structures in which the IL cation or anion or both are incorporated into the MOF. Most commonly, the IL cation is included in the open cavities of the MOF, countering the anionic charge of the MOF framework itself and acting as a template around which the MOF structure forms. Ionic liquids can also serve other structure-directing roles, for example, when an IL containing a single enantiomer of a chiral anion leads to a homochiral MOF, even though the IL anion is not itself incorporated into the MOF. A comprehensive review of ionothermal syntheses of MOFs, and the structure-directing effects of the ILs, is given.

  15. Design of Biochemical Oxidation Process Engineering Unit for Treatment of Organic Radioactive Liquid Waste

    International Nuclear Information System (INIS)

    Zainus Salimin; Endang Nuraeni; Mirawaty; Tarigan, Cerdas

    2010-01-01

    Organic radioactive liquid waste from nuclear industry consist of detergent waste from nuclear laundry, 30% TBP-kerosene solvent waste from purification or recovery of uranium from process failure of nuclear fuel fabrication, and solvent waste containing D 2 EHPA, TOPO, and kerosene from purification of phosphoric acid. The waste is dangerous and toxic matter having low pH, high COD and BOD, and also low radioactivity. Biochemical oxidation process is the effective method for detoxification of organic waste and decontamination of radionuclide by bio sorption. The result process are sludges and non radioactive supernatant. The existing treatment facilities radioactive waste in Serpong can not use for treatment of that’s organics waste. Dio chemical oxidation process engineering unit for continuous treatment of organic radioactive liquid waste on the capacity of 1.6 L/h has been designed and constructed the equipment of process unit consist of storage tank of 100 L capacity for nutrition solution, 2 storage tanks of 100 L capacity per each for liquid waste, reactor oxidation of 120 L, settling tank of 50 L capacity storage tank of 55 L capacity for sludge, storage tank of 50 capacity for supernatant. Solution on the reactor R-01 are added by bacteria, nutrition and aeration using two difference aerators until biochemical oxidation occurs. The sludge from reactor of R-01 are recirculated to the settling tank of R-02 and on the its reverse operation biological sludge will be settled, and supernatant will be overflow. (author)

  16. Biosorption of uranium in radioactive liquid organic waste by coconut fiber

    International Nuclear Information System (INIS)

    Marumo, Julio Takehiro; Ferreira, Eduardo Gurzoni Alvares; Vieira, Ludmila Cabreira; Ferreira, Rafael Vicente de Padua; Silva, Edson Antonio da

    2013-01-01

    Radioactive liquid organic waste needs special attention because the available treatment processes are often expensive and difficult to be managed. Biosorption is a potential technique since it allies low cost with relatively high efficiency. Biosorption has been defined as the property of certain biomolecules to bind and remove selected ions or other molecules from aqueous solutions. Biosorption using vegetable biomass from agricultural waste has become a very attractive technique because it involves the removal of heavy metal ions by low cost biosorbent. This technique could be employed in the treatment of radioactive liquid wastes. Among the biosorbent reported in the literature, coconut fiber (Cocos nucifera L.) is highlighted due to the large number of functional groups in its composition. The aim of this study was to assess the potential of coconut fiber to remove uranium from radioactive liquid organic waste. This work was divided into three stages: 1) Preparation and activation of the coconut fiber; 2) Physical characterization of the biomass, 3) Batch biosorption experiments. Two forms of coconut fiber were tested, raw and activated. The activation was performed with dilute HNO3 and NaOH solutions. The parameters evaluated for physical characterization of biomass were morphological characteristics of coconut fiber, real and apparent density and surface area. The biomass was suspended in 10 ml of solutions prepared with distillate water and radioactive liquid waste for 2 hours in the proportion of 0.2% w/v. After the contact time, the coconut fiber was removed by filtration and the supernatant, analyzed by inductively coupled plasma optical emission spectrometry (ICP-OES).The results were evaluated using Langmuir and Freundlich isotherms. The maximum capacity for the raw coconut fiber was lower than the activated one, removing only 1.14mg/g against 2.61mg/g. These results suggest that biosorption with coconut fiber in activated form can be applied in the

  17. Biosorption of uranium in radioactive liquid organic waste by coconut fiber

    Energy Technology Data Exchange (ETDEWEB)

    Marumo, Julio Takehiro; Ferreira, Eduardo Gurzoni Alvares; Vieira, Ludmila Cabreira; Ferreira, Rafael Vicente de Padua, E-mail: jtmarumo@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Silva, Edson Antonio da, E-mail: edson.silva2@unioeste.br [Universidade Estadual do Oeste do Parana (UNIOESTE), Toledo, PR (Brazil)

    2013-07-01

    Radioactive liquid organic waste needs special attention because the available treatment processes are often expensive and difficult to be managed. Biosorption is a potential technique since it allies low cost with relatively high efficiency. Biosorption has been defined as the property of certain biomolecules to bind and remove selected ions or other molecules from aqueous solutions. Biosorption using vegetable biomass from agricultural waste has become a very attractive technique because it involves the removal of heavy metal ions by low cost biosorbent. This technique could be employed in the treatment of radioactive liquid wastes. Among the biosorbent reported in the literature, coconut fiber (Cocos nucifera L.) is highlighted due to the large number of functional groups in its composition. The aim of this study was to assess the potential of coconut fiber to remove uranium from radioactive liquid organic waste. This work was divided into three stages: 1) Preparation and activation of the coconut fiber; 2) Physical characterization of the biomass, 3) Batch biosorption experiments. Two forms of coconut fiber were tested, raw and activated. The activation was performed with dilute HNO3 and NaOH solutions. The parameters evaluated for physical characterization of biomass were morphological characteristics of coconut fiber, real and apparent density and surface area. The biomass was suspended in 10 ml of solutions prepared with distillate water and radioactive liquid waste for 2 hours in the proportion of 0.2% w/v. After the contact time, the coconut fiber was removed by filtration and the supernatant, analyzed by inductively coupled plasma optical emission spectrometry (ICP-OES).The results were evaluated using Langmuir and Freundlich isotherms. The maximum capacity for the raw coconut fiber was lower than the activated one, removing only 1.14mg/g against 2.61mg/g. These results suggest that biosorption with coconut fiber in activated form can be applied in the

  18. Fast-freezing with liquid nitrogen preserves bulk dissolved organic matter concentrations, but not its composition

    DEFF Research Database (Denmark)

    Thieme, Lisa; Graeber, Daniel; Kaupenjohann, Martin

    2016-01-01

    -freezing with liquid nitrogen) on DOM concentrations measured as organic carbon (DOC) concentrations and on spectroscopic properties of DOM from different terrestrial ecosystems (forest and grassland). Fresh and differently frozen throughfall, stemflow, litter leachate and soil solution samples were analyzed for DOC......Freezing can affect concentrations and spectroscopic properties of dissolved organic matter (DOM) in water samples. Nevertheless, water samples are regularly frozen for sample preservation. In this study we tested the effect of different freezing methods (standard freezing at −18 °C and fast...... concentrations, UV-vis absorption and fluorescence excitation–emission matrices combined with parallel factor analysis (PARAFAC). Fast-freezing with liquid nitrogen prevented a significant decrease of DOC concentrations observed after freezing at −18 °C. Nonetheless, the share of PARAFAC components 1 (EXmax...

  19. Hazard Assessment of Liquid Organic Hydrogen Carriers (LOHCs) in Terrestrial Environment

    OpenAIRE

    Zhang, Ya-Qi

    2017-01-01

    Liquid Organic Hydrogen Carriers (LOHCs) are part of a novel energy system that can efficiently and relatively safely store and transport hydrogen, which is a clean, high energy density fuel. LOHCs have high hydrogen holding capacities and are superior to most current energy sources, such as fossil fuels, because they have the potential to reduce CO2 emission and have advantages in operational and handling safety; they are also adaptable to renewable energy. Therefore, massive integration and...

  20. Estimation of the ideal solubility (crystal-liquid fugacity ratio) of organic compounds.

    Science.gov (United States)

    Yalkowsky, Samuel H; Wu, Min

    2010-03-01

    Melting point, entropy of melting and heat capacity of melting are required for the calculation of the ideal solubility of a solid solute via the Clausius-Clapyron equation. This article reviews the published approximations of estimating entropy and heat capacity of melting. By comparing the available experimental results to calculated values the authors attempt to identify the best estimation of the ideal solubility and crystal-liquid fugacity ratio for organic compounds. 2009 Wiley-Liss, Inc. and the American Pharmacists Association

  1. Effect of chiral photosensitive liquid crystalline dopants on theperformance of organic solar cells

    Czech Academy of Sciences Publication Activity Database

    Iwan, A.; Boharewicz, B.; Tazbir, I.; Hamplová, Věra; Bubnov, Alexej

    2015-01-01

    Roč. 104, Feb (2015), s. 53-60 ISSN 0038-1101 R&D Projects: GA MŠk 7AMB13PL041; GA ČR GA13-14133S; GA MŠk(CZ) LD14007 Grant - others:AVČR(CZ) M100101204 Institutional support: RVO:68378271 Keywords : organic solar cell * composite with liquid crystal Subject RIV: CG - Electrochemistry Impact factor: 1.345, year: 2015

  2. Technical Assessment of Organic Liquid Carrier Hydrogen Storage Systems for Automotive Applications

    Energy Technology Data Exchange (ETDEWEB)

    Ahluwalia, R. K. [Argonne National Lab. (ANL), Argonne, IL (United States); Hua, T. Q. [Argonne National Lab. (ANL), Argonne, IL (United States); Peng, J. -K [Argonne National Lab. (ANL), Argonne, IL (United States); Kromer, M. [TIAX LLC, Lexington, MA (United States); Lasher, S. [TIAX LLC, Lexington, MA (United States); McKenney, K. [TIAX LLC, Lexington, MA (United States); Law, K. [TIAX LLC, Lexington, MA (United States); Sinha, J. [TIAX LLC, Lexington, MA (United States)

    2011-06-21

    In 2007-2009, the DOE Hydrogen Program conducted a technical assessment of organic liquid carrier based hydrogen storage systems for automotive applications, consistent with the Program’s Multiyear Research, Development, and Demonstration Plan. This joint performance (ANL) and cost analysis (TIAX) report summarizes the results of this assessment. These results should be considered only in conjunction with the assumptions used in selecting, evaluating, and costing the systems discussed here and in the Appendices.

  3. Treatment of alpha active organic liquid scintillator waste with ion exchange resins-column studies

    International Nuclear Information System (INIS)

    Venugopal Chetty, K.; Vaidya, V.N.; Venugopal, V.; Rao, P.R.V.

    2002-01-01

    The distribution ratios and percentage extraction for americium and total alpha due to plutonium and americium were determined using mixture of resins from the simulated alpha active organic liquid scintillator waste solution. Macroporous Bifunctional Phosphinic Acid (MPBPA) resin along with Amberlite IR-120 or AG 50WX8 in the ratios 1 : 1 to 1 : 6 were studied and the percentage extraction of better than 97% and distribution ratio of more than 480 were obtained. The data indicated the usefulness of these resins to remove alpha activity from these organic waste solutions. The column experiments were carried out using the active organic liquid scintillator waste with and without dilution with alcohol, and only alcoholic waste generated in the laboratory during the washing of the used liquid scintillator vials. The column containing either single MPBPA resin or with additional resin bed of Amberlite IR-120 were used for the treatment of the wastes. In the case of alcoholic waste after removal of activity it was reused for rinsing of the used vials. (author)

  4. The Destruction of Organic Compound by Photocatalysis Process for Conditioning of Liquid Radioactive Waste

    International Nuclear Information System (INIS)

    Heny Suseno

    2002-01-01

    The experiment for degradation of organic compound that was contained at liquid radioactive waste has been done. This experiment was purposed for conditioning liquid radioactive waste so it will be easy for manage and save for disposal. Thin layer of photocatalist TiO 2 that was immobilized at glass matrix is one of alternative for degradation of organic compound. The thin layer of TiO 2 was prepared by calcination process of Ti(IV) bis ethylasetatodiisopropoxide 0.5M at 400 o C. This thin layer was characterized by spectrophotometer, SEM and XRD. The result of characterization was proven that photocatalist have anatase crystal structure because it has band gap energy around 3.11 eV to 3.27 eV and has XRD pattern it with anatase structure. The capability of photocatalist for degradation of organic compound was 185.7 mg/KWh or the quantum yield value was 1.25 X 10 -4 . This capability show that thin layer photocatalist TiO 2 that immobilized at glass matrix can be used for conditioning liquid radioactive waste. (author)

  5. Biodegradation of ethyl acetate in radioactive liquid organic waste by bacterial communities

    International Nuclear Information System (INIS)

    Ferreira, Rafael V.P.; Sakata, Solange K.; Borba, Tania R.; Bellini, Maria H.; Marumo, Julio T.; Dutra, Fernando

    2009-01-01

    The research and development program in reprocessing of low burn-up spent fuel elements began in Brazil in 70's, originating the lab -scale hot cell, known as CELESTE located at IPEN-CNEN/SP. The program was ended at the beginning of 90's and part of the radioactive waste generated mainly from the analytical laboratories is stored at the Waste Management Laboratory. Among various types of radioactive waste generated, the organic liquid represents a major problem for its management, because it can not be directly solidified with cement. The objective of this work is to develop a pretreatment methodology to degrade the ethyl acetate present in organic liquid waste so that it can subsequently be immobilized in cement. This work was divided into two parts: selection and adaptation of three bacterial communities for growth in medium containing ethyl acetate and degradation experiments of ethyl acetate present in radioactive organic liquid waste. The results showed that from bacterial communities the highest biodegradation level observed was 77%. (author)

  6. Insights into Mechanistic Models for Evaporation of Organic Liquids in the Environment Obtained by Position-Specific Carbon Isotope Analysis.

    Science.gov (United States)

    Julien, Maxime; Nun, Pierrick; Robins, Richard J; Remaud, Gérald S; Parinet, Julien; Höhener, Patrick

    2015-11-03

    Position-specific isotope effects (PSIEs) have been measured by isotope ratio monitoring (13)C nuclear magnetic resonance spectrometry during the evaporation of 10 liquids of different polarities under 4 evaporation modes (passive evaporation, air-vented evaporation, low pressure evaporation, distillation). The observed effects are used to assess the validity of the Craig-Gordon isotope model for organic liquids. For seven liquids the overall isotope effect (IE) includes a vapor-liquid contribution that is strongly position-specific in polar compounds but less so in apolar compounds and a diffusive IE that is not position-specific, except in the alcohols, ethanol and propan-1-ol. The diffusive IE is diminished under forced evaporation. The position-specific isotope pattern created by liquid-vapor IEs is manifest in five liquids, which have an air-side limitation for volatilization. For the alcohols, undefined processes in the liquid phase create additional PSIEs. Three other liquids with limitations on the liquid side have a lower, highly position-specific, bulk diffusive IE. It is concluded that evaporation of organic pollutants creates unique position-specific isotope patterns that may be used to assess the progress of remediation or natural attenuation of pollution and that the Craig-Gordon isotope model is valid for the volatilization of nonpolar organic liquids with air-side limitation of the volatilization rate.

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

    Directory of Open Access Journals (Sweden)

    Takeru Ito

    2017-07-01

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

  8. Genotoxicity, mutagenicity and cytotoxicity of carotenoids extracted from ionic liquid in multiples organs of Wistar rats.

    Science.gov (United States)

    Larangeira, Paula Martins; de Rosso, Veridiana Vera; da Silva, Victor Hugo Pereira; de Moura, Carolina Foot Gomes; Ribeiro, Daniel Araki

    2016-11-01

    The ionic liquid or melted salt 1-Butyl-3-methylimidazolium is an alternative process to extract natural pigments, such as carotenoids. Lycopene represents 80-90% of total of carotenoids presents in tomatoes and it has been widely studied due its potent antioxidant action. The aim of this study was to evaluate genotoxicity, mutagenicity and cytotoxicity of carotenoids extracted from ionic liquid using experimental model in vivo. For this purpose, a total of 20 male Wistar rats were distributed into four groups (n=5), as follows: control group; received a corresponding amount of corn oil for 7days by intragastric gavage (i.g.), ionic liquid group, received 10mgkg -1 body weight for 7days by gavage; 10mg carotenoids group, received 10mgkg -1 bw dissolved in corn oil for 7days by gavage and 500mg carotenoids group, received 500mgkg -1 bw dissolved in corn oil for 7days by gavage. Rat liver treated with ionic liquid exhibited moderate histopathological changes randomly distributed in the parenchyma, such as cytoplasmic eosinophilia, apoptotic bodies, inflammatory infiltrate and focal necrosis. DNA damage was found in peripheral blood and liver cells of rats treated with ionic liquid or carotenoids at 500mg. An increase of micronucleated cells and 8-OhDG immunopositive cells were also detected in rats treated with carotenoids at 500mg. In summary, our results demonstrate that recommended dose for human daily intake of carotenoids extracted by ionic liquid did not induce genotoxicity, mutagenicity and cytotoxicity in multiple organs of rats. Copyright © 2016 Elsevier GmbH. All rights reserved.

  9. Vapour pressures and vapour-liquid equilibria of propyl acetate and isobutyl acetate with ethanol or 2-propanol at 0.15 MPa. Binary systems

    Directory of Open Access Journals (Sweden)

    Susial Pedro

    2012-01-01

    Full Text Available Vapour pressures of propyl acetate, isobutyl acetate and 2-propanol from 0.004 to 1.6 MPa absolute pressure and VLE data for the binary systems propyl acetate+ethanol, propyl acetate+2-propanol, isobutyl acetate+ethanol and isobutyl acetate+2-propanol at 0.15 MPa have been determined. The experimental VLE data were verified with the test of van Ness and the Fredenslund criterion. The propyl acetate+ethanol or +2-propanol binary systems have an azeotropic point at 0.15 MPa. The different versions of the UNIFAC and ASOG group contribution models were applied.

  10. Heterogeneous ice nucleation on phase-separated organic-sulfate particles: effect of liquid vs. glassy coatings

    Science.gov (United States)

    Schill, G. P.; Tolbert, M. A.

    2013-05-01

    Atmospheric ice nucleation on aerosol particles relevant to cirrus clouds remains one of the least understood processes in the atmosphere. Upper tropospheric aerosols as well as sub-visible cirrus residues are known to be enhanced in both sulfates and organics. The hygroscopic phase transitions of organic-sulfate particles can have an impact on both the cirrus cloud formation mechanism and resulting cloud microphysical properties. In addition to deliquescence and efflorescence, organic-sulfate particles are known to undergo another phase transition known as liquid-liquid phase separation. The ice nucleation properties of particles that have undergone liquid-liquid phase separation are unknown. Here, Raman microscopy coupled with an environmental cell was used to study the low temperature deliquescence, efflorescence, and liquid-liquid phase separation behavior of 2 : 1 mixtures of organic polyols (1,2,6-hexanetriol and 1 : 1 1,2,6-hexanetriol + 2,2,6,6-tetrakis(hydroxymethyl)cyclohexanol) and ammonium sulfate from 240-265 K. Further, the ice nucleation efficiency of these organic-sulfate systems after liquid-liquid phase separation and efflorescence was investigated from 210-235 K. Raman mapping and volume-geometry analysis indicate that these particles contain solid ammonium sulfate cores fully engulfed in organic shells. For the ice nucleation experiments, we find that if the organic coatings are liquid, water vapor diffuses through the shell and ice nucleates on the ammonium sulfate core. In this case, the coatings minimally affect the ice nucleation efficiency of ammonium sulfate. In contrast, if the coatings become semi-solid or glassy, ice instead nucleates on the organic shell. Consistent with recent findings that glasses can be efficient ice nuclei, the phase-separated particles are nearly as efficient at ice nucleation as pure crystalline ammonium sulfate.

  11. Developing technologies for conditioning the liquid organic radioactive wastes from Cernavoda NPP

    International Nuclear Information System (INIS)

    Deneanu, N.; Popescu, I. V.; Teoreanu, I.

    2004-01-01

    The Institute for Nuclear Research (INR)-Pitesti has developed technologies for conditioning liquid organic radioactive wastes (oils, miscellaneous solvent and liquid scintillation cocktail) for Cernavoda NPP. This paper describes the new and viable solidification technology to convert liquid organic radioactive wastes into a stable monolithic form, which minimizes the probability to release tritium in the environment during interim storage, transportation and final disposal. These are normally LLW containing only relatively small quantities of beta/gamma emitting radionuclides and variable amounts of tritium with activity below E+08Bq/l. The INR research staff in the radwaste area developed treatment/conditioning techniques and also designed and tested the containers for the final disposal, following the approach in the management of radwaste related to the nuclear fuel cycle. Thus, the INR focused this type of activity on treating and conditioning the wastes generated at Cernavoda Nuclear Power Plant consisting of lubricants from primary fuelling machines and turbine, the miscellaneous solvent from decontamination operation and the liquid scintillation cocktail used in radiochemical analysis. Laboratory studies on cementation of liquid organic radioactive wastes have been undertaken at INR Pitesti. One simple system, similar to a conventional cement solidification unit, can treat radioactive liquid wastes, which are the major components of low- and medium-level radioactive wastes generated by a Nuclear Power Plant. It was proved that the solidified waste could meet the Waste Acceptance Criteria of the disposal site, in this case Baita-Bihor National Repository, as follows: - The wastes are deposited in type A packages; - The maximum expected quantities of this waste stream that will be produced in the future are 50 drums per year. The maximum specific tritium activity per drum is 10 9 Bq/m 3 ; - Compressive strengths of the samples should be greater than 50 MPa

  12. Volume reduction of liquid Uranium wastes in the organic phase using rotavapor

    International Nuclear Information System (INIS)

    Endro-Kismolo; Isman MT; Djoko-Sardjono, Ign

    1996-01-01

    The determination of process conditions of volume reduction of liquid uranium wastes in mixed organic phase using rotavapor has been done. The investigation was experimentally conducted by heating the liquid uranium wastes at the activity of 2.7759 x 10 -4 μCi/ml at the pH conditions of 5.0; 5.5; 6.0 and 7.0. The liquid was heated at varied temperatures with regulated pressure of process of -300; -250; -200; -150 mBar and at the rotation rate of evaporating flask of 7; 14; 21 and 35 rpm during two times 60 minutes. The pH and the density of concentrate and distillate products rotavapor were determined and their activity was analyzed by using the counter system of Schlumberger. From the experimental data it can be concluded that the best result was obtained at the process condition where the pH of feed liquid uranium wastes = 6.0, the pressure operation = -200 mBar and the rotation of evaporating flask = 7.0 rpm. At this condition the volume reduction obtained was FRv = 30.42 %

  13. A predictive method for crude oil volatile organic compounds emission from soil: evaporation and diffusion behavior investigation of binary gas mixtures.

    Science.gov (United States)

    Wang, Haijing; Fischer, Thomas; Wieprecht, Wolfgang; Möller, Detlev

    2015-05-01

    Due to their mobility and toxicity, crude oil volatile organic compounds (VOCs) are representative components for oil pipeline contaminated sites detection. Therefore, contaminated location risk assessment, with airborne light detection and ranging (LIDAR) survey, in particular, requires ground-based determinative methods for oil VOCs, the interaction between oil VOCs and soil, and information on how they diffuse from underground into atmosphere. First, we developed a method for determination of crude oil VOC binary mixtures (take n-pentane and n-hexane as examples), taking synergistic effects of VOC mixtures on polydimethylsiloxane (PDMS) solid-phase microextraction (SPME) fibers into consideration. Using this method, we further aim to extract VOCs from small volumes, for example, from soil pores, using a custom-made sampling device for nondestructive SPME fiber intrusion, and to study VOC transport through heterogeneous porous media. Second, specific surface Brunauer-Emmett-Teller (BET) analysis was conducted and used for estimation of VOC isotherm parameters in soil. Finally, two models were fitted for VOC emission prediction, and the results were compared to the experimental emission results. It was found that free diffusion mode worked well, and an empirical correction factor seems to be needed for the other model to adapt to our condition for single and binary systems.

  14. Theoretical Insight into Organic Dyes Incorporating Triphenylamine-Based Donors and Binary π-Conjugated Bridges for Dye-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Shuxian Wei

    2014-01-01

    Full Text Available The design of light-absorbent sensitizers with sustainable and environment-friendly material is one of the key issues for the future development of dye-sensitized solar cells (DSSCs. In this work, a series of organic sensitizers incorporating alkoxy-substituted triphenylamine (tpa donors and binary π-conjugated bridges were investigated using density functional theory (DFT and time-dependent DFT (TD-DFT. Molecular geometry, electronic structure, and optical absorption spectra are analyzed in the gas phase, chloroform, and dimethylformamide (DMF solutions. Our results show that properly choosing the heteroaromatic atoms and/or adding one more alkoxy-substituted tpa group can finely adjust the molecular orbital energy. The solvent effect renders the HOMO-LUMO gaps of the tpa-based sensitizers decrease in the sequence of DMF solution < chloroform solution < gas phase. The absorption spectra are assigned to the ligand-to-ligand charge transfer (LLCT characteristics via transitions mainly from tpa, 3,4-ethylenedioxythiophene (edot, and alkyl-substituted dithienosilole (dts groups to edot, dts, and cyanoacrylic acid groups. The binary π-conjugated bridges play different roles in balancing the electron transfer and recombination for the different tpa-based sensitizers. The protonation/deprotonation effect has great effect on the HOMO-LUMO gaps and thus has great influence on the bands at the long wavelength region, but little influence on the bands at the short wavelength region.

  15. Wetting in color: colorimetric differentiation of organic liquids with high selectivity.

    Science.gov (United States)

    Burgess, Ian B; Koay, Natalie; Raymond, Kevin P; Kolle, Mathias; Lončar, Marko; Aizenberg, Joanna

    2012-02-28

    Colorimetric litmus tests such as pH paper have enjoyed wide commercial success due to their inexpensive production and exceptional ease of use. Expansion of colorimetry to new sensing paradigms is challenging because macroscopic color changes are seldom coupled to arbitrary differences in the physical/chemical properties of a system. Here we present in detail the design of a "Wetting In Color Kit" (WICK), an inexpensive and highly selective colorimetric indicator for organic liquids that exploits chemically encoded inverse-opal photonic crystals to project minute differences in liquids' wettability to macroscopically distinct, easy-to-visualize structural color patterns. We show experimentally and corroborate with theoretical modeling using percolation theory that the highly symmetric structure of our large-area, defect-free SiO(2) inverse-opal films leads to sharply defined threshold wettability for liquid infiltration, occurring at intrinsic contact angles near 20° with an estimated resolution smaller than 5°. The regular structure also produces a bright iridescent color, which disappears when infiltrated with liquid, naturally coupling the optical and fluidic responses. To deterministically design a WICK that differentiates a broad range of liquids, we introduced a nondestructive quality control procedure to regulate the pore structure and developed two new surface modification protocols, both requiring only silanization and selective oxidation. The resulting tunable, built-in horizontal and vertical chemistry gradients let us tailor the wettability threshold to specific liquids across a continuous range. With patterned oxidation as a final step, we control the shape of the liquid-specific patterns displayed, making WICK easier to read. Using these techniques, we demonstrate the applicability of WICKs in several exemplary systems that colorimetrically distinguish (i) ethanol-water mixtures varying by only 2.5% in concentration; (ii) methanol, ethanol, and

  16. Determination of species activities in organic phase. Modelling of liquid-liquid extraction system using uniquac and unifac models; Determination des activites des especes en phase organique. Application d`uniquac et unifac a la modelisation des systemes d`extraction liquide-liquide

    Energy Technology Data Exchange (ETDEWEB)

    Rat, B. [CEA Saclay, 91 - Gif-sur-Yvette (France). Dept. de Recherche en Retraitement et en Vitrification]|[Paris-6 Univ., 75 (France)

    1998-12-31

    The aim of nuclear fuel reprocessing is to separate reusable elements, uranium and plutonium from the other elements, fission products and minor actinides. PUREX process uses liquid-liquid extraction as separation method. Numerical codes for modelling the extraction operations of PUREX process use a semi-empirical model to represent the partition of species. To improve the precision and precision and predictive nature of the models, we looked for a theoretical tool which permits to quantify medium effects, especially in the organic phase, for which few models are available. The Sergeivskii-Dannus model permits to quantify deviations from ideality in organic phase equilibrated with aqueous phase, but with parameters depending on extractant/diluent ratio. We decided to investigate UNIQUAC and UNIFAC models which permit to estimate activity coefficients in non-electrolytic phases taking account of the mutual interactions of molecules and their morphology. UNIFAC is based on UNIQUAC but molecules are considered as structural groups assemblies. Before applying these model to extraction systems, we investigate their abilities to describe simple systems, binary and ternary systems. UNIQUAC has been applied to TBP/diluent mixtures and permits to estimate activity coefficients for diluents whose interactions with TPB are very different in nature and strength. Group contribution (UNIFAC) applied to TBP/alkane mixtures permits to represent the effect of lengthening alkane chain but not the effect of branching. UNIQUAC fails to describe the TBP/diluent/water/non-extractable-salt systems in case of strong TBP diluent interactions. In order to obtain a correct description of these systems, we used the Chem-UNIFAC model, where the INIFAC equation is supplemented with chemical equilibria allowing explicitly for complexes formation and where group contribution is used to describes complexes. We have with Chem-UNIFAC a model available which can take the effect of the diluent into

  17. Pyrolysis characteristics and pyrolysis products separation for recycling organic materials from waste liquid crystal display panels

    International Nuclear Information System (INIS)

    Wang, Ruixue; Xu, Zhenming

    2016-01-01

    Highlights: • Pyrolysis characteristics are conducted for a better understanding of LCDs pyrolysis. • Optimum design is developed which is significant to guide the further industrial process. • Acetic acid and TPP are recycled and separated. - Abstract: Waste liquid crystal display (LCD) panels mainly contain inorganic materials (glass substrate with indium-tin oxide film), and organic materials (polarizing film and liquid crystal). The organic materials should be removed beforehand since the organic matters would hinder the indium recycling process. In the present study, pyrolysis process is used to remove the organic materials and recycle acetic as well as and triphenyl phosphate (TPP) from waste LCD panels in an environmental friendly way. Several highlights of this study are summarized as follows: (i) Pyrolysis characteristics and pyrolysis kinetics analysis are conducted which is significant to get a better understanding of the pyrolysis process. (ii) Optimum design is developed by applying Box–Behnken Design (BBD) under response surface methodology (RSM) for engineering application which is significant to guide the further industrial recycling process. The oil yield could reach 70.53 wt% and the residue rate could reach 14.05 wt% when the pyrolysis temperature is 570 °C, nitrogen flow rate is 6 L min −1 and the particle size is 0.5 mm. (iii) Furthermore, acetic acid and TPP are recycled, and then separated by rotary evaporation, which could reduce the consumption of fossil energy for producing acetic acid, and be reused in electronics manufacturing industry.

  18. Retention-oxidation-adsorption process for emergent treatment of organic liquid spills.

    Science.gov (United States)

    Liu, Xianjun; Li, Yu; Zhang, Xingwang; Lei, Lecheng

    2011-11-15

    The feasibility and effectiveness of retention-oxidation-adsorption process (ROA) for the elimination of organic contaminants induced by chemical accidents were investigated in this study. Organobentonites (DTMA-, TTA-, CTMA- and OTMA-bentonite), potassium ferrate (Fe(VI)), ozone and granular activated carbon (GAC) were used as rapid and efficient materials in the treatment and recovery of organic liquid spills. Results indicated that the retention capacities of organobentonites (especially CTMA-bentonite) were much higher than that of natural bentonite towards the chosen organic compounds. Additionally, pH, oxidant dosage, initial concentration of contaminant and chemical structure had significant influences on the effectiveness of the oxidation process. In a pilot-scale experiment, the ferrate/GAC (F/G) and ozone/GAC (O/G) processes made a comparatively good performance in the treatment of wastewater containing aniline or nitrobenzene, with the removal efficiencies of the contaminants greater than 80%. Overall, the ROA process showed a high efficiency and steady operation in the removal of hazardous organic liquids and subsequent clean up of the contaminated site. Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.

  19. Pyrolysis characteristics and pyrolysis products separation for recycling organic materials from waste liquid crystal display panels

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ruixue; Xu, Zhenming, E-mail: zmxu@sjtu.edu.cn

    2016-01-25

    Highlights: • Pyrolysis characteristics are conducted for a better understanding of LCDs pyrolysis. • Optimum design is developed which is significant to guide the further industrial process. • Acetic acid and TPP are recycled and separated. - Abstract: Waste liquid crystal display (LCD) panels mainly contain inorganic materials (glass substrate with indium-tin oxide film), and organic materials (polarizing film and liquid crystal). The organic materials should be removed beforehand since the organic matters would hinder the indium recycling process. In the present study, pyrolysis process is used to remove the organic materials and recycle acetic as well as and triphenyl phosphate (TPP) from waste LCD panels in an environmental friendly way. Several highlights of this study are summarized as follows: (i) Pyrolysis characteristics and pyrolysis kinetics analysis are conducted which is significant to get a better understanding of the pyrolysis process. (ii) Optimum design is developed by applying Box–Behnken Design (BBD) under response surface methodology (RSM) for engineering application which is significant to guide the further industrial recycling process. The oil yield could reach 70.53 wt% and the residue rate could reach 14.05 wt% when the pyrolysis temperature is 570 °C, nitrogen flow rate is 6 L min{sup −1} and the particle size is 0.5 mm. (iii) Furthermore, acetic acid and TPP are recycled, and then separated by rotary evaporation, which could reduce the consumption of fossil energy for producing acetic acid, and be reused in electronics manufacturing industry.

  20. Ionic liquids as an electrolyte for the electro synthesis of organic compounds.

    Science.gov (United States)

    Kathiresan, Murugavel; Velayutham, David

    2015-12-25

    The use of ionic liquids (ILs) as a solvent and an electrolyte for electro organic synthesis has been reviewed. To date several ILs exist, however the ILs based on tetraalkylammonium, pyrrolidinium, piperidinium and imidazolium cations with BF4(-), PF6(-), and TFSI anions have been widely used and explored the most. Electro organic synthesis in ionic liquid media leading to the synthesis of a wide range of organic compounds has been discussed. Anodic oxidation or cathodic reduction will generate radical cation or anion intermediates, respectively. These radicals can undergo self coupling or coupling with other molecules yielding organic compounds of interest. The cation of the IL is known to stabilize the radical anion extensively. This stabilization effect has a specific impact on the electrochemical CO2 reduction and coupling to various organics. The relative stability of the intermediates in IL leads to the formation of specific products in higher yields. Electrochemical reduction of imidazolium or thiazolium based ILs generates N-heterocyclic carbenes that have been shown to catalyze a wide range of base or nucleophile catalyzed organic reactions in IL media, an aspect that falls into the category of organocatalysis. Electrochemical fluorination or selective electrochemical fluorination is another fascinating area that delivers selectively fluorinated organic products in Et3N·nHF or Et4NF·nHF adducts (IL) via anodic oxidation. Oxidative polymerization in ILs has been explored the most; although morphological changes were observed compared to the conventional methods, polymers were obtained in good yields and in some cases ILs were used as dopants to improve the desired properties.

  1. Excess molar volumes and deviation in viscosities of binary liquid mixtures of acrylic esters with hexane-1-ol at 303.15 and 313.15 K

    Directory of Open Access Journals (Sweden)

    Sujata S. Patil

    2014-12-01

    Full Text Available Densities and viscosities for the four binary liquid mixtures of methyl acrylate, ethyl acrylate, butyl acrylate and methyl methacrylate with hexane-1-ol at temperatures 303.15 and 313.15 K and at atmospheric pressure were measured over the entire composition range. These values were used to calculate excess molar volumes and deviation in viscosities which were fitted to Redlich–Kister polynomial equation. Recently proposed Jouyban Acree model was also used to correlate the experimental values of density and viscosity. The mixture viscosities were correlated by several semi-empirical approaches like Hind, Choudhary–Katti, Grunberg–Nissan, Tamura and Kurata, McAllister three and four body model equations. A graphical representation of excess molar volumes and deviation in isentropic compressibility shows positive nature whereas deviation in viscosity shows negative nature at both temperatures for all four binary liquid mixtures. Positive values of excess molar volumes show that volume expansion is taking place causing rupture of H-bonds in self associated alcohols. The results were discussed in terms of molecular interactions prevailing in the mixtures.

  2. Development of a new neutron monitor using a boron-loaded organic liquid scintillation detector

    CERN Document Server

    Rasolonjatovo, A H D; Kim, E; Nakamura, T; Nunomiya, T; Endo, A; Yamaguchi, Y; Yoshizawa, M

    2002-01-01

    A new type of neutron dose monitor was developed by using a 12.7 cm diameterx12.7 cm long boron-loaded organic liquid scintillation detector BC523A. This detector aims to have a response in the wide energy range of thermal energy to 100 MeV by using the H and C reactions to the fast neutrons of organic liquid and the sup 1 sup 0 B(n, alpha) reaction to thermalized neutrons in the liquid. The response functions of this detector were determined by the Monte Carlo simulation in the energy region from thermal energy to 100 MeV. Using these response functions, the spectrum-weighted dose function, G-function, to get the neutron dose from the light output spectrum of the detector was also determined by the unfolding technique. The calculated G-function was applied to determine the neutron dose in real neutron fields having energies ranging from thermal energy to several tens of MeV, where the light output spectra were measured with the BC523A detector. The thus-obtained ambient doses and effective doses show rather ...

  3. 3D Spin-Liquid State in an Organic Hyperkagome Lattice of Mott Dimers

    Science.gov (United States)

    Mizuno, Asato; Shuku, Yoshiaki; Matsushita, Michio M.; Tsuchiizu, Masahisa; Hara, Yuuki; Wada, Nobuo; Shimizu, Yasuhiro; Awaga, Kunio

    2017-08-01

    We report the first 3D spin liquid state of isotropic organic spins. Structural analysis, and magnetic and heat-capacity measurements were carried out for a chiral organic radical salt, (TBA) 1.5[(-)-NDI -Δ ] (TBA denotes tetrabutylammonium and NDI denotes naphthalene diimide), in which (-)-NDI -Δ forms a K4 structure due to its triangular molecular structure and an intermolecular π -π overlap between the NDI moieties. This lattice was identical to the hyperkagome lattice of S =1 /2 Mott dimers, and should exhibit 3D spin frustration. In fact, even though the high-temperature magnetic susceptibility followed the Curie-Weiss law with a negative Weiss constant of θ =-15 K , the low-temperature magnetic measurements revealed no long-range magnetic ordering down to 70 mK, and suggested the presence of a spin liquid state with a large residual paramagnetism χ0 of 8.5 ×10-6 emu g-1 at the absolute zero temperature. This was supported by the N 14 NMR measurements down to 0.38 K. Further, the low-temperature heat capacities cp down to 68 mK clearly indicated the presence of cp for the spin liquid state, which can be fitted to the power law of T0.62 in the wide temperature range 0.07-4.5 K.

  4. Tilt Angle and the Temperature Shifts Calculated as a Function of Concentration for the AC* Phase Transition in a Binary Mixture of Liquid Crystals

    Science.gov (United States)

    Yurtseven, H.; Kurt, M.

    We study here the tilt angle and the temperature shifts as a function of concentration for the AC* phase transition in a binary mixture, using our mean field model with the biquadratic P2θ2 coupling — and also with the bilinear Pθ and P2θ2 couplings. By expanding the free energy in terms of the tilt angle and polarization, the tilt angle and the temperature shift are evaluated by using the coefficients given in the free energy expansion. By employing a concentration-dependent coefficient, the tilt angle and the temperature shift are calculated as a function of concentration of 10.O.4 for the SmAC* transition in a binary mixture of C7 and 10.O.4. Our calculated values of the tilt angle and the temperature shifts decrease as the concentration of 10.O.4 increases, as confirmed experimentally for the AC* transition in this binary mixture. This indicates that our mean field models studied here are satisfactory to explain the observed behavior of the AC* transition of the binary mixture of C7 and 10.O.4.

  5. Isobaric low-pressure vapor-liquid equilibrium data of the system monochloroacetic acid+dichloroacetic acid+diethylene glycol dipentyl ether and the constituent binary systems

    NARCIS (Netherlands)

    Jongmans, Mark; Londono, A.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    In this study, binary and ternary VLE data have been determined at 5, 7.5, and 10 kPa for the system monochloracetic acid (MCA) + dichloroacetic acid (DCA) + diethylene glycol dipentyl ether (DGDP). The extractant DGDP enhances the relative volatility of the MCA/DCA system from 1.2 without

  6. Acoustic, volumetric and osmotic properties of binary mixtures containing the ionic liquid 1-butyl-3-methylimidazolium dicyanamide mixed with primary and secondary alcohols

    International Nuclear Information System (INIS)

    Calvar, Noelia; González, Emilio J.; Domínguez, Ángeles; Macedo, Eugénia A.

    2012-01-01

    Highlights: ► Physical and osmotic properties of binary mixtures {alcohol + [BMim][dca]} were measured. ► From experimental data, apparent molar properties and osmotic coefficients were calculated. ► The apparent properties were fitted using a Redlich–Meyer type equation. ► The osmotic coefficients were correlated using the Extended Pitzer and the MNRTL models. - Abstract: In this paper, densities and speeds of sound for five binary systems {alcohol + 1-butyl-3-methylimidazolium dicyanamide} were measured from T = (293.15 to 323.15) K and atmospheric pressure. From these experimental data, apparent molar volume and apparent molar isentropic compression have been calculated and fitted to a Redlich–Meyer type equation. This fit was also used to calculate the apparent molar volume and apparent molar isentropic compression at infinite dilution for the studied binary mixtures. Moreover, the osmotic and activity coefficients and vapor pressures of these binary mixtures were also determined at T = 323.15 K using the vapor pressure osmometry technique. The experimental osmotic coefficients were correlated using the Extended Pitzer model of Archer. The mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated from the parameters obtained in the correlation.

  7. Toxicity of two imidazolium ionic liquids, [bmim][BF4] and [omim][BF4], to standard aquatic test organisms: Role of acetone in the induced toxicity.

    Science.gov (United States)

    Tsarpali, Vasiliki; Dailianis, Stefanos

    2015-07-01

    The main goal of this study was to investigate the toxicity of the imidazolium-based ionic liquids (ILs), [bmim][BF4] (1-butyl-3-methylimidazolium tetrafluoroborate) and [omim][BF4] (1-octyl-3-methylimidazolium tetrafluoroborate), in battery of standard aquatic toxicity test organisms. Specifically, exposure of the algae Scenedesmus rubescens, crustaceans Thamnocephalus platyurus and Artemia franciscana, rotifers Brachionus calyciflorus and Brachionus plicatilis and bivalve Mytilus galloprovincialis to different concentrations of [bmim][BF4], [omim][BF4] and/or a binary mixture of [bmim][BF4]-[omim][BF4] (1:1) with or without acetone (carrier solvent), revealed that solvent can differentially mediate ILs' toxic profile. Acetone's ability to differentially affect ILs' cation's alkyl chain length, as well as the hydrolysis of [BF4(-)] anions was evident. Given that the toxic potency of the tested ILs seemed to be equal or even higher (in some cases) than those of conventional organic solvents, the present study revealed that the characterization of imidazolium-based ILs as "green solvents" should not be generalized, at least in case of their natural occurrence in mixtures with organic solvents, such as acetone. Copyright © 2015 Elsevier Inc. All rights reserved.

  8. Liquid organic scintillator in a polymerizable emulsion, its application to radioactive counting and process for its destruction

    International Nuclear Information System (INIS)

    O'Brien, R.E.; Krieger, J.K.

    1981-01-01

    Scintillation organic liquid mixture for performing very efficient counts on compound solutions labelled with a radioactive indicator containing up to 10% water by volume and which is easily polymerizable into a solid substance, in order to facilitate its elimination. The mixture includes a polymerizable organic solvent, a solubilizing agent, an intermediate solvent and an organic scintillator [fr

  9. Method to prepare essentially organic waste liquids containing radioactive or toxic materials

    International Nuclear Information System (INIS)

    Baehr, W.; Drobnik, S.H.; Hild, W.; Kroebel, R.; Meyer, A.; Naumann, G.

    1976-01-01

    Waste solutions occuring in nuclear technology containing radioactive or toxic materials can be solidified by mixing with a polymerisable mixture with subsequent polymerization. An improvement of this method, especially for liquids in which the radioactive components are present as organic compounds is achieved by adding a mixture of at least one monomeric vinyl compound, at least one polyvinyl compound and appropriate catalysts and by polymerizing at temperatures between 15 and 150 0 C. Should the waste liquid contain mineral acid, this is first neutralized by the addition of CaO or MgO. In processing oils or soaps, the addition of swelling agent for polystyrol resins is advantageous. 16 examples illustrate the invention. (UWI) [de

  10. The influence of interfacial properties on the two-phase liquid flow of organic contaminants in groundwater

    International Nuclear Information System (INIS)

    Demond, A.H.; Desai, F.N.; Hayes, K.F.

    1992-01-01

    DOE's waste sites are contaminated with a variety of organic liquids. Because of their low solubility in water, organic liquids such as these will persist as separate liquid phases and be transported as such in the subsurface. Thus, an improved understanding of the factors influencing the movement of a separate organic liquid phase in the subsurface is important to DOE's efforts to control groundwater contamination. Wettability is sometimes cited as the most important factor influencing two-phase flow in porous media. The wetting phase migrates preferentially through the smaller pores, whereas the nonwetting phase is concentrated in the larger pores. Typically, aquifers are thought of as strongly water-wet, implying that the organic liquid preferentially occupies the larger pores. But in fact, that state depends on the properties of the three interfaces of the system: between the organic liquid and water, water and the solid, and the organic liquid and the solid. Characteristics of the system which affect the interfacial properties also impact the wettability, such as the nature of the aquifer solids' surfaces, the composition of the goundwater and the properties of the organic contaminant. The alteration of wettability at DOE waste sites may be dominated by the presence of co-contaminants such as organic acids and bases which behave as surface-active agents or surfactants. Because of their physicochemical nature, surfactants will sorb preferentially at the interfaces of the system, thereby impacting the wettability and the distribution of the liquids in the porous medium. The over-all objective of this research was to determine how changes in interfacial properties affect two-phase flow. Specifically, the objective was to examine the effect of surfactant sorption on capillary pressure relationships by correlating measurements of sorption, zeta potential, interfacial tension and contact angle, with changes in the capillary pressure-saturation relationships

  11. New metal-organic nanomaterials synthesized by laser irradiation of organic liquids

    International Nuclear Information System (INIS)

    Kuzmin, Stanislav L.; Wesolowski, Michal J.; Duley, Walter W.

    2014-01-01

    A new type of metal-organic composition consisting of clusters of nanoparticles has been synthesised by laser irradiation of metallocene/benzene solutions. The metallocene molecules in this reaction become the source of the metal. Exposure to high-energy femtosecond laser pulses dehydrogenate benzene molecules and initiate the high-temperature high-pressure conditions that results in the synthesis of new materials. Irradiation experiments have been carried out on ferrocene/benzene and on other solutions. With ferrocene the synthesis of a new compound has been confirmed by X-ray powder diffraction as the peaks detected do not correspond to any known substance in the Crystallography Open Database. Theoretical simulation of the periodic structure of this new carbide predicts that it has hexagonal symmetry and a unit cell with a = 3.2A and c =2.8A. The exact structure is still uncertain but may be determined from scanning tunneling microscope (STM) studies

  12. Organics Produced by Irradiation of Frozen and Liquid HCN Solutions: Implications for Chemical Evolution Studies

    Science.gov (United States)

    Colín-García, M.; Negrón-Mendoza, A.; Ramos-Bernal, S.

    2009-04-01

    Hydrogen cyanide (HCN), an important precursor of organic compounds, is widely present in extraterrestrial environments. HCN is also readily synthesized in prebiotic simulation experiments. To gain insight into the radiation chemistry of one of the most important and highly versatile constituents of cometary ices, we examined the behavior of over-irradiated frozen and liquid HCN solutions under ionizing radiation. The samples were exposed to gamma radiation at a dose range from 0 up to 419 kGy. Ultraviolet spectroscopy and gas chromatography were used to follow the process. The analyses confirmed that gamma-ray irradiation of liquid HCN solutions generates several organic products. Many of them are essential to life; we verified the presence of carboxylic acids (some of them members of the Krebs cycle) as well as free amino acids and urea. These are the first studies to reveal the presence of these compounds in experiments performed at low temperatures and bulk irradiation. Organic material was produced even at low temperatures and low radiation doses. This work strongly supports the presumption that, as a parent molecule, HCN played a central essential role in the process of chemical evolution on early Earth, comets, and other extraterrestrial environments.

  13. Homochiral metal-organic framework used as a stationary phase for high-performance liquid chromatography.

    Science.gov (United States)

    Kong, Jiao; Zhang, Mei; Duan, Ai-Hong; Zhang, Jun-Hui; Yang, Rui; Yuan, Li-Ming

    2015-02-01

    Metal-organic frameworks are promising porous materials. Chiral metal-organic frameworks have attracted considerable attention in controlling enantioselectivity. In this study, a homochiral metal-organic framework [Co(2) (D-cam)(2) (TMDPy)] (D-cam = D-camphorates, TMDPy = 4,4'-trimethylenedipyridine) with a non-interpenetrating primitive cubic net has been used as a chiral stationary phase in high-performance liquid chromatography. It has allowed the successful separation of six positional isomers and six chiral compounds. The good selectivity and baseline separation, or at least 60% valley separation, confirmed its excellent molecular recognition characteristics. The relative standard deviations for the retention time of run-to-run and column-to-column were less than 1.8 and 3.1%, respectively. These results demonstrate that [Co(2) (D-cam)(2) (TMDPy)] may represent a promising chiral stationary phase for use in high-performance liquid chromatography. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Liquid eutectic GaIn as an alternative electrode for PTB7:PCBM organic solar cells

    Science.gov (United States)

    Thanh Hau Pham, Viet; Kieu Trinh, Thanh; Tam Nguyen Truong, Nguyen; Park, Chinho

    2017-04-01

    Conventional vacuum deposition process of aluminum (Al) is costly, time-consuming and difficult to apply to the large-scale production of organic photovoltaic devices (OPV). This paper reports a vacuum-free fabrication process of poly[[4,8-bis(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b‧]dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)carbonyl]thienophenediyl]:[6,6]-phenyl C71 butyric acid methyl ester (PTB7:PCBM) bulk heterojunction organic solar cell with liquid eutectic gallium-indium (EGaIn) electrode as an alternative to the common Al electrode. The insertion of a thin poly(ethylene oxide) (PEO) layer after depositing organic photoactive layer could help prevent the diffusion of liquid EGaIn into the active layer and allow the deposition of the EGaIn electrode. The PEO interfacial layer was formed by spin-coating from a mixed solvent of alcohol and water. Among different alcohol+water (methanol, ethanol, ethylene glycol, n-propanol, isopropanol, and isobutanol) mixed solvent tested, the n-propanol+water mixed solvent showed the greatest enhancement to the performance of OPVs. The improved device performance was attributed to the reactivity of mixed solvent n-propanol+water toward the surface of PTB7:PCBM active layer, which could help optimize surface morphology.

  15. Experimental and modeling investigations of solubility and saturated liquid densities and viscosities for binary systems (methane +, ethane +, and carbon dioxide + 2-propanol)

    International Nuclear Information System (INIS)

    Nourozieh, Hossein; Kariznovi, Mohammad; Abedi, Jalal

    2013-01-01

    Highlights: • Solubilities of CH 4 , C 2 H 6 , and CO 2 in 2-propanol and saturated density and viscosity. • Solubility of C 2 H 6 in 2-propanol is higher than CH 4 and CO 2 . • Dissolution of CO 2 increases liquid density and reduces liquid viscosity. • Liquid density and viscosity reduces with dissolution of CH 4 and C 2 H 6 . • Solubilities and saturated liquid densities were predicted with SRK and PR EOS. -- Abstract: Solubilities of methane, ethane, and carbon dioxide in 2-propanol have been measured at the temperatures (303 and 323) K and at the pressures up to 6 MPa using an in-house designed PVT apparatus. The saturated liquid properties, density and viscosity, were also measured in each experiment. Prior to the phase equilibrium measurements, the density and viscosity of pure 2-propanol were measured at the temperatures (303 and 323) K over the pressure range (0.1 to 10) MPa. The dissolution of carbon dioxide in 2-propanol caused a decline in the viscosity of saturated liquid phase while an increase in the density of gas-expanded liquid was observed. The viscosity-pressure trends for methane- and ethane-saturated liquid viscosities were similar to carbon dioxide, but the saturated liquid densities decreased with the dissolution of methane and ethane in 2-propanol. Solubility increased with pressure and decreased with temperature for all compressed gases (methane, ethane and carbon dioxide). The experimental data were well correlated using Soave–Redlich–Kwong and Peng–Robinson equations of state. The solubilities and saturated liquid densities were well represented with both equations of state, and there is no superior equation of state for the modeling of the phase compositions and saturated liquid densities

  16. Prediction of heat capacities and heats of vaporization of organic liquids by group contribution methods

    DEFF Research Database (Denmark)

    Ceriani, Roberta; Gani, Rafiqul; Meirelles, A.J.A.

    2009-01-01

    In the present work a group contribution method is proposed for the estimation of the heat capacity of organic liquids as a function of temperature for fatty compounds found in edible oil and biofuels industries. The data bank used for regression of the group contribution parameters (1395 values...... for 86 types of substances) included fatty compounds, such as fatty acids, esters, alcohols and triacylglycerols, and hydrocarbons. The performance of this method is compared with other published group contribution methods [Z. Kolska, J. Kukal, M. Zabransky, V. Ruzicka Ind. Eng. Chem. Res. 47 (2008) 2075...

  17. Sharply directed emission in microcavity organic light-emitting diodes with a cholesteric liquid crystal film

    Science.gov (United States)

    Jeong, Soon Moon; Takanishi, Yoichi; Ishikawa, Ken; Nishimura, Suzushi; Suzaki, Goroh; Takezoe, Hideo

    2007-05-01

    A flexible microcavity organic light-emitting diode (OLED) was fabricated and the emitting characteristics were examined. A pair of right- and left-handed cholesteric liquid crystal (CLC) films were attached to the microcavity OLED between aluminum (Al) and silver (Ag). Sharply directed spontaneous emission was observed from microcavity OLEDs, in which a typical luminescent material, 8-hydroxyquinoline aluminum (Alq 3), with a broad emission spectrum was used for emitting layer. The introduction of the CLC film improved both the emission bandwidth and directionality, preserving the turn-on voltage and maximum brightness.

  18. Evaluation of industrially applied heat-transfer fluids as liquid organic hydrogen carrier systems.

    Science.gov (United States)

    Brückner, Nicole; Obesser, Katharina; Bösmann, Andreas; Teichmann, Daniel; Arlt, Wolfgang; Dungs, Jennifer; Wasserscheid, Peter

    2014-01-01

    Liquid organic hydrogen carrier (LOHC) systems offer a very attractive method for the decentralized storage of renewable excess energy. In this contribution, industrially well-established heat-transfer oils (typically sold under trade names, e.g., Marlotherm) are proposed as a new class of LOHC systems. It is demonstrated that the liquid mixture of isomeric dibenzyltoluenes (m.p. -39 to -34 °C, b.p. 390 °C) can be readily hydrogenated to the corresponding mixture of perhydrogenated analogues by binding 6.2 wt% of H2. The liquid H2 -rich form can be stored and transported similarly to diesel fuel. It readily undergoes catalytic dehydrogenation at temperatures above 260 °C, which proves its applicability as a reversible H2 carrier. The presented LOHC systems are further characterized by their excellent technical availability at comparably low prices, full registration of the H2 -lean forms, and excellent thermal stabilities. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Liquid electrolyte positioning along the device channel influences the operation of Organic Electro-Chemical Transistors

    KAUST Repository

    D'angelo, Pasquale

    2014-11-01

    In this work, we show the influence of the liquid electrolyte adsorption by porous films made of poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), PEDOT:PSS, on the operation of an Organic Electro-Chemical Transistor with an active channel based on these polymeric films. In particular, the effect of film hydration on device performance is evaluated by studying its electrical response as a function of the spatial position between the electrolyte and the channel electrodes. This is done by depositing a PEDOT:PSS film on a super-hydrophobic surface aimed at controlling the electrolyte confinement next to the electrodes. The device response shows that the confinement of ionic liquids near to the drain electrode results in a worsening of the current modulation. This result has been interpreted in the light of studies dealing with the transport of ions in semiconducting polymers, indicating that the electrolyte adsorption by the polymeric film implies the formation of liquid pathways inside its bulk. These pathways, in particular, affect the device response because they are able to assist the drift of ionic species in the electrolyte towards the drain electrode. The effect of electrolyte adsorption on the device operation is confirmed by means of moving-front measurements, and is related to the reproducibility of the device operation curves by measuring repeatedly its electrical response.

  20. Chlorination of some eliphatic organic compounds in liquid and gas phase

    International Nuclear Information System (INIS)

    Hassan, A.A.

    1990-01-01

    The photochlorination of different organic compounds and the relative slectivities of different positions have been investigated in both gaseous and liquid phases at different temperatures. The results have shown that the relative selectivity generally decreased with increasing temperature and in the gas phase has a higher value. Polar solvents increase the selectivity relative to the chlorination of pure liquid phases. The differences in activation energy between two positions were much higher in the gas phases chlorination, relative to that in the liquid phase. It was also found that the functional groups have great influence on the rate of chlorine free radical attack on different positions, for example the electron withdrawing groups decreasing the selectivity on the first position, but the electron donating groups increase the selectivity on the first position, but the electron donating groups increase the selectivity on the first position. Furthermore it was found that the polar solvents, which stabilize the resonance between oxygen and carbon atoms, increases the selectivity on that position. 23 tabs.; 16 figs.; 50 refs

  1. Observations and implications of liquid-liquid phase separation at high relative humidities in secondary organic material produced by α-pinene ozonolysis without inorganic salts

    Science.gov (United States)

    Renbaum-Wolff, Lindsay; Song, Mijung; Marcolli, Claudia; Zhang, Yue; Liu, Pengfei F.; Grayson, James W.; Geiger, Franz M.; Martin, Scot T.; Bertram, Allan K.

    2016-07-01

    Particles consisting of secondary organic material (SOM) are abundant in the atmosphere. To predict the role of these particles in climate, visibility and atmospheric chemistry, information on particle phase state (i.e., single liquid, two liquids and solid) is needed. This paper focuses on the phase state of SOM particles free of inorganic salts produced by the ozonolysis of α-pinene. Phase transitions were investigated in the laboratory using optical microscopy and theoretically using a thermodynamic model at 290 K and for relative humidities ranging from liquid phases were observed above 95 % RH. For increasing RH, the mechanism of liquid-liquid phase separation (LLPS) was spinodal decomposition. The RH range over which two liquid phases were observed did not depend on the direction of RH change. In the modeling studies, the SOM took up very little water and was a single organic-rich phase at low RH values. At high RH, the SOM underwent LLPS to form an organic-rich phase and a water-rich phase, consistent with the laboratory studies. The presence of LLPS at high RH values can have consequences for the cloud condensation nuclei (CCN) activity of SOM particles. In the simulated Köhler curves for SOM particles, two local maxima were observed. Depending on the composition of the SOM, the first or second maximum can determine the critical supersaturation for activation. Recently researchers have observed inconsistencies between measured CCN properties of SOM particles and hygroscopic growth measured below water saturation (i.e., hygroscopic parameters measured below water saturation were inconsistent with hygroscopic parameters measured above water saturation). The work presented here illustrates that such inconsistencies are expected for systems with LLPS when the water uptake at subsaturated conditions represents the hygroscopicity of an organic-rich phase while the barrier for CCN activation can be determined by the second maximum in the Köhler curve when the

  2. Development of New Supramolecular Lyotropic Liquid Crystals and Their Application as Alignment Media for Organic Compounds.

    Science.gov (United States)

    Leyendecker, Martin; Meyer, Nils-Christopher; Thiele, Christina M

    2017-09-11

    Most alignment media for the residual dipolar coupling (RDC) based molecular structure determination of small organic compounds consist of rod-like polymers dissolved in organic solvents or of swollen cross-linked polymer gels. Thus far, the synthesis of polymer-based alignment media has been a challenging process, which is often followed by a time-consuming sample preparation. We herein propose the use of non-polymeric alignment media based on benzenetricarboxamides (BTAs), which self-assemble into rod-like supramolecules. Our newly found supramolecular lyotropic liquid crystals (LLCs) are studied in terms of their LLC properties and their suitability as alignment media in NMR spectroscopy. Scalable enantiodifferentiating properties are introduced through a sergeant-and-soldier principle by blending achiral with chiral substituted BTAs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  4. Plasma Interaction with Organic Molecules in Liquid as Fundamental Processes in Plasma Medicine.

    Science.gov (United States)

    Takenaka, Kosuke; Miyazaki, Atsushi; Abe, Hiroya; Uchida, Giichiro; Setsuhara, Yuichi

    2015-03-01

    Investigation of plasma-organic materials interaction in aqueous solution with atmospheric pressure plasmas have been carried out. Degradation of methylene blue (MB) in aqueous solution via atmospheric pressure He plasma exposure through gas/liquid interface have been investigated. The optical emission spectrum shows considerable emissions of He lines and the emission of O, OH and N radicals attributed to dissociation of water (H2O) and air has been confirmed. Structure variation of MB in solution treated with the atmospheric-pressure He plasma has been measured by Fourier transform infrared spectroscopy (FT-IR). The results obtained from FT-IR analysis show degradation of MB in solution treated with the atmospheric-pressure He plasma. The pH effect of MB degradation was investigated using controlled pH solutions by an ultraviolet-visible (UV-Vis) spectroscopy and FT-IR. The results show no effect of MB degradation on pH. The results exhibit that the atmospheric pressure plasmas exposure has made it possible to degrade organic materials in solution due to irradiated radicals from plasma through plasma/liquid interface.

  5. Quenching measurements and modeling of a boron-loaded organic liquid scintillator

    Energy Technology Data Exchange (ETDEWEB)

    Westerdale, S.; Xu, J.; Shields, E.; Froborg, F.; Calaprice, F.; Alexander, T.; Aprahamian, A.; Back, H. O.; Casarella, C.; Fang, X.; Gupta, Y. K.; Lamere, E.; Liu, Q.; Lyons, S.; Smith, M.; Tan, W.

    2017-08-01

    Organic liquid scintillators are used in a wide variety of applications in experimental nuclear and particle physics. Boron-loaded scintillators are particularly useful for detecting neutron captures, due to the high thermal neutron capture cross section of $^{10}$B. These scintillators are commonly used in neutron detectors, including the DarkSide-50 neutron veto, where the neutron may produce a signal when it scatters off protons in the scintillator or when it captures on $^{10}$B. Reconstructing the energy of these recoils is complicated by scintillation quenching. Understanding how nuclear recoils are quenched in these scintillators is an important and difficult problem. In this article, we present a set of measurements of neutron-induced proton recoils in a boron-loaded organic liquid scintillator at recoil energies ranging from 57--467 keV, and we compare these measurements to predictions from different quenching models. We find that a modified Birks' model whose denominator is quadratic in $dE/dx$ best describes the measurements, with $\\chi^2$/NDF$=1.6$. This result will help model nuclear recoil scintillation in similar detectors and can be used to improve their neutron tagging efficiency.

  6. Marangoni Convection in Evaporating Organic Liquid Droplets on a Nonwetting Substrate.

    Science.gov (United States)

    Chandramohan, Aditya; Dash, Susmita; Weibel, Justin A; Chen, Xuemei; Garimella, Suresh V

    2016-05-17

    We quantitatively characterize the flow field inside organic liquid droplets evaporating on a nonwetting substrate. A mushroom-structured surface yields the desired nonwetting behavior with methanol droplets, while use of a cooled substrate (5-15 °C) slows the rate of evaporation to allow quasi-static particle image velocimetry. Visualization reveals a toroidal vortex within the droplet that is characteristic of surface tension-driven flow; we demonstrate by means of a scaling analysis that this recirculating flow is Marangoni convection. The velocities in the droplet are on the order of 10-45 mm/s. Thus, unlike in the case of evaporation on wetting substrates where Marangoni convection can be ignored for the purpose of estimating the evaporation rate, advection due to the surface tension-driven flow plays a dominant role in the heat transfer within an evaporating droplet on a nonwetting substrate because of the large height-to-radius aspect ratio of the droplet. We formulate a reduced-order model that includes advective transport within the droplet for prediction of organic liquid droplet evaporation on a nonwetting substrate and confirm that the predicted temperature differential across the height of the droplet matches experiments.

  7. Excess molar volumes and isentropic compressibilities of binary ...

    Indian Academy of Sciences (India)

    and transport properties of n-alkanes and their mixtures. Several workers [1–4] have pre- viously studied excess properties of binary liquid mixtures containing chloroalkanes. In our [5–8] systematic investigation of the thermodynamic, acoustic and transport prop- erties of binary liquid mixtures, we have reported viscosities, ...

  8. Synthesis of liquid crystals derived from nitroazobenzene: a proposed multistep synthesis applied to organic chemistry laboratory classes

    International Nuclear Information System (INIS)

    Cristiano, Rodrigo; Cabral, Marilia Gabriela B.; Aquino, Rafael B. de; Cristiano, Claudia M.Z.

    2014-01-01

    We describe a synthetic route consisting of five steps from aniline to obtain liquid crystal compounds derived from nitroazobenzene. Syntheses were performed during the second half of the semester in organic chemistry laboratory classes. Students characterized the liquid crystal phase by the standard melting point techniques, differential scanning calorimetry and polarized optical microscopy. These experiments allow undergraduate students to explore fundamentally important reactions in Organic Chemistry, as well as modern concepts in Chemistry such as self-assembly and self-organization, nanostructured materials and molecular electronics. (author)

  9. Resistance switching of epitaxial VO2/Al2O3 heterostructure at room temperature induced by organic liquids

    Directory of Open Access Journals (Sweden)

    Mengmeng Yang

    2015-03-01

    Full Text Available We studied using organic liquids (cyclohexane, n-butanol, and ethylene glycol to modulate the transport properties at room temperature of an epitaxial VO2 film on a VO2/Al2O3 heterostructure. The resistance of the VO2 film increased when coated with cyclohexane or n-butanol, with maximum changes of 31% and 3.8%, respectively. In contrast, it decreased when coated with ethylene glycol, with a maximum change of −7.7%. In all cases, the resistance recovered to its original value after removing the organic liquid. This organic-liquid-induced reversible resistance switching suggests that VO2 films can be used as organic molecular sensors.

  10. Novel on-line column extraction apparatus coupled with binary peak focusing for high-performance liquid chromatography determination of rifampicin in human plasma: a strategy for therapeutic drug monitoring.

    Science.gov (United States)

    Li, Wei; Peng, Min; Long, Minghui; Qiu, Ximin; Yang, Liping

    2014-12-01

    In order to develop a method that is completely suitable for the routine therapeutic drug monitoring, a sensitive and fully automated on-line column extraction apparatus in combination with high-performance liquid chromatography allowing binary peak focusing was developed and validated for the determination of rifampicin in human plasma. Rifapentine was used as an internal standard. The analytical cycle started with the injection of 100 μL of the sample pretreated by protein precipitation in a Venusil SCX extraction column. After the elution, the analytes were transferred and concentrated in an Xtimate C18 trap column. Finally, the trapped analytes were separated by an Xtimate C18 analytical column and were analyzed by an ultraviolet detector at 336 nm. With this new strategy, continuous on-line analysis of the compounds was successfully performed. The method showed excellent performance for the analysis of rifampicin in plasma samples, including calibration curve linearity (All r were larger than 0.9996), sensitivity (lowest limit of quantification was 0.12 μg/mL), method accuracy (within 6.6% in terms of relative error), and precision (relative standard deviations of intra- and interday precision were less than 7.8%). These results demonstrated that the simple, reliable, and automatic method based on on-line column extraction and binary peak focusing is a promising approach for therapeutic drug monitoring in complex biomatrix samples. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. (Vapour + liquid) equilibrium data for the binary system of {trifluoroiodomethane (R13I1) + trans-1, 3, 3, 3-tetrafluoropropene (R1234ze (E))} at various temperatures from (258.150 to 298.150) K

    International Nuclear Information System (INIS)

    Guo Hao; Gong Maoqiong; Dong Xueqiang; Wu Jianfeng

    2012-01-01

    Highlights: ► VLE data for {R13I1 + R1234ze (E)} systems were measured. ► This work was based on the static-analytic method. ► The VLE data were correlated using the PR-HV-NRTL model. ► Obviously azeotropic behavior can be found. - Abstract: (Vapour + liquid) equilibrium (VLE) data for the binary system of {trifluoroiodomethane (R13I1) + trans-1, 3, 3, 3-tetrafluoropropene (R1234ze (E))} were measured by a static-analytic method within the temperature range of (258.150 to 298.150) K. The experimental data were correlated using the Peng–Robinson equation of state (PR EoS) with the Huron–Vidal (HV) mixing rule involving the NRTL activity coefficient model. The results show good agreement with experimental values for the binary system at each temperature point. The maximum average absolute relative deviation of pressure is 0.28%, while the maximum average absolute deviation of vapour phase mole fraction is 0.0025. Obviously azeotropic behaviour can be found for the measured temperature range here.

  12. On the Immersion Liquid Evaporation Method Based on the Dynamic Sweep of Magnitude of the Refractive Index of a Binary Liquid Mixture: A Case Study on Determining Mineral Particle Light Dispersion.

    Science.gov (United States)

    Niskanen, Ilpo; Räty, Jukka; Peiponen, Kai-Erik

    2017-07-01

    This is a feasibility study of a modified immersion liquid technique for determining the refractive index of micro-sized particles. The practical challenge of the traditional liquid immersion method is to find or produce a suitable host liquid whose refractive index equals that of a solid particle. Usually, the immersion liquid method uses a set of immersion liquids with different refractive indices or continuously mixes two liquids with different refractive indices, e.g., using a pumping system. Here, the phenomenon of liquid evaporation has been utilized in defining the time-dependent refractive index variation of the host liquid. From the spectral transmittance data measured during the evaporation process, the refractive index of a solid particle in the host liquid can be determined as a function of the wavelength. The method was tested using calcium fluoride (CaF 2 ) particles with an immersion liquid mixed from diethyl ether and diffusion pump fluid. The dispersion data obtained were consistent with the literature values thus indicating the proper functioning of the proposed procedure.

  13. (Vapor + liquid) equilibrium for the binary systems {l_brace}water + glycerol{r_brace} and {l_brace}ethanol + glycerol, ethyl stearate, and ethyl palmitate{r_brace} at low pressures

    Energy Technology Data Exchange (ETDEWEB)

    Coelho, Renata; Santos, Priscilla G. dos; Mafra, Marcos R. [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Cardozo-Filho, Lucio [Department of Chemical Engineering, Maringa State University (UEM), Av. Colombo 5790, 87020-900 Maringa, PR (Brazil); Corazza, Marcos L., E-mail: corazza@ufpr.br [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil)

    2011-12-15

    Highlights: > We measured VLE for the binary system {l_brace}ethyl stearate and palmitate + ethanol{r_brace}. > The boiling temperatures were obtained using Othmer-type ebuliometer. > The experimental data were modeled using NRTL, UNIQUAC, and UNIFAC models. - Abstract: This work reports the experimental measurements {l_brace}(vapor + liquid) equilibrium{r_brace} for the systems {l_brace}water(1) + glycerol(2){r_brace}, {l_brace}ethanol(1) + glycerol(2){r_brace}, {l_brace}ethanol(1) + ethyl stearate(2){r_brace}, and {l_brace}ethanol(1) + ethyl palmitate(2){r_brace}. Boiling temperatures were measured using an Othmer-type ebulliometer over a pressure range of 14 kPa to 96 kPa. The experimental data were well correlated using the NRTL and UNIQUAC models. The performance of the UNIFAC-Dortmund model in relation to predicting the phase equilibrium of the systems was also studied.

  14. Technical feasibility study for the electrochemical treatment of Phaeozem soil contaminated with radioactive organic liquids

    International Nuclear Information System (INIS)

    Valdovinos G, V.

    2014-01-01

    The application of radioisotopes in medicine and research generates radioactive waste. A large part of these wastes are composed by scintillation liquid (mixtures of organic solvents, as toluene and xylene, fluorescent materials and surfactants) contaminated with radioisotopes such as 3 H (12.3 y), 14 C (5730 y), 238 U (4.468 x 10 9 y), 232 Th (1.41 x 10 10 y), 204 Tl (3.7 y) or 22 Na (2.6 y). In Mexico during the 80 s, these wastes were absorbed on soil to decrease their hazardous behavior during interim storage. However, these wastes must be removed for reprocessing and final landscaping. Therefore, the objective of this thesis is to study the technical feasibility of the electrochemical treatment of soils types Phaeozem contaminated with radioactive organic liquid waste (ROLW). For this study, an electrochemical treatment at laboratory level was applied, giving it an electrokinetic tracking. Control samples were prepared with different scintillation liquid (INSTAL Gel- XF, ULTIMA Gold AB TM and ULTIMA Gold XR TM as support electrolyte and polarization curves were constructed to select the current with the highest mass transfer. An analysis of the liquids and solids, before and after the application of the different potentials; the liquid phase was characterized by Gas Chromatography coupled with Flame Ionized Detector (GC-FID) and Fourier Transform Infrared Spectrometry (Ft-Irs), and the solids by Ft-Irs. From the fourteen supports electrolytes studied, eleven did not have a stable diffusion current and the other three showed a diffusion current plateau in 0.02, 0.04 and 0.06 m A·cm -2 . From polarization curves, the following experimental conditions were chosen for the treatment: electrodes (meshes of titanium as anode and rod of stainless steel as cathode), scintillation liquid (ULTIMA Gold XR TM : water, 1:1) and a current of 0.06 m A·cm -2 . Subsequently, radioactive control samples were prepared with soil-scintillation liquid, labeled with 24 Na, 99m Tc

  15. Study of molecular interactions in binary liquid mixtures of 1-octanol with n-hexane, n-octane, and n-decane using volumetric, viscometric, and acoustic properties

    Energy Technology Data Exchange (ETDEWEB)

    Dubey, Gyan P. [Department of Chemistry, Kurukshetra University, Kurukshetra 136 119 (India)], E-mail: gyan.dubey@rediffmail.com; Sharma, Monika [Department of Chemistry, Kurukshetra University, Kurukshetra 136 119 (India)], E-mail: monika.phd906@gmail.com

    2008-06-15

    Experimental values of densities ({rho}) and speeds of sound (u) at T = (298.15, 303.15, and 308.15) K while the viscosities ({eta}) at T = 298.15 K in the binary mixtures of 1-octanol with n-hexane, n-octane, and n-decane are presented over the entire composition range of the binary mixtures. Using these data, excess molar volumes (V{sub m}{sup E}), viscosity deviation ({delta}{eta}), deviation in speeds of sound ({delta}u), deviation in isentropic compressibility ({delta}{kappa}{sub s}), excess free volume (V{sub f}{sup E}), and excess Gibbs free energy of activation of viscous flow ({delta}G*{sup E}) are calculated and presented graphically. All the computed quantities are fitted to a polynomial equation. The values of V{sub m}{sup E} have been analyzed using Prigogine-Flory-Patterson (PFP) theory. Furthermore, the theoretical values of speed of sound (u) and isentropic compressibility ({kappa}{sub s}) have also been estimated using the Prigogine-Flory-Patterson (PFP) theory with the van der Waals (vdW) potential energy model and the results have been compared with experimental values. The experimental and calculated quantities are used to study the nature of mixing behaviour between the mixture components.

  16. COMPARATIVE STUDY OF ORGANIC MENTAL DISORDERS OF VASCULAR ORIGIN WITH PARTICIPANTS OF THE LIQUIDATION OF THE CHERNOBYL ACCIDENT

    Directory of Open Access Journals (Sweden)

    G. M. Rumyantseva

    2011-01-01

    Full Text Available The result of the carried investigation of participants of liquidation of Chernobyl accident consequences, suffering from organic disease of a brain of a vascular origin with mental infringements, and patients with the similar pathology, not exposed with radiating influence, revealed a number of the сlinico- psychopathological and paraclinical peculiarities testifying heavier current of disease among liquidators, forming a chronic ischemic condition of a brain, and the atrophy phenomena among mentioned group.

  17. COMPARATIVE STUDY OF ORGANIC MENTAL DISORDERS OF VASCULAR ORIGIN WITH PARTICIPANTS OF THE LIQUIDATION OF THE CHERNOBYL ACCIDENT

    OpenAIRE

    G. M. Rumyantseva; T. M. Levina; O. V. Chinkina

    2011-01-01

    The result of the carried investigation of participants of liquidation of Chernobyl accident consequences, suffering from organic disease of a brain of a vascular origin with mental infringements, and patients with the similar pathology, not exposed with radiating influence, revealed a number of the сlinico- psychopathological and paraclinical peculiarities testifying heavier current of disease among liquidators, forming a chronic ischemic condition of a brain, and the atrophy phenomena among...

  18. Liquid scintillation counting standardization of 125I in organic and inorganic samples by the CIEMAT/NIST method

    International Nuclear Information System (INIS)

    Rodriguez Barquero, L.; Grau Malonda, A.; Los Arcos Merino, J. M.; Grau Carles, A.

    1994-01-01

    The liquid scintillation counting standardization of organic and inorganic samples of ''I25I by the CIEMAT/NIST method using five different scintillators is described. The discrepancies between experimental and computed efficiencies are lower than 1.4% and 1.7%, for inorganic and organic samples, respectively, in the interval 421-226 of quenching parameter. Both organic and inorganic solutions have been standardized in terms of activity concentration to an overall uncertainty of 0.76%. (Author) 14 refs

  19. Liquid scintillation counting standardization of ''125 I in organic and inorganic samples by the CIEMAT/NIST method

    International Nuclear Information System (INIS)

    Rodriguez Barquero, L.; Grau Malonda, A.; Los Arcos Merino, J.M.; Grau Carles, A.

    1994-01-01

    The liquid scintillation counting standardization of organic and inorganic samples of ''125 I by the CIEMAT/NIST method using five different scintillators is described. The discrepancies between experimental and computed efficiencies are lower than 1.4% and 1.7%, for inorganic and organic samples, respectively, in the interval 421-226 of quenching parameter. Both organic and inorganic solutions have been standardized in terms of activity concentration to an overall uncertainty of 0.76%

  20. Hybrid electrolytes based on ionic liquids and amorphous porous silicon nanoparticles: Organization and electrochemical properties

    KAUST Repository

    Tchalala, Mohammed

    2017-05-06

    Ionic liquids (ILs) and ionic liquid-nanoparticle (IL-NP) hybrid electrolytes have garnered a lot of interest due to their unique properties that stimulate their use in various applications. Herein, we investigate the electrochemical and photo-physical properties of organic-inorganic hybrid electrolytes based on three imidazolium-based ionic liquids, i.e., 1-buthyl-3-methylimidazolium thiocyanate ([bmim] [SCN]), 1-ethyl-3-methylimidazolium tetrafluoroborate ([emim] [BF4]) and 1-buthyl-3-methylimidazolium acetate ([bmim] [Ac]) that are covalently tethered to amorphous porous silicon nanoparticles (ap-Si NPs). We found that the addition of ap-Si NPs confer to the ILs a pronounced boost in the electrocatalytic activity, and in mixtures of ap-Si NPs and [bmim] [SCN], the room-temperature current transport is enhanced by more than 5 times compared to bare [bmim] [SCN]. A detailed structural investigation by transmission electron microscope (TEM) showed that the ap-Si NPs were well dispersed, stabilized and highly aggregated in [bmim] [SCN], [emim] [BF4] and [bmim] [Ac] ILs, respectively. These observations correlate well with the enhanced current transport observed in ap-Si NPs/[bmim] [SCN] evidenced by electrochemical measurements. We interpreted these observations by the use of UV–vis absorbance, photoluminescence (PL), FTIR and solid-state NMR spectroscopy. We found that the ap-Si NPs/[bmim] [SCN] hybrid stands out due to its stability and optical transparency. This behavior is attributed to the iron(III) thiocyanate complexion as per the experimental findings. Furthermore, we found that the addition of NPs to [emim] [BF4] alters the equilibrium of the IL, which consequently improved the stability of the NPs through intermolecular interactions with the two ionic layers (anionic and cationic layers) of the IL. While in the case of [bmim] [Ac], the dispersion of ap-Si NPs was restrained because of the high viscosity of this IL.

  1. Critical assessment of liquid density estimation methods for multifunctional organic compounds and their use in atmospheric science.

    Science.gov (United States)

    Barley, Mark H; Topping, David O; McFiggans, Gordon

    2013-04-25

    In order to model the properties and chemical composition of secondary organic aerosol (SOA), estimated physical property data for many thousands of organic compounds are required. Seven methods for estimating liquid density are assessed against experimental data for a test set of 56 multifunctional organic compounds. The group contribution method of Schroeder coupled with the Rackett equation using critical properties by Nannoolal was found to give the best liquid density values for this test set. During this work some problems with the representation of certain groups (aromatic amines and phenols) within the critical property estimation methods were identified, highlighting the importance (and difficulties) of deriving the parameters of group contribution methods from good quality experimental data. A selection of the estimation methods are applied to the 2742 compounds of an atmospheric chemistry mechanism, which showed that they provided consistent liquid density values for compounds with such atmospherically important (but poorly studied) functional groups as hydroperoxide, peroxide, peroxyacid, and PAN. Estimated liquid density values are also presented for a selection of compounds predicted to be important in atmospheric SOA. Hygroscopic growth factor (a property expected to depend on liquid density) has been calculated for a wide range of particle compositions. A low sensitivity of the growth factor to liquid density was found, and a single density value of 1350 kg·m(-3) could be used for all multicomponent SOA in the calculation of growth factors for comparison with experimentally measured values in the laboratory or the field without incurring significant error.

  2. Self-organization of phthalocyanine--[60]fullerene dyads in liquid crystals.

    Science.gov (United States)

    de la Escosura, Andrés; Martínez-Díaz, M Victoria; Barbera, Joaquín; Torres, Tomas

    2008-02-15

    The use of blends in which a mesogen induces mesomorphism into a non-mesogenic compound has made possible the self-organization of phthalocyanine--[60]fullerene (Pc-C60) dyads into liquid crystals. Pc-C60 dyads 1, 2, or 3, in which two photoactive units are brought together by a phenylenevinylene spacer, have been synthesized through a Heck reaction that links 4-vinylbenzaldehyde to a monoiodophthalocyanine precursor, followed by standard cycloaddition of azomethine ylides--generated from the formylPc derivative and N-methylglycine--to one of the double bonds of C60. The mesomorphic and thermal properties of different mixtures formed by the liquid-crystalline phthalocyanine 4 and dyads 1, 2, or 3 were examined using polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and X-ray diffraction (XRD). DSC diagrams of the blends show clear transitions from the crystalline state to a mesophase, and the measured structural parameters obtained from the powder diffraction experiments are consistent with a discotic hexagonal columnar (Col h) structure. Considering that segregation in domains of separated molecules of Pc-C60 dyad and phthalocyanine 4 would preclude mesomorphism due to the mismatch in the column diameter and to the lack of mesogenic character of the pure dyads, a predominance of alternating stacking is proposed. Additionally, the observed decrease in the calculated density of the blend mesophases relative to the mesophase of pure compound 4 is important evidence in this direction.

  3. Centralized Reliability Data Organization (CREDO) assessment of critical component unavailability in liquid metal reactors

    International Nuclear Information System (INIS)

    Koger, K.H.; Haire, M.J.; Humphrys, B.L.; Manneschmidt, J.F.; Setoguchi, K.; Nakai, R.

    1988-01-01

    The Centralized Reliability Data Organization (CREDO) is the largest repository of liquid metal reactor (LMR) component reliability data in the world. It is jointly sponsored by the US Dept. of Energy (DOE) and the Power Reactor and Nuclear Fuel Development Corporation (PNC) of Japan. The CREDO data base contains information on a population of more than 20,000 components and approximately 1500 event records. A conservative estimation is that the total component operating hours is approaching 2.2 billion hours. The work reported here focuses on the availability information contained in CREDO and the development of availability critical items lists. That is, individual components are ranked in prioritized lists from worst to best performers from an availability standpoint. Availability as used here is an inherent characteristics of the component and is not necessarily related to plant operability. A major observation is that a few components have a much higher unavailability factor than the average. The top fifteen components contribute 93%, 77%, and 87% of the total system unavailability for EBR-II, FFTF, and JOYO respectively. Critical components common to all three sites are mechanical pumps and electromagnetic pumps. Application of resources to these components with the highest unavailability will have the greatest effect on overall availability. All three sites demonstrate that low maintainability (i.e., long repair times), rather than unreliability (i.e., high failure rates), are the main contributors, by about a two-to-one margin, to liquid metal system unavailability

  4. Characterization of radioactive organic liquid wastes; Caracterizacion de desechos liquidos organicos radiactivos

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez A, I.; Monroy G, F.; Quintero P, E.; Lopez A, E.; Duarte A, C., E-mail: ivonne-arce@hotmail.com [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

    2014-10-15

    With the purpose of defining the treatment and more appropriate conditioning of radioactive organic liquid wastes, generated in medical establishments and research centers of the country (Mexico) and stored in drums of 208 L is necessary to characterize them. This work presents the physical-chemistry and radiological characterization of these wastes. The samples of 36 drums are presented, whose registrations report the presence of H-3, C-14 and S-35. The following physiochemical parameters of each sample were evaluated: ph, conductivity, density and viscosity; and analyzed by means of gamma spectrometry and liquid scintillation, in order to determine those contained radionuclides in the same wastes and their activities. Our results show the presence of H-3 (61%), C-14 (13%) and Na-22 (11%) and in some drums low concentrations of Co-60 (5.5%). In the case of the registered drums with S-35 (8.3%) does not exist presence of radioactive material, so they can be liberated without restriction as conventional chemical wastes. The present activities in these wastes vary among 5.6 and 2312.6 B g/g, their ph between 2 and 13, the conductivities between 0.005 and 15 m S, the densities among 1.05 and 1.14, and the viscosities between 1.1 and 39 MPa. (Author)

  5. Nanoscale organization in the fluorinated room temperature ionic liquid: Tetraethyl ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide

    Science.gov (United States)

    Lo Celso, F.; Appetecchi, G. B.; Jafta, C. J.; Gontrani, L.; Canongia Lopes, J. N.; Triolo, A.; Russina, O.

    2018-05-01

    Fluorinated Room Temperature Ionic Liquids (FRTILs) are a branch of ionic liquids that is the object of growing interest for a wide range of potential applications, due to the synergic combination of specifically ionic features and those properties that stem from fluorous tails. So far limited experimental work exists on the micro- and mesoscopic structural organization in this class of compounds. Such a work is however necessary to fully understand morphological details at atomistic level that would have strong implications in terms of bulk properties. Here we use the synergy between X-ray and neutron scattering together with molecular dynamics simulations to access structural details of a technologically relevant FRTIL that is characterised by an anion bearing a long enough fluorinated tail to develop specific morphological features. In particular, we find the first experimental evidence that in FRTILs bearing an asymmetric bis(perfluoroalkyl)sulfonyl-imide anion, fluorous side chains tend to be spatially segregated into nm-scale spatial heterogeneities. This feature together with the well-established micro-segregation of side alkyl chains in conventional RTILs leads to the concept of triphilic ILs, whose technological applications are yet to be fully developed.

  6. Tank 241-C-103 organic vapor and liquid characterization and supporting activities, Hanford Site, Richland, Washington

    International Nuclear Information System (INIS)

    1993-01-01

    The action proposed is to sample the vapor space and liquid waste and perform other supporting activities in Tank 241-C-103 located in the 241-C Tank Farm on the Hanford Site. Operations at Tank 241-C-103 are curtailed because of an unreviewed safety question (USQ) concerning flammability issues of the organic waste in the tank. This USQ must be resolved before normal operation and surveillance of the tank can resume. In addition to the USQ, Tank 241-C-103 is thought to be involved in several cases of exposure of individuals to noxious vapors. This safety issue requires the use of supplied air for workers in the vicinity of the tank. Because of the USQ, the US Department of Energy proposes to characterize the waste in the vapor space and the organic and aqueous layers, to determine the volume of the organic layer. This action is needed to: (1) assess potential risks to workers, the public, and the environment from continued routine tank operations and (2) provide information on the waste material in the tank to facilitate a comprehensive safety analysis of this USQ. The information would be used to determine if a flammable condition within the tank is credible. This information would be used to prevent or mitigate an accident during continued waste storage and future waste characterization. Alternatives to the proposed activities have been considered in this analysis

  7. Energy harvesting from organic liquids in micro-sized microbial fuel cells

    KAUST Repository

    Mink, J.E.

    2014-03-07

    Micro-sized microbial fuel cells (MFCs) are miniature energy harvesters that use bacteria to convert biomass from liquids into usable power. The key challenge is transitioning laboratory test beds into devices capable of producing high power using readily available fuel sources. Here, we present a pragmatic step toward advancing MFC applications through the fabrication of a uniquely mobile and inexpensive micro-sized device that can be fueled with human saliva. The 25-ll MFC was fabricated with graphene, a two-dimensional atomic crystal-structured material, as an anode for efficient current generation and with an air cathode for enabling the use of the oxygen present in air, making its operation completely mobile and free of the need for laboratory chemicals. With saliva as a fuel, the device produced higher current densities (1190 Am-3) than any previous aircathode micro-sized MFCs. The use of the graphene anode generated 40 times more power than that possible using a carbon cloth anode. Additional tests were performed using acetate, a conventional organic material, at high organic loadings that were comparable to those in saliva, and the results demonstrated a linear relationship between the organic loading and current. These findings open the door to saliva-powered applications of this fuel cell technology for Lab-on-a-Chip devices or portable point-of-care diagnostic devices. 2014 Nature Publishing Group All rights reserved 1884-4057/14.

  8. (Vapour + liquid) equilibria for the binary mixtures (1-propanol + dibromomethane, or + bromochloromethane, or + 1,2-dichloroethane or + 1-bromo-2-chloroethane) at T = 313.15 K

    International Nuclear Information System (INIS)

    Gil-Hernandez, V.; Garcia-Gimenez, P.; Otin, S.; Artal, M.; Velasco, I.

    2005-01-01

    Isothermal (vapour + liquid) equilibria (VLE) at 313.15 K have been measured for liquid 1-propanol + dibromomethane, or + bromochloromethane or + 1,2-dichloroethane or + 1-bromo-2-chloroethane mixtures. The VLE data were reduced using the Redlich-Kister equation taking into consideration the vapour phase imperfection in terms of the 2nd molar virial coefficients. The excess molar Gibbs free energies of all the studied mixtures are positive and ranging from 794 J·mol -1 for (1-propanol + bromochloromethane) and 1052 J·mol -1 for (1-propanol + 1-bromo-2-chloroethane), at x = 0.5. The experimental results are compared with modified UNIFAC predictions

  9. Sandwich-cell-type bulk-heterojunction organic solar cells utilizing liquid crystalline phthalocyanine

    Science.gov (United States)

    Nakata, Yuya; Usui, Toshiki; Nishikawa, Yuki; Nekelson, Fabien; Shimizu, Yo; Fujii, Akihiko; Ozaki, Masanori

    2018-03-01

    Sandwich-cell-type bulk-heterojunction organic solar cells utilizing the liquid crystalline phthalocyanine, 1,4,8,11,15,18,22,25-octahexylphthalocyanine (C6PcH2), have been fabricated and their photovoltaic properties have been studied. The short-circuit current (J SC) and power conversion efficiency (PCE) depended on the blend ratio of donor and acceptor molecules, and the maximum performance, such as J SC of 3.4 mA/cm2 and PCE of 0.67%, was demonstrated, when the blend ratio of the acceptor was 10 mol %. The photovoltaic properties were discussed by taking the relationship between the column axis direction of C6PcH2 and the carrier mobility in the active layer into consideration.

  10. Single-reactor process for producing liquid-phase organic compounds from biomass

    Science.gov (United States)

    Dumesic, James A [Verona, WI; Simonetti, Dante A [Middleton, WI; Kunkes, Edward L [Madison, WI

    2011-12-13

    Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

  11. Glass-sandwich-type organic solar cells utilizing liquid crystalline phthalocyanine

    Science.gov (United States)

    Usui, Toshiki; Nakata, Yuya; De Romeo Banoukepa, Gilles; Fujita, Kento; Nishikawa, Yuki; Shimizu, Yo; Fujii, Akihiko; Ozaki, Masanori

    2017-02-01

    Glass-sandwich-type organic solar cells utilizing liquid crystalline phthalocyanine, 1,4,8,11,15,18,22,25-octahexylphthalocyanine (C6PcH2), have been fabricated and their photovoltaic properties have been studied. The short-circuit current density (J sc) and power conversion efficiency (PCE) depend on the C6PcH2 layer thickness, and the maximum performance, such as a J sc of 7.1 mA/cm2 and a PCE of 1.64%, was demonstrated for a device having a 420-nm-thick C6PcH2 layer. We examined the photovoltaic properties from the viewpoint of the C6PcH2-layer electrical conductance, based on the distribution of the column-axis direction.

  12. Study of excited states in liquid organic systems with the use of pulse radiolysis

    International Nuclear Information System (INIS)

    Ramanan, G.

    1979-01-01

    Application of electron pulse radiolysis of liquid organic systems in the investigations of excited singlet and triplet states has been illustrated with ethyl acetate and hexafluorobenzene. The fluorescence spectrum and lifetime of singlet excited hexafluorobenzene ( 1 HFB*) in cyclohexane medium have been obtained using nanosecond electron pulses. The possible formation of excimer in this case has been investigated. Energy transfer reactions from excited benzene singlet to HFB in benzene and cyclohexane media have been studied and their transfer constants were evaluated. Pulse radiolysis of ethyl acetate in presence of different concentrations of anthracene or biphenyl were used in the study of solute triplets. An upper limit for the yield of excited singlet anthracene was estimated to be approximately 0.1. The contribution of ethyl acetate cations in forming the excited singlet states of anthracene has been discussed. (auth.)

  13. All-organic superhydrophobic coatings with mechanochemical robustness and liquid impalement resistance

    Science.gov (United States)

    Peng, Chaoyi; Chen, Zhuyang; Tiwari, Manish K.

    2018-03-01

    Superhydrophobicity is a remarkable evolutionary adaption manifested by several natural surfaces. Artificial superhydrophobic coatings with good mechanical robustness, substrate adhesion and chemical robustness have been achieved separately. However, a simultaneous demonstration of these features along with resistance to liquid impalement via high-speed drop/jet impact is challenging. Here, we describe all-organic, flexible superhydrophobic nanocomposite coatings that demonstrate strong mechanical robustness under cyclic tape peels and Taber abrasion, sustain exposure to highly corrosive media, namely aqua regia and sodium hydroxide solutions, and can be applied to surfaces through scalable techniques such as spraying and brushing. In addition, the mechanical flexibility of our coatings enables impalement resistance to high-speed drops and turbulent jets at least up to 35 m s-1 and a Weber number of 43,000. With multifaceted robustness and scalability, these coatings should find potential usage in harsh chemical engineering as well as infrastructure, transport vehicles and communication equipment.

  14. A novel series of isoreticular metal organic frameworks: Realizing metastable structures by liquid phase epitaxy

    KAUST Repository

    Liu, Jinxuan

    2012-12-04

    A novel class of metal organic frameworks (MOFs) has been synthesized from Cu-acetate and dicarboxylic acids using liquid phase epitaxy. The SURMOF-2 isoreticular series exhibits P4 symmetry, for the longest linker a channel-size of 3 3 nm2 is obtained, one of the largest values reported for any MOF so far. High quality, ab-initio electronic structure calculations confirm the stability of a regular packing of (Cu++) 2-carboxylate paddle-wheel planes with P4 symmetry and reveal, that the SURMOF-2 structures are in fact metastable, with a fairly large activation barrier for the transition to the bulk MOF-2 structures exhibiting a lower, twofold (P2 or C2) symmetry. The theoretical calculations also allow identifying the mechanism for the low-temperature epitaxial growth process and to explain, why a synthesis of this highly interesting, new class of high-symmetry, metastable MOFs is not possible using the conventional solvothermal process.

  15. Liquid- and Gas-Phase Diffusion of Ferrocene in Thin Films of Metal-Organic Frameworks

    Directory of Open Access Journals (Sweden)

    Wencai Zhou

    2015-06-01

    Full Text Available The mass transfer of the guest molecules in nanoporous host materials, in particular in metal-organic frameworks (MOFs, is among the crucial features of their applications. By using thin surface-mounted MOF films in combination with a quartz crystal microbalance (QCM, the diffusion of ferrocene vapor and of ethanolic and hexanic ferrocene solution in HKUST-1 was investigated. For the first time, liquid- and gas-phase diffusion in MOFs was compared directly in the identical sample. The diffusion coefficients are in the same order of magnitude (~10−16 m2·s−1, whereas the diffusion coefficient of ferrocene in the empty framework is roughly 3-times smaller than in the MOF which is filled with ethanol or n-hexane.

  16. CO2 Binding Organic Liquids Gas Capture with Polarity Swing Assisted Regeneration

    Energy Technology Data Exchange (ETDEWEB)

    Heldebrant, David [Battelle Memorial Institute, Columbus, OH (United States)

    2014-05-31

    This report outlines the comprehensive bench-scale testing of the CO2-binding organic liquids (CO2BOLs) solvent platform and its unique Polarity Swing Assisted Regeneration (PSAR). This study outlines all efforts on a candidate CO2BOL solvent molecule, including solvent synthesis, material characterization, preliminary toxicology studies, and measurement of all physical, thermodynamic and kinetic data, including bench-scale testing. Equilibrium and kinetic models and analysis were made using Aspen Plus™. Preliminary process configurations, a technoeconomic assessment and solvent performance projections for separating CO2 from a subcritical coal-fired power plant are compared to the U.S. Department of Energy's Case 10 monoethanolamine baseline.

  17. COST-BENEFIT ANALYSIS OF BIOCONVERSION NEUFCHATEL WHEY INTO RECTIFIED ETHANOL AND ORGANIC LIQUID FERTILIZER IN SEMI PILOT SCALE

    Directory of Open Access Journals (Sweden)

    Gemilang Lara UTAMA

    2015-10-01

    Full Text Available Aims of the study was to determine the cost-benefit analysis in neufchatel whey bioconversion into rectified ethanol and organic liquid fertilizer. Bioconversion whey into rectified ethanol and organic liquid fertilizer has shown great potential as a way to reduce the pollution resulting from cheese-making process. Semi pilot scale experiment was done to ferment 5 L neufchatel whey using 5% K. lactis at 33°C for 24 h in semi anaerobic plastic container without agitation and then distilled into 96.2% purity. Data collected and analyzed descriptively related to benefit cost ratio/BCR, net present value/NPV and internal rate returns/IRR. The result showed that semi pilot scale bioconversion of neufchatel whey resulting in 106.42 ml rectified ethanol and 4404.22 ml distillery residue. Economic benefit could achieved by the support of distillery residue sales as organic liquid fertilizer.

  18. Biochemistry Oxidation Process for Treatment the Simulation of Organic Liquid Radioactive Waste

    International Nuclear Information System (INIS)

    Gunandjar; Zainus Salimin; Sugeng Purnomo; Ratiko

    2010-01-01

    The nuclear industry activities generate the organic liquid wastes such as detergent waste from laundry, solvent waste of 30% TBP (tri-n-butyl phosphate) in kerosene from purification or recovery of uranium from rejection of nuclear fuel element fabrication, and solvent waste containing D 2 EHPA (di-2-ethyl hexyl phosphoric acid) and TOPO (trioctyl phospine oxide) in kerosene from phosphoric acid purification. The wastes are included in category of the hazard and poison materials which also radioactive, so that the wastes have to be treated to detoxification of the hazard and poison materials and decontamination of the radionuclides. The research of biochemistry oxidation process for treatment the simulation of organic liquid radioactive waste from laundry using mixture of aerobe bacteria of bacillus sp, pseudomonas sp, arthrobacter sp, and aeromonas sp have been carried out. The waste containing detergent 1,496 g/Litre, activity 10 -1 Ci/m 3 , with COD (Chemical Oxygen Demand) 128, BOD (Biological Oxygen Demand) 68 and TSS (Total Suspended Solid) 1000 ppm, it is treated by biochemistry oxidation with addition of bacteria which be fed nutrition of nitrogen and phosphor, and aeration. The result show that the bacteria can decompose the detergent to become carbon dioxyde and water so that can fulfill the quality standard of water group-B with content of BOD and COD are 6 and 10 ppm respectively, the time of decomposition is needed 106 hours to be fulfill the quality standard of water. The longer of process time will give bigger the total solid content in sludge, because the biomass generated from the colony of bacteria which life and dead to so much. (author)

  19. Polystyrene-block-Poly(ionic liquid) Copolymers as Work Function Modifiers in Inverted Organic Photovoltaic Cells.

    Science.gov (United States)

    Park, Jong Baek; Isik, Mehmet; Park, Hea Jung; Jung, In Hwan; Mecerreyes, David; Hwang, Do-Hoon

    2018-02-07

    Interfacial layers play a critical role in building up the Ohmic contact between electrodes and functional layers in organic photovoltaic (OPV) solar cells. These layers are based on either inorganic oxides (ZnO and TiO 2 ) or water-soluble organic polymers such as poly[(9,9-dioctyl-2,7-fluorene)-alt-(9,9-bis(3'-(N,N-dimethylamino)propyl)-2,7-fluorene)] and polyethylenimine ethoxylated (PEIE). In this work, we have developed a series of novel poly(ionic liquid) nonconjugated block copolymers for improving the performance of inverted OPV cells by using them as work function modifiers of the indium tin oxide (ITO) cathode. Four nonconjugated polyelectrolytes (n-CPEs) based on polystyrene and imidazolium poly(ionic liquid) (PSImCl) were synthesized by reversible addition-fragmentation chain transfer polymerization. The ratio of hydrophobic/hydrophilic block copolymers was varied depending on the ratio of polystyrene to the PSImCl block. The ionic density, which controls the work function of the electrode by forming an interfacial dipole between the electrode and the block copolymers, was easily tuned by simply changing the PSImCl molar ratio. The inverted OPV device with the ITO/PS 29 -b-PSImCl 60 cathode achieved the best power conversion efficiency (PCE) of 7.55% among the synthesized block copolymers, exhibiting an even higher PCE than that of the reference OPV device with PEIE (7.30%). Furthermore, the surface properties of the block copolymers films were investigated by contact angle measurements to explore the influence of the controlled hydrophobic/hydrophilic characters on the device performances.

  20. Study of the conductivity induced by radiations of very different linear energy transfer in certain nonpolar organic liquids

    International Nuclear Information System (INIS)

    Casanovas, Joseph.

    1975-01-01

    This study deals with ionization of some non polar dielectric liquids by radiations of very different linear energy transfers. Provided that some experimental precautions are taken the extrapolated free ion yields, Gsub(fi)sup(o), are in agreement with the clearing field ion yields. The Gsub(fi)sup(o) values are given for ten liquids irradiated by 60 Co γ rays and 210 Po α particles and the variation Gsub(fi) with temperature (10 deg C -1 ) are discussed. A similar study is carried out for some binary alkane-alkane and alkane electronegative compounds (CCl 4 , c-C 8 F 16 O) mixtures. Some hypothesis are presented in order to explain the free ion yield ''inhibition'' in those mixtures. Using the ONSAGER theory and the high field curves, Gsub(fi)=f(E), an attempt is made to determine the distribution function, F(r), of ion separation distances for each liquid. It is shown that ionization chambers filled with an alkane or an alkane-CCl 4 mixture in good proportions can be used for the dosimetry of X-rays of energy higher than 100 keV and the determination of the depth dose curve in a plexiglas phantom irradiated by the high energy electrons beams (10 MeV to 30 MeV) used in radiotherapy [fr

  1. Heterogeneous ice nucleation on phase-separated organic-sulfate particles: effect of liquid vs. glassy coatings

    Directory of Open Access Journals (Sweden)

    G. P. Schill

    2013-05-01

    Full Text Available Atmospheric ice nucleation on aerosol particles relevant to cirrus clouds remains one of the least understood processes in the atmosphere. Upper tropospheric aerosols as well as sub-visible cirrus residues are known to be enhanced in both sulfates and organics. The hygroscopic phase transitions of organic-sulfate particles can have an impact on both the cirrus cloud formation mechanism and resulting cloud microphysical properties. In addition to deliquescence and efflorescence, organic-sulfate particles are known to undergo another phase transition known as liquid–liquid phase separation. The ice nucleation properties of particles that have undergone liquid–liquid phase separation are unknown. Here, Raman microscopy coupled with an environmental cell was used to study the low temperature deliquescence, efflorescence, and liquid–liquid phase separation behavior of 2 : 1 mixtures of organic polyols (1,2,6-hexanetriol and 1 : 1 1,2,6-hexanetriol + 2,2,6,6-tetrakis(hydroxymethylcyclohexanol and ammonium sulfate from 240–265 K. Further, the ice nucleation efficiency of these organic-sulfate systems after liquid–liquid phase separation and efflorescence was investigated from 210–235 K. Raman mapping and volume-geometry analysis indicate that these particles contain solid ammonium sulfate cores fully engulfed in organic shells. For the ice nucleation experiments, we find that if the organic coatings are liquid, water vapor diffuses through the shell and ice nucleates on the ammonium sulfate core. In this case, the coatings minimally affect the ice nucleation efficiency of ammonium sulfate. In contrast, if the coatings become semi-solid or glassy, ice instead nucleates on the organic shell. Consistent with recent findings that glasses can be efficient ice nuclei, the phase-separated particles are nearly as efficient at ice nucleation as pure crystalline ammonium sulfate.

  2. Osmotic coefficients of binary mixtures of four ionic liquids with ethanol or water at T = (313.15 and 333.15) K

    International Nuclear Information System (INIS)

    Calvar, Noelia; Gonzalez, Begona; Dominguez, Angeles; Macedo, Eugenia A.

    2009-01-01

    Measurements of osmotic coefficients of BmimCl (1-butyl-3-methylimidazolium chloride) and HmimCl (1-hexyl-3-methylimidazolium chloride) with ethanol and EmimEtSO 4 (1-ethyl-3-methylimidazolium ethylsulfate) and EmpyEtSO 4 (1-ethyl-3-methylpyridinium ethylsulfate) with water at T = (313.15 and 333.15) K are reported in this work. Vapour pressure and activity results of the studied binary systems are obtained from experimental measurements. The results for the osmotic coefficients are correlated using the extended Pitzer model modified by Archer and the modified NRTL (MNRTL) model. The standard deviations obtained with both models are also given. The parameters obtained with the extended Pitzer model of Archer are used to calculate the mean molal activity coefficients

  3. Chiral Side Groups Trigger Second Harmonic Generation Activity in 3D Octupolar Bipyrimidine-Based Organic Liquid Crystals.

    Science.gov (United States)

    van Cleuvenbergen, Stijn; Kędziora, Przemysław; Fillaut, Jean-Luc; Verbiest, Thierry; Clays, Koen; Akdas-Kilig, Huriye; Camerel, Franck

    2017-08-01

    The design of efficient noncentrosymmetric materials remains the ultimate goal in the field of organic second-order nonlinear optics. Unlike inorganic crystals currently used in second-order nonlinear optical applications, organic materials are an attractive alternative owing to their fast electro-optical response and processability, but their alignment into noncentrosymmetric film remains challenging. Here, symmetry breaking by judicious functionalization of 3D organic octupoles allows the emergence of multifunctional liquid crystalline chromophores which can easily be processed into large, flexible, thin, and self-oriented films with second harmonic generation responses competitive to the prototypical inorganic KH 2 PO 4 crystals. The liquid-crystalline nature of these chiral organic films also permits the modulation of the nonlinear optical properties owing to the sensitivity of the supramolecular organization to temperature, leading to the development of tunable macroscopic materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Effective Permeability of Binary Mixture of Carbon Dioxide and Methane and Pre-Dried Raw Biogas in Supported Ionic Liquid Membranes

    Czech Academy of Sciences Publication Activity Database

    Kárászová, Magda; Sedláková, Zuzana; Friess, K.; Izák, Pavel

    2015-01-01

    Roč. 153, OCT 16 (2015), s. 14-18 ISSN 1383-5866 R&D Projects: GA ČR GA14-12695S; GA MŠk LH14006 Institutional support: RVO:67985858 Keywords : supported ionic liquid membrane * biogas upgrading * real biogas Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.299, year: 2015

  5. Isothermal Vapor-Liquid Equilibria in the Two Binary and the Ternary Systems Composed of tert-Amyl Methyl Ether, tert-Butanol, and Isooctane

    Czech Academy of Sciences Publication Activity Database

    Bernatová, Svatoslava; Pavlíček, Jan; Wichterle, Ivan

    2011-01-01

    Roč. 56, č. 4 (2011), s. 783-788 ISSN 0021-9568 R&D Projects: GA ČR GA104/07/0444 Institutional research plan: CEZ:AV0Z40720504 Keywords : vapor-liquid equilibrium * experimental data * prediction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.693, year: 2011

  6. Isothermal Vapour-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Propanol, 3-Methyl-2-Butanone and 2,2,4-Trimethylpentane.

    Czech Academy of Sciences Publication Activity Database

    Psutka, Štěpán; Wichterle, Ivan

    2008-01-01

    Roč. 264, 1-2 (2008) , s. 55-61 ISSN 0378-3812 R&D Projects: GA ČR(CZ) GA104/07/0444 Institutional research plan: CEZ:AV0Z40720504 Keywords : vapour–liquid equilibrium * experimental data * prediction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.699, year: 2008

  7. Isothermal Vapour-Liquid Equilibria in the Binary and Ternary Systems Composed of 2,2,4-Trimethylpentane, 2-Methyl-1-Propanol, and 4-Methyl-2-Pentanone

    Czech Academy of Sciences Publication Activity Database

    Bernatová, Svatoslava; Pavlíček, Jan; Wichterle, Ivan

    2011-01-01

    Roč. 307, č. 1 (2011), s. 66-71 ISSN 0378-3812 R&D Projects: GA ČR GA104/07/0444 Institutional research plan: CEZ:AV0Z40720504 Keywords : vapor-liquid equilibrium * experimental data * prediction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.139, year: 2011

  8. Fabrication of an organic light-emitting diode inside a liquid crystal display

    International Nuclear Information System (INIS)

    Lee, Jiun-Haw; Chang, Wei-Fu; Wu, Cheng-Che; Lin, Chi-Feng; Lee, Jiunn-Yih; Chiu, Tien-Lung

    2013-01-01

    The fabrication of a hybrid device architecture fully integrating a transparent organic light-emitting diode (OLED) and a liquid crystal display (LCD) within two glass substrates is reported in this study. The transparent OLED was fabricated on the inner surface of the glass substrate. Twisted nematic liquid crystal (LC) materials were used to fill the space between the two glass substrates. The OLED was driven by an indium-tin oxide (ITO) anode on the glass substrate and a thin bi-metal (Al/Ag) cathode, which also served as the electrode of the LCD. The other electrode for the LCD-mode operation was the ITO on the other glass substrate. A commercially available ultraviolet (UV)-curable resin was spun onto the thin Al/Ag as the passivation layer to protect the OLED from attacks by the following polyimide layer (serving as the alignment layer of the LCD), rubbing process and LC materials. In this device structure, the electrical characteristic of the OLED-mode operation was almost the same as that of the control device. Current efficiency (in terms of cd/A) of the hybrid device from top-emission (towards the LCD) decreased by 26.5% due to optical interference effect, whereas efficiency from bottom-emission remained the same. The driving voltage of the LCD-mode operation increased by 1.6 V due to the insertion of the passivation layer between the two electrodes. The contrast ratio decreased from 150 to 25 due to the reflection of the thin Al/Ag layer. Compared with that of the control device, the storage lifetime of the OLED increased as a result of filling the encapsulated cavity with LC materials, which helped repel ambient water and oxygen. - Highlights: • Organic light emitting device (OLED) was fabricated inside liquid crystal device (LCD). • LCD protected OLED from the attack of ambient oxygen and moisture. • OLED functions were not affected by LCD process with suitable treatment

  9. Effect of water on the physical properties and carbon dioxide capture capacities of liquid-like Nanoparticle Organic Hybrid Materials and their corresponding polymers

    KAUST Repository

    Petit, Camille

    2013-10-01

    Binary systems composed of liquid-like Nanoparticle Organic Hybrid Materials (NOHMs) and the secondary fluid (i.e., water) were prepared, and their thermal stabilities, densities, viscosities, and CO2 absorption capacities were investigated. Recent work has suggested NOHMs as an alternative CO2 capture media with interesting chemical and physical tunability. Anhydrous CO2 capture solvents often degrade when they are exposed to water, while flue gas generally contains about 8-16% water. Thus, this study was conducted to investigate the effect of water on the NOHMs\\' properties relevant to CO2 capture as well as the chemical and thermal stabilities of H2O-loaded NOHMs. It was found that water acted as an antisolvent of NOHMs, and therefore, caused a decreased CO2 capture capacity. On the other hand, the results indicated that while water did not affect the NOHMs\\' thermal stability, it significantly helped lowering their density and viscosity. In order to investigate the effect of intermolecular interactions among two fluids on the density and viscosity, the excess volumes and viscosity deviations were calculated and correlated with Redlich-Kister equations. The trends revealed the existence of strong intermolecular interactions between water molecules and the poly(ethlyne glycol) component of NOHMs, which may have caused the drastic decrease in the NOHMs\\' viscosity with the addition of water. © 2013 Elsevier Inc.

  10. Air-assisted liquid-liquid microextraction using floating organic droplet solidification for simultaneous extraction and spectrophotometric determination of some drugs in biological samples through chemometrics methods

    Science.gov (United States)

    Farahmand, Farnaz; Ghasemzadeh, Bahar; Naseri, Abdolhossein

    2018-01-01

    An air assisted liquid-liquid microextraction by applying the solidification of a floating organic droplet method (AALLME-SFOD) coupled with a multivariate calibration method, namely partial least squares (PLS), was introduced for the fast and easy determination of Atenolol (ATE), Propanolol (PRO) and Carvedilol (CAR) in biological samples via a spectrophotometric approach. The analytes would be extracted from neutral aqueous solution into 1-dodecanol as an organic solvent, using AALLME. In this approach a low-density solvent with a melting point close to room temperature was applied as the extraction solvent. The emulsion was immediately formed by repeatedly pulling in and pushing out the aqueous sample solution and extraction solvent mixture via a 10-mL glass syringe for ten times. After centrifugation, the extractant droplet could be simply collected from the aqueous samples by solidifying the emulsion at a lower than the melting point temperature. In the next step, analytes were back extracted simultaneously into the acidic aqueous solution. Derringer and Suich multi-response optimization were utilized for simultaneous optimizing the parameters of three analytes. This method incorporates the benefits of AALLME and dispersive liquid-liquid microextraction considering the solidification of floating organic droplets (DLLME-SFOD). Calibration graphs under optimized conditions were linear in the range of 0.30-6.00, 0.32-2.00 and 0.30-1.40 μg mL- 1 for ATE, CAR and PRO, respectively. Other analytical parameters were obtained as follows: enrichment factors (EFs) were found to be 11.24, 16.55 and 14.90, and limits of detection (LODs) were determined to be 0.09, 0.10 and 0.08 μg mL- 1 for ATE, CAR and PRO, respectively. The proposed method will require neither a highly toxic chlorinated solvent for extraction nor an organic dispersive solvent in the application process; hence, it is more environmentally friendly.

  11. Determination and modelling of osmotic coefficients and vapour pressures of binary systems 1- and 2-propanol with CnMimNTf2 ionic liquids (n = 2, 3, and 4) at T = 323.15 K

    International Nuclear Information System (INIS)

    Calvar, Noelia; Gomez, Elena; Dominguez, Angeles; Macedo, Eugenia A.

    2011-01-01

    Highlights: → Osmotic coefficients of 1- and 2-propanol with C n MimNTf 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 2 MimNTf 2 , 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide, C 3 MimNTf 2 , and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, C 4 MimNTf 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.

  12. Thermophysical properties of biodiesel and related systems. Part I. Vapour–liquid equilibrium at low pressures of binary and ternary systems involving methanol, ethanol, glycerol, water and NaCl

    International Nuclear Information System (INIS)

    Veneral, Josamaique G.; Benazzi, Tassio; Mazutti, Marcio A.; Voll, Fernando A.P.; Cardozo-Filho, Lúcio; Corazza, Marcos L.; Guirardello, Reginaldo; Vladimir Oliveira, J.

    2013-01-01

    Highlights: ► Experimental vapour–liquid equilibrium data of multicomponent mixtures of biodiesel-related systems. ► Othmer-type ebulliometer in the pressure range of 6.7 to 66.7 kPa. ► Experimental data satisfactorily represented by the UNIQUAC model. -- Abstract: Experimental vapour–liquid equilibrium data of several binary mixtures (methanol + glycerol), (ethanol + glycerol) and (glycerol + water) and ternary (methanol + glycerol + water), (ethanol + glycerol + water) and (water + glycerol + NaCl) were obtained over the pressure range of 6.7 kPa to 66.7 kPa through an Othmer-type ebulliometer, allowing the construction of temperature – mass fraction and pressure – temperature diagrams. It is shown that the systems without NaCl were satisfactorily represented by the UNIQUAC model with good agreement between theory and experimental results. It was observed that alcohol concentrations lower than 10 wt% increase the phase transition temperature. The systems investigated show positive deviations in relation to Raoult’s law. Results presented in this work may be relevant in process design towards efficient recovering of components in the biodiesel down-stream processes

  13. Analysis of guest binary mixtures by tert-butylcalix[6]arene using host memory of previously bound guests.

    Science.gov (United States)

    Safina, Goulnaz D; Ziganshin, Marat A; Gubaidullin, Aidar T; Gorbatchuk, Valery V

    2013-02-28

    A new principle of quantitative and qualitative analysis of binary organic mixtures is offered, which is based on an ability of calixarene receptor for specific polymorphic transitions related to the composition of the analyzed guest mixture. The ability of tert-butylcalix[6]arene to remember selectively some guests bound from headspace both of pure liquids and their binary mixtures is used. The image of guest mixture remains written in metastable polymorphs of host after partial or complete guest elimination from clathrates. The memory was read using differential scanning calorimetry as the enthalpy of exothermic polymorphic transition of host collapse. This enthalpy monotonously changes with the variation of guests' ratio in mixture, unlike the enthalpies of endothermic pseudopolymorphic transitions of guest release. So, the composition of volatile binary mixture can be estimated using only one receptor and only one its parameter even in absence of preferential binding from a binary mixture of guests. This is an example of a genuine molecular recognition.

  14. Determination of Diffusion Coefficients and Activation Energy of Selected Organic Liquids using Reversed-Flow Gas Chromatographic Technique

    International Nuclear Information System (INIS)

    Khalisanni Khalid; Rashid Atta Khan; Sharifuddin Mohd Zain

    2012-01-01

    Evaporation of vaporize organic liquid has ecological consequences when the compounds are introduced into both freshwater and marine environments through industrial effluents, or introduced directly into the air from industrial unit processes such as bioreactors and cooling towers. In such cases, a rapid and simple method are needed to measure physicochemical properties of the organic liquids. The Reversed-Flow Gas Chromatography (RF-GC) sampling technique is an easy, fast and accurate procedure. It was used to measure the diffusion coefficients of vapors from liquid into a carrier gas and at the same time to determine the rate coefficients for the evaporation of the respective liquid. The mathematical expression describing the elution curves of the samples peaks was derived and used to calculate the respective parameters for the selected liquid pollutants selected such as methanol, ethanol, 1-propanol, 1-butanol, n-pentane, n-hexane, n-heptane and n-hexadecane, evaporating into the carrier gas of nitrogen. The values of diffusion coefficients found were compared with those calculated theoretically or reported in the literature. The values of evaporation rate were used to determine the activation energy of respective samples using Arrhenius equation. An interesting finding of this work is by using an alternative mathematical analysis based on equilibrium at the liquid-gas interphase, the comparison leads to profound agreement between theoretical values of diffusion coefficients and experimental evidence. (author)

  15. Selective Extraction of Organic Contaminants from Soil Using Pressurised Liquid Extraction

    Directory of Open Access Journals (Sweden)

    Rozita Osman

    2013-01-01

    Full Text Available This study focuses on the application of sorbents in pressurised liquid extraction (PLE cell to establish a selective extraction of a variety of organic contaminants (polycyclic aromatic hydrocarbons (PAHs, chlorpyrifos, phenol, pentachlorophenol, and sterols from soil. The selectivity and efficiency of each sorbent depend on the properties of the material, extracting solvent, capacity factor, organic compounds of interest, and PLE operating parameters (temperature, pressure, and extraction time. Several sorbents (silica, alumina, and Florisil were evaluated and with the proper choice of solvents, polar and nonpolar compounds were successfully separated in two fractions. Nonpolar compounds (PAHs, chlorpyrifos, and pentachlorophenol were recovered in the first fraction using a polar sorbent such as Florisil or alumina, and n-hexane as eluting solvent, while more polar compounds (phenol and sterols were recovered in the second fraction using methanol. Silica (5 g was found to be effective for selective extraction with the satisfactory recoveries for all compounds (PAHs from 87.1–96.2%, chlorpyrifos 102.9%, sterols from 93.7–100.5%, phenol 91.9%, and pentachlorophenol 106.2%. The efficiency and precision of this extraction approach and the existing EPA Method 3545 were compared.

  16. Utilization Of Golden Snail As Alternative Liquid Organic Fertilizer LOF On Paddy Farmers In Dairi Indonesia

    Directory of Open Access Journals (Sweden)

    Ameilia Zuliyanti Siregar

    2017-11-01

    Full Text Available Golden snail Pomaceae canaliculata is a pest of rice plants and used as a food source to be processed into satay seasoning spices biscuits pastry candy crackers animal feed and fertilizer. In Lae Parira village the golden snail is very diverse. Because of this reason the preliminary study and utilization of golden snail used for of liquid organic fertilizer called LOF or and microorganisms local MOL. The golden snail is obtained from a livestock that is still alive and then washed boiled and removed from its shell. The golden snail meat is cut into small pieces separated from the intestine and other visceral organs. Flesh of golden snail give coconut water dilute brown sugar EM4 and fermentation until 10-14 days. The use of mashed LOF can be sprayed on the surface of the soil or all parts of the plant. For fertilization in rice plants the recommended dose of 250 ml15 liters of water is sprayed on the rice age 10 days after planting and repeated again at interval distance of 15 days. Fertilization on the plant recommended 200ml 15 liters of water sprayed on leaves and soil 7 days after planting and repeated every 7 days. The golden snail is potensial used for fertilizer in paddy plantation environmentally.

  17. The first solution heats and primary curvature of formation enthalpy isotherms of liquid binary iron alloys with scandium, yttrium, lanthanum and cerium

    International Nuclear Information System (INIS)

    Esin, Yu.O.; Valishev, M.G.; Ermakov, A.F.; Demin, S.E.; Gel'd, P.V.

    1984-01-01

    Experimental values of the first solution heats Δ anti Hsub(i)sup(0) and initial curvature Δ 2 anti Hsub(i)sup(0) of formation enthalpy isotherms of alloys for diluted iron alloys with scandium, yttrium, lanthanum and cerium are discussed. The first partial enthalpy of liquid scandium dissolution in liquid iron is shown to be equal to - (42.3+-3) kJ/g-at. The minimum value of integral formation enthalpy, as calculated by means of a polynomial approximating the experimental data, makes up - (8+-1) kJ/g-at. at 29 at.% Sc. The value Δsup(2)anti Hsub(Sc)sup(0) turned out to be equal to 46+-20 kJ/g-at. The considered electronic structure model correctly reflects basic features of the alloy formation energetics in the investigated systems

  18. Development of a Program to Calculate Liquid-Liquid Phase Equilibria in Multicomponent Systems Consist of Organic Substances

    National Research Council Canada - National Science Library

    Mironenko, M

    1992-01-01

    .... The model applies the Gibbs energy minimization method for phase equilibria computation combined with the UNIFAC routine and thermodynamic database for calculating activity coefficients of organic...

  19. Experimental vapour–liquid equilibrium data and modeling for binary mixtures of 1-butene with 1,1,2,3,3,3-hexafluoro-1-propene, 2,2,3-trifluoro-3-(trifluoromethyl)oxirane, or difluoromethane

    International Nuclear Information System (INIS)

    Subramoney, Shalendra Clinton; Valtz, Alain; Coquelet, Christophe; Richon, Dominique; Naidoo, Paramespri; Ramjugernath, Deresh

    2013-01-01

    Highlights: ► VLE data for 1,1,2,3,3,3-hexafluoro-1-propene + 1-butene at (313.05 to 327.81) K. ► VLE data for 2,2,3-trifluoro-3-(trifluoromethyl)oxirane + 1-butene at (312.93 to 342.83) K. ► VLE data for the difluoromethane + 1-butene at (302.86 to 332.92) K. ► Experimental data correlated with the Peng–Robinson EoS with Wong–Sandler mixing rule. -- Abstract: Novel isothermal (P–x–y) vapour–liquid equilibrium data are reported at three temperatures for each of the (1,1,2,3,3,3-hexafluoro-1-propene + 1-butene), (2,2,3-trifluoro-3-(trifluoromethyl)oxirane + 1-butene), and (difluoromethane + 1-butene) binary systems. The experimental values were measured on a “static–analytic” type apparatus which utilized two electromagnetic ROLSI TM capillary samplers for repeatable and reliable equilibrium phase sampling and handling. The VLE results are correlated with in-house thermodynamic software based on the “PR–MC–WS–NRTL” model which comprises the Mathias–Copeman alpha function, Wong–Sandler mixing rule, and non-random two-liquid local composition activity model introduced in the Peng–Robinson equation of state. A maximum pressure azeotrope is observed at all temperatures studied for the (2,2,3-trifluoro-3-(trifluoromethyl)oxirane + 1-butene), and (difluoromethane + 1-butene systems), but not for the 1,1,2,3,3,3-hexafluoro-1-propene system. Liquid–liquid immiscibility is not observed for any of the systems studied over the range of temperatures investigated

  20. Ultrasound-air-assisted demulsified liquid-liquid microextraction by solidification of a floating organic droplet for determination of three antifungal drugs in water and biological samples.

    Science.gov (United States)

    Ezoddin, Maryam; Shojaie, Mehran; Abdi, Khosrou; Karimi, Mohammad Ali

    2017-03-01

    A novel ultrasound-air-assisted demulsified liquid-liquid microextraction by solidification of a floating organic droplet (UAAD-LLM-SFO) followed by HPLC-UV detection was developed for the analysis of three antifungal drugs in water and biological samples. In this method, 1-dodecanol was used as the extraction solvent. The emulsion was rapidly formed by pulling in and pushing out the mixture of sample solution and extraction solvent for 5 times repeatedly using a 10-mL glass syringe while sonication was performed. Therefore, an organic dispersive solvent required in common microextraction methods was not used in the proposed method. After dispersing, an aliquot of acetonitrile was introduced as a demulsifier solvent into the sample solution to separate two phases. Therefore, some additional steps, such as the centrifugation, ultrasonication, or agitation of the sample solution, are not needed. Parameters influencing the extraction recovery were investigated. The proposed method showed a good linearity for the three antifungal drugs studied with the correlation coefficients (R 2  > 0.9995). The limits of detection (LODs) and the limits of the quantification (LOQs) were between 0.01-0.03 μg L -1 and 0.03-0.08 μg L -1 , respectively. The preconcentration factors (PFs) were in the range of 107-116, respectively. The precisions, as the relative standard deviations (RSDs) (n = 5), for inter-day and intra-day analysis were in the range of 2.1-4.5% and 6.5-8.5%, respectively. This method was successfully applied to determine the three antifungal drugs in tap water and biological samples. The recoveries of antifungal drugs in these samples were 92.4-98.5%. Graphical abstract Ultrasound-air-assisted demulsified liquid-liquid microextraction by solidification of a floating organic droplet for the analysis of three antifungal drugs prior HPLC-UV.

  1. Applications of ionic liquids in biphasic separation: Aqueous biphasic systems and liquid-liquid equilibria.

    Science.gov (United States)

    Shukla, Shashi Kant; Pandey, Shubha; Pandey, Siddharth

    2017-10-10

    Ionic liquids (ILs) have been receiving much attention in many fields of analytical chemistry because of their various interesting properties which distinguish them from volatile organic compounds. They offer both directional and non-directional forces towards a solute molecule and therefore act as excellent solvents for a wide range of polar and non-polar compounds. Because of the presence of various possible interactions, ILs easily undergo biphasic separation with water and other less polar/non-polar organic solvents. Their ability to create biphasic splitting makes them a promising candidate for liquid-liquid separation processes, such as aqueous biphasic systems and liquid-liquid equilibria. Various aspects of ILs in these separation methods are discussed in view of the origin of physical forces responsible for the biphasic interactions, the effect of structural components, temperature, pressure, pH and additives. The specific advantages of using ILs in aqueous biphasic systems and liquid-liquid equilibria in binary and ternary systems are discussed with a view to defining their future role in separation processes by giving major emphasis on developing non-toxic ILs with physical and solution properties tailored to the needs of specific sample preparation techniques. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Condition of organ of vision and free radical process parameters in liquidators of the Chernobyl accident

    International Nuclear Information System (INIS)

    Sosnovsky, S.; Danilicnev, V.; Nikiforov, A.; Zybina, N.; Nesteruk, L.

    1997-01-01

    84 liquidators of consequences of Chernobyl APS accident from the age of 28 to 58 were examined. The control group was made with 22 men from the age of 28 to 52. A certain increase of infringement of a transparency of lens without typical attributes of radiating cataract is revealed in the experimental group. Electrophysiological investigation (EPI) shows a certain reduction of amplitude of a wave ''a'' of macular electroretinogram (ERG) on green stimulus, amplitude of a main component and lengthening of an interpeak time interval of flicker ERG 10 Hz is revealed. These changes indicate the tendency to reduction of functional activity of a retina (first of all at a level of photoreceptors) in paramacular and in a smaller degree in peripheral zones among liquidators. The parameters of contrast sensitivity are definitely reduced in the experimental group for all stimuli on all spatial frequencies. Luminous and colour sensitivity to stimuli of different colour in the experimental group is definitely reduced in all central field of sight, but in paracentral zone the degree of reduction is higher. We investigated the parameters of oxidative stress in both groups. Definite increase of production of the reactive oxygen species and disbalance of a glutathione link of antioxidant protection are revealed. Authentic correlation dependences are revealed: moderate direct correlation - between a level of glutathione reductase and amplitude of a main component of flicker ERG 10 Hz, between a level of oxidized glutathione and interpeak time interval of flicker ERG 10 Hz, inverse correlation - between the level of oxidized glutathione and amplitude of a main component of flicker ERG 10 Hz. In view of large spontaneous activity of free radical processes in a retina in norm the received results can explain revealed changes of an organ of vision. (author)

  3. Dissimilar Crystal Dependence of Vanadium Oxide Cathodes in Organic Carbonate and Safe Ionic Liquid Electrolytes.

    Science.gov (United States)

    Tartaj, Pedro; Amarilla, Jose M; Morales, Enrique; Vazquez-Santos, Maria B

    2016-01-27

    Advances in Li metal anode stabilization, solid-state electrolytes, and capabilities to insert a variety of active ions (Li(+), Na(+), Mg(2+), and Al(3+)) have renewed the interest in layered vanadium oxides. Here we show that crystal characteristics such as size and crystallinity are fundamental variables that control the dissimilar electrochemical capabilities of 1D vanadium oxides immersed in different electrolytes (organic carbonates and safe electrolytes containing 80% of ionic liquid). We show that this opposite behavior can be understood in terms of a subtle interplay between crystal characteristics (size and crystallinity), electrolyte degradability, and the ionic conductivity of the electrolyte. Thus, through this control we are able to obtain pure 1D vanadium oxides that show reversibility in carbonate electrolytes at a cutoff voltage of 1.5 V (voltage region where insertion of more than two lithium ions is possible). Furthermore, these materials are able to uptake ca. 1.0 mol of Li at a rate of 20C (1C = 295 mAh/g) and retain excellent capabilities (Coulombic efficiency of 98% after 200 cycles at a rate of 5C). Finally, what, to our knowledge, is really remarkable is that this optimization allows building vanadium oxide electrodes with an excellent electrochemical response in a safe electrolyte composition (80% of ionic liquid). Specifically, we reach uptakes also at a cutoff voltage of 1.5 V of ca. 1.0 mol of Li after 200 cycles at 5C (charge/discharge) with Coulombic efficiencies higher than 99.5%.

  4. A Monte Carlo Model for Neutron Coincidence Counting with Fast Organic Liquid Scintillation Detectors

    International Nuclear Information System (INIS)

    Gamage, Kelum A.A.; Joyce, Malcolm J.; Cave, Frank D.

    2013-06-01

    Neutron coincidence counting is an established, nondestructive method for the qualitative and quantitative analysis of nuclear materials. Several even-numbered nuclei of the actinide isotopes, and especially even-numbered plutonium isotopes, undergo spontaneous fission, resulting in the emission of neutrons which are correlated in time. The characteristics of this i.e. the multiplicity can be used to identify each isotope in question. Similarly, the corresponding characteristics of isotopes that are susceptible to stimulated fission are somewhat isotope-related, and also dependent on the energy of the incident neutron that stimulates the fission event, and this can hence be used to identify and quantify isotopes also. Most of the neutron coincidence counters currently used are based on 3 He gas tubes. In the 3 He-filled gas proportional-counter, the (n, p) reaction is largely responsible for the detection of slow neutrons and hence neutrons have to be slowed down to thermal energies. As a result, moderator and shielding materials are essential components of many systems designed to assess quantities of fissile materials. The use of a moderator, however, extends the die-away time of the detector necessitating a larger coincidence window and, further, 3 He is now in short supply and expensive. In this paper, a simulation based on the Monte Carlo method is described which has been performed using MCNPX 2.6.0, to model the geometry of a sector-shaped liquid scintillation detector in response to coincident neutron events. The detection of neutrons from a mixed-oxide (MOX) fuel pellet using an organic liquid scintillator has been simulated for different thicknesses of scintillators. In this new neutron detector, a layer of lead has been used to reduce the gamma-ray fluence reaching the scintillator. The effect of lead for neutron detection has also been estimated by considering different thicknesses of lead layers. (authors)

  5. Reactivity of liquid and semisolid secondary organic carbon with chloride and nitrate in atmospheric aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Bingbing [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); O' Brien, Rachel E. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of the Pacific, Stockton, CA (United States); Kelly, Stephen T. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Shilling, John E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Moffet, Ryan C. [Univ. of the Pacific, Stockton, CA (United States); Gilles, Mary K. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Laskin, Alexander [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-05-14

    Constituents of secondary organic carbon (SOC) in atmospheric aerosols are often mixed with inorganic components and compose a significant mass fraction of fine particulate matter in the atmosphere. Interactions between SOC and other condensed-phase species are not well understood. Here, we investigate the reactions of liquid-like and semi-solid SOC from ozonolysis of limonene (LSOC) and α-pinene (PSOC) with NaCl using a set of complementary micro-spectroscopic analyses. These reactions result in chloride depletion in the condensed phase, release of gaseous HCl, and formation of organic salts. The reactions attributed to acid displacement by SOC acidic components are driven by the high volatility of HCl. Similar reactions can take place in SOC/NaNO₃ particles. The results show that an increase in SOC mass fraction in the internally mixed SOC/NaCl particles leads to higher chloride depletion. Glass transition temperatures and viscosity of PSOC were estimated for atmospherically relevant conditions. Data show that the reaction extent depends on SOC composition, particle phase state and viscosity, mixing state, temperature, relative humidity (RH), and reaction time. LSOC shows slightly higher potential to deplete chloride than PSOC. Higher particle viscosity at low temperatures and RH can hinder these acid displacement reactions. Formation of organic salts from these overlooked reactions can alter particle physiochemical properties and may affect their reactivity and ability to act as cloud condensation and ice nuclei. The release and potential recycling of HCl and HNO₃ from reacted aerosol particles may have important implications for atmospheric chemistry.

  6. Determination and modeling of binary and ternary solid-liquid phase equilibrium for the systems formed by 3,5-dinitrobenzoic acid, m-nitrobenzoic acid and acetone

    International Nuclear Information System (INIS)

    Li, Xinbao; Du, Cunbin; Zhao, Hongkun

    2017-01-01

    Highlights: • The solubility of 3,5-dinitrobenzoic acid in acetone was determined. • Solubility of m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone was determined. • Three ternary phase diagrams were constructed for the ternary system. • The ternary phase diagrams were calculated by Wilson model and NRTL model. - Abstract: The solubility of 3,5-dinitrobenzoic acid in acetone at the temperatures ranging from (283.15 to 318.15) K and the mutual solubility of the ternary m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone system at (283.15, 298.15 and 313.15) K were determined experimentally by using the isothermal saturation method under atmosphere pressure (101.2 kPa). Three isothermal ternary phase diagrams were constructed according to the measured mutual solubility data. In each ternary phase diagram, there was one co-saturated point, two boundary curves, and three crystalline regions. The modified Apelblat equation, λh equation, NRTL model and Wilson model were used to correlate the solubility of 3,5-dinitrobenzoic acid in acetone; and the NRTL and Wilson models, the mutual solubility for the ternary m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone system. The value of root-mean-square deviation (RMSD) was 8.53 × 10 −4 for the binary system of 3,5-dinitrobenzoic acid + acetone; and the largest value of RMSD was 81.08 × 10 −4 for the ternary system.

  7. pH-specific hydrothermal assembly of binary and ternary Pb(II)-(O,N-carboxylic acid) metal organic framework compounds: correlation of aqueous solution speciation with variable dimensionality solid-state lattice architecture and spectroscopic signatures.

    Science.gov (United States)

    Gabriel, C; Perikli, M; Raptopoulou, C P; Terzis, A; Psycharis, V; Mateescu, C; Jakusch, T; Kiss, T; Bertmer, M; Salifoglou, A

    2012-09-03

    Hydrothermal pH-specific reactivity in the binary/ternary systems of Pb(II) with the carboxylic acids N-hydroxyethyl-iminodiacetic acid (Heida), 1,3-diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid (Dpot), and 1,10-phenanthroline (Phen) afforded the new well-defined crystalline compounds [Pb(Heida)](n)·nH(2)O(1), [Pb(Phen)(Heida)]·4H(2)O(2), and [Pb(3)(NO(3))(Dpot)](n)(3). All compounds were characterized by elemental analysis, FT-IR, solution or/and solid-state NMR, and single-crystal X-ray diffraction. The structures in 1-2 reveal the presence of a Pb(II) center coordinated to one Heida ligand, with 1 exhibiting a two-dimensional (2D) lattice extending to a three-dimensional (3D) one through H-bonding interactions. The concurrent aqueous speciation study of the binary Pb(II)-Heida system projects species complementing the synthetic efforts, thereby lending credence to a global structural speciation strategy in investigating binary/ternary Pb(II)-Heida/Phen systems. The involvement of Phen in 2 projects the significance of nature and reactivity potential of N-aromatic chelators, disrupting the binary lattice in 1 and influencing the nature of the ultimately arising ternary 3D lattice. 3 is a ternary coordination polymer, where Pb(II)-Dpot coordination leads to a 2D metal-organic-framework material with unique architecture. The collective physicochemical properties of 1-3 formulate the salient features of variable dimensionality metal-organic-framework lattices in binary/ternary Pb(II)-(hydroxy-carboxylate) structures, based on which new Pb(II) materials with distinct architecture and spectroscopic signature can be rationally designed and pursued synthetically.

  8. Analytical interferences of mercuric chloride preservative in environmental water samples: Determination of organic compounds isolated by continuous liquid-liquid extraction or closed-loop stripping

    Science.gov (United States)

    Foreman, W.T.; Zaugg, S.D.; Falres, L.M.; Werner, M.G.; Leiker, T.J.; Rogerson, P.F.

    1992-01-01

    Analytical interferences were observed during the determination of organic compounds in groundwater samples preserved with mercuric chloride. The nature of the interference was different depending on the analytical isolation technique employed. (1) Water samples extracted with dichloromethane by continuous liquid-liquid extraction (CLLE) and analyzed by gas chromatography/mass spectrometry revealed a broad HgCl2 'peak' eluting over a 3-5-min span which interfered with the determination of coeluting organic analytes. Substitution of CLLE for separatory funnel extraction in EPA method 508 also resulted in analytical interferences from the use of HgCl2 preservative. (2) Mercuric chloride was purged, along with organic contaminants, during closed-loop stripping (CLS) of groundwater samples and absorbed onto the activated charcoal trap. Competitive sorption of the HgCl2 by the trap appeared to contribute to the observed poor recoveries for spiked organic contaminants. The HgCl2 was not displaced from the charcoal with the dichloromethane elution solvent and required strong nitric acid to achieve rapid, complete displacement. Similar competitive sorption mechanisms might also occur in other purge and trap methods when this preservative is used.

  9. Confirmation of synthetic glucocorticoids with liquid chromatography/mass spectrometry: Organization and results of an international interlaboratory comparison test

    NARCIS (Netherlands)

    Hauwe, O. van den; Campbell, K.; Crooks, S.R.H.; Schilt, R.; Peteghem, C.H. van

    2005-01-01

    Within the framework of a European Union (EU) research project entitled "Food Safety Screening: Synthetic Glucocorticoids (QLK1-1999-00122)," an international interlaboratory ring test was organized to compare and evaluate different liquid chromatography/mass spectrometry (LC/MS) confirmatory

  10. Chemically modified polymeric resins for separation of cations, organic acids, and small polar moleculea by high performance liquid chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Morris, John B. [Iowa State Univ., Ames, IA (United States)

    1993-07-01

    This thesis is divided into 4 parts: a review, ion chromatography of metal cations on carboxylic resins, separation of hydrophilic organic acids and small polar compounds on macroporous resin columns, and use of eluent modifiers for liquid chromatographic separation of carboxylic acids using conductivity detection.

  11. Spatiotemporal soil organic carbon dynamics in irrigated corn silage-alfalfa production systems receiving liquid dairy manure

    Science.gov (United States)

    Accurately measuring soil organic C (SOC) stock changes over time is essential for verifying agronomic management effects on C sequestration. This study quantified the spatial and temporal changes in SOC stocks on adjacent 65-ha corn silage-alfalfa production fields receiving liquid dairy manure in...

  12. Pretreatment of various feedstocks for lactic acid production: detection of sugars, organic acids and furanics in liquid fractions

    NARCIS (Netherlands)

    Harmsen, P.F.H.; Lips, S.J.J.; Bakker, R.R.C.

    2012-01-01

    Barley straw, sugarcane bagasse and empty fruit bunches were pretreated under acid- and alkaline conditions. Solid phase was separated from the liquid phase and the concentration of dissolved monomeric sugars, organic acids and furanics was determined. Acid hydrolysis yielded monomeric xylose

  13. Room-temperature solid phase ionic liquid (RTSPIL) coated Ω-transaminases: Development and application in organic solvents

    DEFF Research Database (Denmark)

    Grabner, B.; Nazario, M. A.; Gundersen, M. T.

    2018-01-01

    ω-Transaminases ATA-40, ATA-47 and ATA-82P were coated with room-temperature solid phase ionic liquids (RTSPILs) by means of three methods, melt coating, precipitation coating, and co‐lyophilization, and showed increased stability in all of the five tested organic solvents. Co‐lyophilization...

  14. Dispersive liquid-liquid microextraction based on the solidification of a floating organic droplet for simultaneous analysis of diethofencarb and pyrimethanil in apple pulp and peel.

    Science.gov (United States)

    Zhou, YiWen; Han, LinTao; Cheng, Jing; Guo, Feng; Zhi, XiaoRan; Hu, HaiLi; Chen, Gang

    2011-02-01

    A method for analysis of diethofencarb and pyrimethanil in apple pulp and peel was developed by using dispersive liquid-liquid microextraction based on solidification of a floating organic droplet (DLLME-SFO) and high-performance liquid chromatography with diode-array detection (HPLC-DAD). Acetonitrile was used as the solvent to extract the two fungicides from apple pulp and peel, assisted by microwave irradiation. When the extraction process was finished, the target analytes in the extraction solvent were rapidly transferred from the acetonitrile extract to another extraction solvent (1-undecanol) by using DLLME-SFO. Because of the lower density of 1-undecanol than that of water, the finely dispersed droplets of 1-undecanol collected on the top of aqueous sample and solidified at low temperature. Meanwhile, the tiny particles of apple cooled and precipitated. Recovery was tested for a concentration of 8 μg kg⁻¹. Recovery of diethofencarb and pyrimethanil from apple pulp and peel was in the range 83.5-101.3%. The repeatability of the method, expressed as relative standard deviation, varied between 4.8 and 8.3% (n = 6). Detection limits of the method for apple pulp and peel varied from 1.2-1.6 μg kg⁻¹ for the two fungicides. Compared with conventional sample preparation, the method has the advantage of rapid speed and simple operation, and has high enrichment factors and low consumption of organic solvent.

  15. Dispersive liquid-liquid microextraction based on solidification of floating organic droplet for the determination of triazine and triazoles in mineral water samples.

    Science.gov (United States)

    Bolzan, Cátia M; Caldas, Sergiane S; Guimarães, Bruno S; Primel, Ednei G

    2016-09-01

    A simple, rapid, and sensitive method for the determination of atrazine, simazine, cyproconazole, tebuconazole, and epoxiconazole in mineral water employing the dispersive liquid-liquid microextraction with solidification of a floating organic drop with determination by liquid chromatography tandem mass spectrometry has been developed. A mixed solution of 250 μL 1-dodecanol and 1250 μL methanol was injected rapidly into 10 mL aqueous solution (pH 7.0) with 2% w/v NaCl. After centrifugation for 5 min at 2000 rpm, the organic solvent droplets floated on the surface of the aqueous solution and the floating solvent solidified. The method limits of detection were between 3.75 and 37.5 ng/L and limits of quantification were between 12.5 and 125 ng/L. The recoveries ranged from 70 to 118% for repeatability and between 76 and 95% for intermediate precision with a relative standard deviation from 2 to 18% for all compounds. Low matrix effect was observed. The proposed method can be successfully applied in routine analysis for determination of pesticide residues in mineral water samples, allowing for monitoring of triazine and triazoles at levels below the regulatory limits set by international and national legislations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Determination and modeling of binary and ternary solid-liquid phase equilibrium for the systems formed by 1,8-dinitronaphthalene and 1,5-dinitronaphthalene and N-methyl-2-pyrrolidone

    International Nuclear Information System (INIS)

    Xie, Yong; Du, Cunbin; Cong, Yang; Wang, Jian; Han, Shuo; Zhao, Hongkun

    2016-01-01

    Highlights: • SLE formed by 1,5 and/or 1,8-dinitronaphthalene and NMP was determined. • The binary and ternary phase diagrams were constructed. • The phase diagrams were correlated and calculated using thermodynamic models. - Abstract: The solubility of 1,8-dinitronaphthalene and 1,5-dinitronaphthalene in N-methyl-2-pyrrolidone at (293.15–343.15) K and the mutual solubility of the ternary 1,5-dinitronaphthalene + 1,8-dinitronaphthalene + N-methyl-2-pyrrolidone mixture at (313.15, 328.15 and 343.15) K were determined experimentally using the isothermal saturation method under atmospheric pressure (101.2 kPa). The solubility of 1,8-dinitronaphthalene in N-methyl-2-pyrrolidone is larger than that of 1,5-dinitronaphthalene. Three isothermal ternary phase diagrams were built according to the measured mutual solubility data. In each ternary phase diagram, there were one co-saturated point, two boundary curves, and three crystalline regions. Two pure solids (pure 1,8-dinitronaphthalene and pure 1,5-dinitronaphthalene) were formed in the ternary system at a given temperature, which were identified by Schreinemaker’s method of wet residue and powder X-ray diffraction (PXRD) pattern. The crystallization region of 1,8-dinitronaphthalene was smaller than that of 1,5-dinitronaphthalene at each temperature. The modified Apelblat equation, λh equation, NRTL model and Wilson model were used to correlate the solubility of 1,8-dinitronaphthalene and 1,5-dinitronaphthalene in N-methyl-2-pyrrolidone; and the NRTL and Wilson models were employed to correlate and calculate the mutual solubility for the ternary 1,5-dinitronaphthalene + 1,8-dinitronaphthalene + N-methyl-2-pyrrolidone system. The largest value of root-mean-square deviation (RMSD) was 20.34 × 10 −4 for the binary systems; and 7.38 × 10 −3 for ternary system. The calculated results via these models are all acceptable for the binary and ternary solid-liquid phase equilibrium.

  17. Liquid Organic Hydrogen Carriers (LOHCs): Toward a Hydrogen-free Hydrogen Economy.

    Science.gov (United States)

    Preuster, Patrick; Papp, Christian; Wasserscheid, Peter

    2017-01-17

    The need to drastically reduce CO 2 emissions will lead to the transformation of our current, carbon-based energy system to a more sustainable, renewable-based one. In this process, hydrogen will gain increasing importance as secondary energy vector. Energy storage requirements on the TWh scale (to bridge extended times of low wind and sun harvest) and global logistics of renewable energy equivalents will create additional driving forces toward a future hydrogen economy. However, the nature of hydrogen requires dedicated infrastructures, and this has prevented so far the introduction of elemental hydrogen into the energy sector to a large extent. Recent scientific and technological progress in handling hydrogen in chemically bound form as liquid organic hydrogen carrier (LOHC) supports the technological vision that a future hydrogen economy may work without handling large amounts of elemental hydrogen. LOHC systems are composed of pairs of hydrogen-lean and hydrogen-rich organic compounds that store hydrogen by repeated catalytic hydrogenation and dehydrogenation cycles. While hydrogen handling in the form of LOHCs allows for using the existing infrastructure for fuels, it also builds on the existing public confidence in dealing with liquid energy carriers. In contrast to hydrogen storage by hydrogenation of gases, such as CO 2 or N 2 , hydrogen release from LOHC systems produces pure hydrogen after condensation of the high-boiling carrier compounds. This Account highlights the current state-of-the-art in hydrogen storage using LOHC systems. It first introduces fundamental aspects of a future hydrogen economy and derives therefrom requirements for suitable LOHC compounds. Molecular structures that have been successfully applied in the literature are presented, and their property profiles are discussed. Fundamental and applied aspects of the involved hydrogenation and dehydrogenation catalysis are discussed, characteristic differences for the catalytic conversion of

  18. Organic transistors making use of room temperature ionic liquids as gating medium

    Science.gov (United States)

    Hoyos, Jonathan Javier Sayago

    The ability to couple ionic and electronic transport in organic transistors, based on pi conjugated organic materials for the transistor channel, can be particularly interesting to achieve low voltage transistor operation, i.e. below 1 V. The operation voltage in typical organic transistors based on conventional dielectrics (200 nm thick SiO2) is commonly higher than 10 V. Electrolyte-gated (EG) transistors, i.e. employing an electrolyte as the gating medium, permit current modulations of several orders of magnitude at relatively low gate voltages thanks to the exceptionally high capacitance at the electrolyte/transistor channel interface, in turn due to the low thickness (ca. 3 nm) of the electrical double layers forming at the electrolyte/semiconductor interface. Electrolytes based on room temperature ionic liquids (RTILs) are promising in EG transistor applications for their high electrochemical stability and good ionic conductivity. The main motivation behind this work is to achieve low voltage operation in organic transistors by making use of RTILs as gating medium. First we demonstrate the importance of the gate electrode material in the EG transistor performance. The use of high surface area carbon gate electrodes limits undesirable electrochemical processes and renders unnecessary the presence of a reference electrode to monitor the channel potential. This was demonstrated using activated carbon as gate electrode, the electronic conducting polymer MEH-PPV, poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylene vinylene] channel material, and the ionic liquid [EMIM][TFSI] (1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide), as gating medium. Using high surface area gate electrodes resulted in sub-1 V operation and charge carrier mobilities of (1.0 +/- 0.5) x 10-2 cm2V -1s-1. A challenge in the field of EG transistors is to decrease their response time, a consequence of the slow ion redistribution in the transistor channel upon application of electric

  19. Simultaneous determination of organic acids and vitamin C in green beans by liquid chromatography.

    Science.gov (United States)

    Vazquez Oderiz, M L; Vazquez Blanco, M E; Lopez Hernandez, J; Simal Lozano, J; Romero Rodriguez, M A

    1994-01-01

    A method is described for determining and quantitating organic acids (oxalic, malic, citric, and fumaric) and vitamin C by liquid chromatography with a UV-visible detector that allows simultaneous monitoring at 2 wavelengths. The method was applied to samples of green beans (Phaseolus vulgaris L.). Recoveries were 97.8% for oxalic acid, 98.9% for malic acid, 98.7% for citric acid, 99.2% for fumaric acid, and 98.5% for vitamin C. Method precisions (coefficients of variation) were 1.7% for oxalic acid, 0.8% for malic acid, 0.9% for citric acid, 1.5% for fumaric acid, and 1.2% for vitamin C. Measurement precisions (coefficients of variation) were 1.32% for oxalic acid, 0.33% for malic acid, 0.62% for citric acid, 1.01% for fumaric acid, and 0.39% for vitamin C. Limits of detection were 0.025 mg/mL for oxalic acid, 0.022 mg/mL for malic acid, 0.024 mg/mL for citric acid, 1.0 x 10(-4) mg/mL for fumaric acid, and 2.7 x 10(-4) mg/mL for vitamin C.

  20. Ionic Liquid/Metal-Organic Framework Composites: From Synthesis to Applications.

    Science.gov (United States)

    Kinik, Fatma Pelin; Uzun, Alper; Keskin, Seda

    2017-07-21

    Metal-organic frameworks (MOFs) have been widely studied for different applications owing to their fascinating properties such as large surface areas, high porosities, tunable pore sizes, and acceptable thermal and chemical stabilities. Ionic liquids (ILs) have been recently incorporated into the pores of MOFs as cavity occupants to change the physicochemical properties and gas affinities of MOFs. Several recent studies have shown that IL/MOF composites show superior performances compared with pristine MOFs in various fields, such as gas storage, adsorption and membrane-based gas separation, catalysis, and ionic conductivity. In this review, we address the recent advances in syntheses of IL/MOF composites and provide a comprehensive overview of their applications. Opportunities and challenges of using IL/MOF composites in many applications are reviewed and the requirements for the utilization of these composite materials in real industrial processes are discussed to define the future directions in this field. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Touch sensors based on planar liquid crystal-gated-organic field-effect transistors

    International Nuclear Information System (INIS)

    Seo, Jooyeok; Lee, Chulyeon; Han, Hyemi; Lee, Sooyong; Nam, Sungho; Kim, Youngkyoo; Kim, Hwajeong; Lee, Joon-Hyung; Park, Soo-Young; Kang, Inn-Kyu

    2014-01-01

    We report a tactile touch sensor based on a planar liquid crystal-gated-organic field-effect transistor (LC-g-OFET) structure. The LC-g-OFET touch sensors were fabricated by forming the 10 μm thick LC layer (4-cyano-4 ′ -pentylbiphenyl - 5CB) on top of the 50 nm thick channel layer (poly(3-hexylthiophene) - P3HT) that is coated on the in-plane aligned drain/source/gate electrodes (indium-tin oxide - ITO). As an external physical stimulation to examine the tactile touch performance, a weak nitrogen flow (83.3 μl/s) was employed to stimulate the LC layer of the touch device. The LC-g-OFET device exhibited p-type transistor characteristics with a hole mobility of 1.5 cm 2 /Vs, but no sensing current by the nitrogen flow touch was measured at sufficiently high drain (V D ) and gate (V G ) voltages. However, a clear sensing current signal was detected at lower voltages, which was quite sensitive to the combination of V D and V G . The best voltage combination was V D = −0.2 V and V G = −1 V for the highest ratio of signal currents to base currents (i.e., signal-to-noise ratio). The change in the LC alignment upon the nitrogen flow touch was assigned as the mechanism for the present LC-g-OFET touch sensors

  2. Screening for crude oil degrading bacteria in liquid organic waste (effluent samples)

    International Nuclear Information System (INIS)

    Akpe, A.R.

    2014-01-01

    The screening for crude oil degrading bacteria in some liquid organic wastes (cassava mill effluents, rubber effluents and oil palm mill effluents) was carried out. Hydrocarbon utilising bacteria were isolated on mineral salt agar using vapour phase technique. The samples yielded 20 bacterial isolates from 13 different genera. Cassava mill effluent and rubber effluent had the highest number (7), while oil palm effluent had the least number (6) of bacterial isolates. The isolates that had the highest occurrence (occurring in all samples) were Pseudomonas aeruginosa and Escherichia coli. Of these 13 genera 9 were gram negative, while only 4 were gram positive. The total heterotrophic bacterial (THB) count and total hydrocarbon utilisers (THU) from all the effluent samples ranged from 3.0 * 10/sup 4/ to 6.0* 10/sup 7/ cfu/mL and 2.3 *10/sup 2/ to 4.2*10/sup 3/ cfu/mL, respectively. The counts of hydrocarbon utilisers were obviously lower than the heterotrophic counts, although the differences in counts were found to be statistically non-significant (P > 0.05). Rubber effluents and oil palm mill effluents had the highest number of hydrocarbon utilisers with three isolates each. The active hydrocarbon utilisers encountered in this study included Serratia marscescens, Bacillus cereus, P. aeruginosa, Enterobacter aerogenes and Bacillus subtilis. Presence of nutrients and crude oil degrading bacteria in these effluents suggests that these effluents can be used to enhance bioremediation through their use as biostimulation and bioaugmentation agents. (author)

  3. Posaconazole liquid suspension in solid organ transplant recipients previously treated with voriconazole.

    Science.gov (United States)

    Shoham, S; Ostrander, D; Marr, K

    2015-06-01

    Posaconazole (PCZ) has become an attractive alternative to voriconazole (VCZ) in transplant recipients with suspected or proven invasive filamentous fungal infections, causing fewer drug interactions. Here, we describe our experience with PCZ after VCZ in solid organ transplant (SOT) recipients. VCZ was replaced by PCZ liquid solution in 19 SOT recipients (15 lung, 2 kidney, 1 liver, and 1 heart/lung) with invasive pulmonary aspergillosis (12/19; 63.2%), possible invasive pulmonary fungal infection (2/19; 10.5%), prophylaxis (2/19; 10.5%), or pulmonary scedosporiosis, mucormycosis, and mixed fungal species (1 each). Rationales for switch were suspected adverse reactions to VCZ (17/19; 89.4%) and desire to broaden spectrum of coverage to include agents of mucormycosis (3/19; 15.8%). PCZ was well tolerated in all patients. In those patients with baseline liver enzyme abnormalities, a median change occurred in concentrations of alanine transaminase (-20 IU/L), aspartate aminotransferase (-17.5 IU/L), and alkaline phosphatase (-61.5 IU/L). Clinical success (resolution, stabilization, or prevention of infection) was achieved in 16/19 (84%) people. PCZ appears to have a reasonable safety and tolerability profile and may be an effective alternative in SOT patients who require an agent with anti-mold activity, but are unable to tolerate VCZ. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  4. Model Catalytic Studies of Novel Liquid Organic Hydrogen Carriers: Indole, Indoline and Octahydroindole on Pt(111).

    Science.gov (United States)

    Schwarz, Matthias; Bachmann, Philipp; Silva, Thais Nascimento; Mohr, Susanne; Scheuermeyer, Marlene; Späth, Florian; Bauer, Udo; Düll, Fabian; Steinhauer, Johann; Hohner, Chantal; Döpper, Tibor; Noei, Heshmat; Stierle, Andreas; Papp, Christian; Steinrück, H-P; Wasserscheid, Peter; Görling, Andreas; Libuda, Jörg

    2017-10-20

    Indole derivatives were recently proposed as potential liquid organic hydrogen carriers (LOHC) for storage of renewable energies. In this work, we have investigated the adsorption, dehydrogenation and degradation mechanisms in the indole/indoline/octahydroindole system on Pt(111). We have combined infrared reflection absorption spectroscopy (IRAS), X-ray photoelectron spectroscopy (XPS) and DFT calculations. Indole multilayers show a crystallization transition at 200 K, in which the molecules adopt a strongly tilted orientation, before the multilayer desorbs at 220 K. For indoline, a less pronounced restructuring transition occurs at 150 K and multilayer desorption is observed at 200 K. Octahydroindole multilayers desorb already at 185 K, without any indication for restructuring. Adsorbed monolayers of all three compounds are stable up to room temperature and undergo deprotonation at the NH bond above 300 K. For indoline, the reaction is followed by partial dehydrogenation at the 5-membered ring, leading to the formation of a flat-lying di-σ-indolide in the temperature range from 330-390 K. Noteworthy, the same surface intermediate is formed from indole. In contrast, the reaction of octahydroindole with Pt(111) leads to the formation of a different intermediate, which originates from partial dehydrogenation of the 6-membered ring. Above 390 K, all three compounds again form the same strongly dehydrogenated and partially decomposed surface species. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Effect of SO 2 on CO 2 Capture Using Liquid-like Nanoparticle Organic Hybrid Materials

    KAUST Repository

    Lin, Kun-Yi Andrew

    2013-08-15

    Liquid-like nanoparticle organic hybrid materials (NOHMs), consisting of silica nanoparticles with a grafted polymeric canopy, were synthesized. Previous work on NOHMs has revealed that CO2 capture behaviors in these hybrid materials can be tuned by modifying the structure of the polymeric canopy. Because SO2, which is another acidic gas found in flue gas, would also interact with NOHMs, this study was designed to investigate its effect on CO2 capture in NOHMs. In particular, CO2 capture capacities as well as swelling and CO2 packing behaviors of NOHMs were analyzed using thermogravimetric analyses and Raman and attenuated total reflectance (ATR) Fourier transform infrared (FTIR) spectroscopies before and after exposure of NOHMs to SO2. It was found that the SO2 absorption in NOHMs was only prominent at high SO2 levels (i.e., 3010 ppm; Ptot = 0.4 MPa) far exceeding the typical SO2 concentration in flue gas. As expected, the competitive absorption between SO2 and CO2 for the same absorption sites (i.e., ether and amine groups) resulted in a decreased CO2 capture capacity of NOHMs. The swelling of NOHMs was not notably affected by the presence of SO 2 within the given concentration range (Ptot = 0-0.68 MPa). On the other hand, SO2, owing to its Lewis acidic nature, interacted with the ether groups of the polymeric canopy and, thus, changed the CO2 packing behaviors in NOHMs. © 2013 American Chemical Society.

  6. Effect of cationic surfactants on organic liquid-water capillary pressure-saturation relationships

    Science.gov (United States)

    Demond, A. H.; Desai, F. N.; Hayes, K. F.

    1994-02-01

    Many solutes, either naturally occurring or introduced, are surface active and sorb preferentially at the interfaces of subsurface systems. In multiphase systems, the sorption of surfactants affects the capillary pressure-saturation relationships, fundamental constitutive relationships in the modeling of multiphase flow. In this study, the impact of surfactant sorption on capillary pressure relationships for organic liquid-waters systems was demonstrated by qualitatively correlating measurements of sorption and zeta potential, with interfacial tension and contact angle and, in turn, quantitatively relating these measurements to changes in capillary pressure-saturation relationships for o-xylene-water-quartz systems containing a cationic surfactant, cetyltrimethylammonium bromide (CTAB). The results show that the sorption of CTAB causes the naturally hydrophilic system to become hydrophobic, as evidenced by a change in the contact angle from about 10°-15° to 155° or 180°, depending on the pH. This change in hydrophilicity is reflected in the zeta potential of the system which goes from negative to positive as the aqueous phase CTAB concentration increases. The spontaneous imbibition capillary pressure-saturation relationship is more sensitive to the sorption of CTAB than the drainage relationship. To predict the observed changes in both capillary pressure-saturation relationships, a modified form of Leverett's function was used where roughness and curvature corrections were incorporated into the intrinsic contact angle to give an operational contact angle. A comparison of the measured and predicted capillary pressure-saturation relationships showed reasonable agreement.

  7. Laser fragmentation of organic microparticles into colloidal nanoparticles in a free liquid jet

    Science.gov (United States)

    Wagener, Philipp; Barcikowski, Stephan

    2010-11-01

    We present a novel approach for laser fragmentation of melamine cyanurate microcrystals suspended in liquid into colloidal nanoparticles. Laser fragmentation is done by irradiating a liquid jet of melamine cyanurate suspended in water with intense picosecond pulses. The free liquid jet is generated by a nozzle with small diameter and provides a thin liquid filament ( d fildextrin as a neutral polymer and 0.01 wt% polyacrylic acid as a polyelectrolytic polymer. Hydrodynamic size and zeta-potential of the nanoparticles can be controlled by mass fraction of the stabilization agent.

  8. Dispersive liquid-liquid microextraction with solidification of floating organic droplets for simultaneous extraction of pesticides, pharmaceuticals and personal care products

    International Nuclear Information System (INIS)

    Marube, Liziane Cardoso; Caldas, Sergiane Souza; Soares, Karina Lotz; Primel, Ednei Gilberto

    2015-01-01

    Dispersive liquid-liquid microextraction based on solidification of floating organic droplets (DLLME-SFO) has been applied to the extraction of pharmaceutical and personal care products (PPCPs) and pesticides from water samples. The PPCPs included bisphenol A, sodium diclofenac, gemfibrozil, furosemide, glibenclamide, nifedipine, nimesulide, propylparaben and triclocarban. The pesticides included 2,4-D, atrazine, azoxystrobin, cyproconazole, clomazone, dichloran, difenoconazole, diuron, epoxiconazole, fenoxaprop-p-ethyl, fipronil, iprodione, irgarol, propanil, propiconazole, tebuconazole, and trifloxystrobin. The type and volume of extraction solvent, type and volume of disperser solvent, ionic strength and pH were optimized. All species were then quantified by liquid chromatography tandem mass spectrometry (LC-MS/MS). The limits of quantification (LOQs) ranged from 50 to 500 ng L −1 , and the linearity ranged from the LOQ of each compound up to 10,000 ng L −1 . Recoveries ranged from 63 to 120 %, with relative standard deviations lower than 14 %. It is making use of a low-toxicity and affordable extraction solvent (1-dodecanol) and was successfully applied to the analysis of surface water samples. (author)

  9. Solid-phase extraction assisted dispersive liquid-liquid microextraction based on solidification of floating organic droplet to determine sildenafil and its analogues in dietary supplements.

    Science.gov (United States)

    Li, Jing; Roh, Si Hun; Shaodong, Jia; Hong, Ji Yeon; Lee, Dong-Kyu; Shin, Byong-Kyu; Park, Jeong Hill; Lee, Jeongmi; Kwon, Sung Won

    2017-08-01

    A novel analytical method for the simultaneous determination of the concentration of sildenafil and its five analogues in dietary supplements using solid-phase extraction assisted reversed-phase dispersive liquid-liquid microextraction based on solidification of floating organic droplet combined with ion-pairing liquid chromatography with an ultraviolet detector was developed. Parameters that affect extraction efficiency were systematically investigated, including the type of solid-phase extraction cartridge, pH of the extraction environment, and the type and volume of extraction and dispersive solvent. The method linearity was in the range of 5.0-100 ng/mL for sildenafil, homosildenafil, udenafil, benzylsildenafil, and thiosildenafil and 10-100 ng/mL for acetildenafil. The coefficients of determination were ≥0.996 for all regression curves. The sensitivity values expressed as limit of detection were between 2.5 and 7.5 ng/mL. Furthermore, intraday and interday precisions expressed as relative standard deviations were less than 5.7 and 9.9%, respectively. The proposed method was successfully applied to the analysis of sildenafil and its five analogues in complex dietary supplements. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Compressed liquid densities and excess molar volumes for (CO{sub 2} + 1-pentanol) binary system at temperatures from 313 to 363 K and pressures up to 25 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Zuniga-Moreno, Abel [Instituto Politecnico Nacional, ESIQIE, Laboratorio de Termodinamica, Edif. Z, Secc. 6, 1er piso, UPALM Zacatenco, 07738, Lindavista, Mexico, D.F. (Mexico); Galicia-Luna, Luis A. [Instituto Politecnico Nacional, ESIQIE, Laboratorio de Termodinamica, Edif. Z, Secc. 6, 1er piso, UPALM Zacatenco, 07738, Lindavista, Mexico, D.F. (Mexico)], E-mail: lgalicial@ipn.mx; Sandler, Stanley I. [Department of Chemical Engineering, University of Delaware, Newark, DE 19716-3119 (United States)

    2008-02-15

    Measurements of compressed liquid densities for 1-pentanol and for {l_brace}CO{sub 2} (1) + 1-pentanol (2){r_brace} system were carried out at temperatures from 313 K to 363 K and pressures up to 25 MPa. Densities were measured for binary mixtures at 10 different compositions, x{sub 1} = 0.0816, 0.1347, 0.3624, 0.4651, 0.6054, 0.7274, 0.8067, 0.8573, 0.9216, and 0.9757. A vibrating tube densimeter was used to perform density measurements using two reference calibration fluids. The uncertainty is estimated to be better than {+-}0.2 kg . m{sup -3} for the experimental density measurements. For each mixture and for 1-pentanol, the experimental densities were correlated using an explicit volume equation of six parameters and an 11-parameter equation of state (EoS). Excess molar volumes were determined for the (CO{sub 2} + 1-pentanol) system using 1-pentanol densities calculated from the 11-parameter EoS and CO{sub 2} densities calculated from a multiparameter reference EoS.

  11. Microwave-assisted steam distillation with simultaneous liquid/liquid extraction of pentachlorophenol from organic wastes and soils.

    Science.gov (United States)

    Düring, Rolf-Alexander; Zhang, Xiaolei; Hummel, Hans E; Czynski, Janusz; Gäth, Stefan

    2003-02-01

    An efficient method for extracting pentachlorophenol (PCP) from organic solid matrices and soils using direct excitation of the fresh samples by microwave energy is presented. Steam-volatile PCP partitioned into the organic solvent n-hexane within the closed extraction vessel, resulting in recovery rates of 85-92% from aged samples. Condensed water provided a boundary layer between extract and sample thus preventing any contact of PCP with and re-partitioning into the sample. Duration of the microwave-assisted process was 35 min. Crude extracts were derivatized by heptafluorobutyric anhydride (HFBA) to improve selectivity and sensitivity resulting in detection limits of 1-2 micro g kg(-1). GC-MS/MS analyses proved that suitable extracts with only minor impurities were obtained. Common sample treatment steps like drying, thorough grinding, frequent transferring, and tedious clean-up, and concentration procedures which all can cause certain losses of analyte were minimized. The efficiency of the method was verified by comparison with an established ultrasonic extraction procedure. This microwave-assisted pressurized steam distillation with simultaneous partition into an organic phase thus provides a streamlined and efficient strategy which requires no additional investment in standard equipment for microwave-assisted extractions (MAE). Degradation of analytes at longer extraction times must be taken into account.

  12. Diffusivity measurements in some organic solvents by a gas-liquid diaphragm cell

    NARCIS (Netherlands)

    Littel, R.J.; Littel, R.J.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1992-01-01

    A diaphragm cell has been developed for the measurement of diffusion coefficients of gases In liquids. The diaphragm cell is operated batchwise with respect to both gas and liquid phases, and the diffusion process Is followed by means of the gas pressure decrease which is recorded by means of a

  13. Diffusivity Measurements in Some Organic Solvents by a Gas-Liquid Diaphragm Cell

    NARCIS (Netherlands)

    Littel, Rob J.; Versteeg, Geert F.; Swaaij, Wim P.M. van

    1992-01-01

    A diaphragm cell has been developed for the measurement of diffusion coefficients of gases in liquids. The diaphragm cell is operated batchwise with respect to both gas and liquid phases, and the diffusion process is followed by means of the gas pressure decrease which is recorded by means of a

  14. Production of 15N-Labelled Liquid Organic Fertilisers Based on Manure and Crop Residue for Use in Fertigation Studies.

    Science.gov (United States)

    Martínez-Alcántara, Belén; Martínez-Cuenca, Mary-Rus; Fernández, Carlos; Legaz, Francisco; Quiñones, Ana

    2016-01-01

    Large quantities of crop residue and animal manure from agricultural and livestock activities are annually produced worldwide. With proper management, these residues are potentially valuable sources of plant nutrients, mainly N. Recycling such subproducts in sustainably-based agricultural systems can minimise the use of mineral fertilisers, and hence reduce the potential risk of surface and groundwater pollution. Therefore, the purpose of this study was to obtain (small scale) two liquid labelled-organic fertilisers, an animal- and a vegetal-based organic (AO and VO, respectively) fertiliser, to be used as organic N sources in subsequent fertigation studies. Forage maize (Zea mays L.) grown under 15N-labelled fertiliser supply was used as raw material for VO fertiliser production, and also as 15N-labelled sheep feed to obtain 15N-labelled manure. The labelled faeces fraction was used as raw material for the AO fertiliser. The VO fertiliser was obtained after an acidic and an enzyme-driven hydrolysis. The AO fertiliser was obtained after acidic hydrolysis. The VO liquid fertiliser presented an N concentration of 330 mg·L-1, 85% of total N was organic, while ammonium and nitrate N accounted for 55% and 45% of the mineral nitrogen fraction, respectively. This fertiliser also exhibited high K, Ca and S concentrations and notable values for the remaining macro- and micronutrients. The AO liquid fertiliser had a similar total N concentration (496 mg·L-1, 82% of total N in an organic form) to that of VO, but its mineral N fraction significantly differed, which came in a predominantly (95%) ammonia form. It also had a high content of N, P, K and other macronutrients, and sufficient Fe, Zn, Mn, Cu and B levels, which suggests its suitability as a potential fertiliser. The percentage of 15N enrichment in both VO and AO liquid fertilisers exceeded 2% 15N atom excess, which enabled their use in subsequent assays run to assess nitrogen uptake efficiency.

  15. A liquid organic carrier of hydrogen as a fuel for automobiles

    International Nuclear Information System (INIS)

    Taube, M.; Taube, P.

    1979-09-01

    A system of storing energy in a hydrogen containing fuel for the motor car is discussed. The recyclable liquid chemical carrier is: (Methylcyclohexane (liquid)) dehydrogenation (Toluene (liquid)) + (hydrogen (gas)). The reverse reaction, the hydrogenation of toluene, occurs in a regional plant connected to a source of hydrogen (electrolysis of water) with a significant by-product being heat at 200 0 C for district heating. The system is able to store hydrogen in liquid form under ambient temperature and pressure even in a small motor car. The concentration of hydrogen is 6.1 % by weight. The release of gaseous hydrogen from the liquid methylcyclohexane needs a chemical catalytic reactor having a temperature of 300 0 C and a pressure of some bars. This reaction has been well studied. The thermal energy for the dehydrogenation is taken from the exhaust gases at 780 0 C. A layout of the most important processes of the system is given. (Auth.)

  16. Liquid phase epitaxy of binary III–V nanocrystals in thin Si layers triggered by ion implantation and flash lamp annealing

    Energy Technology Data Exchange (ETDEWEB)

    Wutzler, Rene, E-mail: r.wutzler@hzdr.de; Rebohle, Lars; Prucnal, Slawomir; Bregolin, Felipe L.; Hübner, Rene; Voelskow, Matthias; Helm, Manfred; Skorupa, Wolfgang [Helmholtz-Zentrum Dresden - Rossendorf, Institute of Ion Beam Physics and Materials Research, Bautzner Landstraße 400, 01328 Dresden (Germany)

    2015-05-07

    The integration of III–V compound semiconductors in Si is a crucial step towards faster and smaller devices in future technologies. In this work, we investigate the formation process of III–V compound semiconductor nanocrystals, namely, GaAs, GaSb, and InP, by ion implantation and sub-second flash lamp annealing in a SiO{sub 2}/Si/SiO{sub 2} layer stack on Si grown by plasma-enhanced chemical vapor deposition. Raman spectroscopy, Rutherford Backscattering spectrometry, and transmission electron microscopy were performed to identify the structural and optical properties of these structures. Raman spectra of the nanocomposites show typical phonon modes of the compound semiconductors. The formation process of the III–V compounds is found to be based on liquid phase epitaxy, and the model is extended to the case of an amorphous matrix without an epitaxial template from a Si substrate. It is shown that the particular segregation and diffusion coefficients of the implanted group-III and group-V ions in molten Si significantly determine the final appearance of the nanostructure and thus their suitability for potential applications.

  17. Fertilization with liquid digestate in organic farming - effects on humus balance, soil potassium contents and soil physical properties

    Science.gov (United States)

    Erhart, Eva; Siegl, Thomas; Bonell, Marion; Unterfrauner, Hans; Peticzka, Robert; Ableidinger, Christoph; Haas, Dieter; Hartl, Wilfried

    2014-05-01

    Biogas production and use of liquid digestate are subject of controversial discussion in organic farming. Using biomass from intercrops as feedstock for biogas production makes it possible to produce renewable energy without compromising food production. With liquid digestate, crops can be fertilized in a more targeted way than by incorporating intercrop biomass into the soil. For long-term sustainability in organic farming, however, this practice must not have adverse effects on soil fertility. In order to assess the effects of fertilization with liquid digestate on soil fertility, two randomised field experiments were conducted for two years on different soil types near Bruck/Leitha (Lower Austria). One experiment was set up on a calcareous chernozem with 4 % humus content, the other on a parachernozem with pH 5.9 and 2.1 % humus. Soil potassium content, both in the water-soluble fraction and in the exchangeable fraction, increased significantly at both sites. As fertilization with liquid digestate exceeded the potassium requirements of the crops by far, the proportion of potassium of the exchangeable cations increased rapidly. Soil physical properties were not influenced by digestate fertilization on the chernozem site. On the parachernozem, aggregate stability was increased by the organic matter applied via digestate. On this acidic site low in humus content, the supply of 4 t/ha organic matter, which featured a lignin content of 37 % and was relatively resistant to decomposition, had a clearly positive impact on soil physical properties. Humus balances were computed both with the 'Humuseinheiten'-method and with the site-adapted method STAND. They were calculated on the basis of equal amounts of intercrop biomass either left on the field as green manure or used for biogas production and the resulting amount of liquid digestate brought back to the field. The humus balances indicated that the humus-efficacy of the liquid digestate was equal to slightly higher

  18. Investigation of a Particle into Liquid Sampler to Study the Formation & Ageing of Secondary Organic Aerosol

    Science.gov (United States)

    Pereira, K. L.; Hamilton, J. F.; Rickard, A. R.; Bloss, W. J.; Alam, M. S.; Camredon, M.; Munoz, A.; Vazquez, M.; Rodenas, M.; Vera, T.; Borrás, E.

    2012-12-01

    The atmospheric oxidation of Volatile Organic Compounds (VOCs) in the presence of NOx results in the formation of tropospheric ozone and Secondary Organic Aerosol (SOA) [Hallquist et al., 2009]. Whilst SOA is known to affect both climate and human health, the VOC oxidation pathways leading to SOA formation are poorly understood [Solomon et al., 2007]. This is in part due to the vast number and the low concentration of SOA species present in the ambient atmosphere. It has been estimated as many as 10,000 to 100,000 VOCs have been detected in the atmosphere, all of which can undergo photo-chemical oxidation and contribute to SOA formation [Goldstein and Galbally, 2007]. Atmospheric simulation chambers such as the EUropean PHOtoREactor (EUPHORE) in Valencia, Spain, are often used to study SOA formation from a single VOC precursor under controlled conditions. SOA composition and formation can be studied using online techniques such as Aerosol Mass Spectrometry (AMS), which provide high time resolution but limited structural information [Zhang et al., 2007]. Offline techniques, such as collection onto filters, extraction and subsequent analysis, provide detailed SOA composition but only usually one or two samples per experiment. In this work we report time resolved SOA composition analysis using a Particle into Liquid Sampler (PILS) followed by Liquid Chromatography Ion-Trap Mass Spectrometry (LC-IT-MS/MS) and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS/MS). Experiments were performed at EUPHORE investigating the formation and composition of Methyl Chavicol SOA. Methyl Chavicol (also known as Estragole) was identified as the highest floral emission from an oil palm plantation in Malaysian Borneo and has also been observed in US pine forests [Bouvier-Brown et al., 2009; Misztal et al., 2010]. Previous studies indicate a high SOA yield from Methyl Chavicol at around 40 % [Lee et al., 2006], however currently there have been very few literature

  19. Thermal property prediction and measurement of organic phase change materials in the liquid phase near the melting point

    International Nuclear Information System (INIS)

    O’Connor, William E.; Warzoha, Ronald; Weigand, Rebecca; Fleischer, Amy S.; Wemhoff, Aaron P.

    2014-01-01

    Highlights: • Liquid-phase thermal properties for five phase change materials were estimated. • Various liquid phase and phase transition thermal properties were measured. • The thermal diffusivity was found using a best path to prediction approach. • The thermal diffusivity predictive method shows 15% agreement for organic PCMs. - Abstract: Organic phase change materials (PCMs) are a popular choice for many thermal energy storage applications including solar energy, building envelope thermal barriers, and passive cooling of portable electronics. Since the extent of phase change during a heating or cooling process is dependent upon rapid thermal penetration into the PCM, accurate knowledge of the thermal diffusivity of the PCM in both solid and liquid phases is crucial. This study addresses the existing gaps in information for liquid-phase PCM properties by examining an approach that determines the best path to prediction (BPP) for the thermal diffusivity of both alkanes and unsaturated acids. Knowledge of the BPP will enable researchers to explore the influence of PCM molecular structure on bulk thermophysical properties, thereby allowing the fabrication of optimized PCMs. The BPP method determines which of the tens of thousands of combinations of 22 different available theoretical techniques provides best agreement with thermal diffusivity values based on reported or measured density, heat capacity, and thermal conductivity for each of five PCMs (heneicosane, tricosane, tetracosane, oleic acid, and linoleic acid) in the liquid phase near the melting point. Separate BPPs were calibrated for alkanes based on heneicosane and tetracosane, and for the unsaturated acids. The alkane and unsaturated acid BPPs were then tested on a variety of similar materials, showing agreement with reported/measured thermal diffusivity within ∼15% for all materials. The alkane BPP was then applied to find that increasing the length of alkane chains decreases the PCM thermal

  20. The Application Of Liquid Fertilizer Made Of Traditional Market Organic Wastes On Growth Of Setaria Grass (Setaria splendida Stapf)

    Science.gov (United States)

    Hendarto, Eko; Suwarno

    2018-02-01

    There are hugh amount of traditional market organic wastes that may polute the environment. In general, the wastes are utilized for compost making and liquid fertilizer as well for plant. The use of liquid fertilizer from organic wastes of traditional markets opens up opportunities for misplaced cultivation of Setaria grass (Setaria splendida Stapf), which is required by ruminant farms. This research was conducted to evaluate the best mixture of water to the fertilizer in term of its effectiveness on the variables and experimental method using Completely Randomized Design. The treatments were: 6 doses of mixtures namely 0, 10, 20, 30, 40 and 50 liters of water, each of which was mixed with 10 liters of liquid fertilizer. The variables measured were the height, the numbers of tillers, the numbers of leaves, and canopy. The results of the study showed that the doses of water in the fertilizer did not indicate any significant differences (P > 0.05) on all variables being studied, however, the linear equation showed that greater concentrations of water in the fertilizer tended to decrease the growth of Setaria grass. Suggested use of water on the liquid fertilizer mixture should be not greater than 30 l - 10 l fertilizer.

  1. The Application Of Liquid Fertilizer Made Of Traditional Market Organic Wastes On Growth Of Setaria Grass (Setaria splendida Stapf

    Directory of Open Access Journals (Sweden)

    Hendarto Eko

    2018-01-01

    Full Text Available There are hugh amount of traditional market organic wastes that may polute the environment. In general, the wastes are utilized for compost making and liquid fertilizer as well for plant. The use of liquid fertilizer from organic wastes of traditional markets opens up opportunities for misplaced cultivation of Setaria grass (Setaria splendida Stapf, which is required by ruminant farms. This research was conducted to evaluate the best mixture of water to the fertilizer in term of its effectiveness on the variables and experimental method using Completely Randomized Design. The treatments were: 6 doses of mixtures namely 0, 10, 20, 30, 40 and 50 liters of water, each of which was mixed with 10 liters of liquid fertilizer. The variables measured were the height, the numbers of tillers, the numbers of leaves, and canopy. The results of the study showed that the doses of water in the fertilizer did not indicate any significant differences (P > 0.05 on all variables being studied, however, the linear equation showed that greater concentrations of water in the fertilizer tended to decrease the growth of Setaria grass. Suggested use of water on the liquid fertilizer mixture should be not greater than 30 l – 10 l fertilizer.

  2. Spectrophotometric determination of uranium with arsenazo previous liquid-liquid extraction and colour development in organic medium

    International Nuclear Information System (INIS)

    Palomares Delgado, F.; Vera Palomino, J.; Petrement Eguiluz, J. C.

    1964-01-01

    The determination of uranium with arsenazo is hindered by a great number of cation which form stable complexes with the reactive and may given rise to serious interferences. By studying the optimum conditions of uranium the extraction be means of tributylphosphate solutions dissolved in methylisobuthylketone, under conditions for previous masking of the interfering cations, an organic extract was obtained containing all the uranium together with small amounts of iron. The possible interference derived from the latter element is avoided by reduction with hydroxylammoniumchlorid followed by complex formation of the Fe(II)-ortophenantroline compound in alcoholic medium. (Author) 17 refs

  3. Phase relations in the system NaCl-KCl-H2O: IV. Differential thermal analysis of the sylvite liquidus in the KCl-H2O binary, the liquidus in the NaCl-KCl-H2O ternary, and the solidus in the NaCl-KCl binary to 2 kb pressure, and a summary of experimental data for thermodynamic-PTX analysis of solid-liquid equilibria at elevated P-T conditions

    Science.gov (United States)

    Chou, I.-Ming; Sterner, S.M.; Pitzer, Kenneth S.

    1992-01-01

    The sylvite liquidus in the binary system KCl-H2O and the liquidus in the ternary system NaCl-KCl-H2O were determined by using isobaric differential thermal analysis (DTA) cooling scans at pressures up to 2 kbars. Sylvite solubilities along the three-phase curve in the binary system KCl-H2O were obtained by the intersection of sylvite-liquidus isopleths with the three-phase curve in a P-T plot. These solubility data can be represented by the equation Wt.% KCl (??0.2) = 12.19 + 0.1557T - 5.4071 ?? 10-5 T2, where 400 ??? T ??? 770??C. These data are consistent with previous experimental observations. The solidus in the binary system NaCl-KCl was determined by using isobaric DTA heating scans at pressures up to 2 kbars. Using these liquidus and solidus data and other published information, a thermodynamic-PTX analysis of solid-liquid equilibria at high pressures and temperatures for the ternary system has been performed and is presented in an accompanying paper (Part V of this series). However, all experimental liquidus, solidus, and solvus data used in this analysis are summarized in this report (Part IV) and they are compared with the calculated values based on the analysis. ?? 1992.

  4. Research note : Miscibility behaviour of binary mixtures of benzyl ...

    African Journals Online (AJOL)

    Miscibility of binary mixtures of benzyl benzoate and liquid paraffin as functions of temperature and composition has been determined using phase separation method. The binary mixtures demonstrated a critical (upper) solution temperature of 35 °C at 101325 Nm-2 with a mixing gap. A tie-line drawn at 28 °C across the ...

  5. Excess molar volumes and isentropic compressibilities of binary ...

    Indian Academy of Sciences (India)

    Excess molar volumes (E) and deviation in isentropic compressibilities (s) have been investigated from the density and speed of sound measurements of six binary liquid mixtures containing -alkanes over the entire range of composition at 298.15 K. Excess molar volume exhibits inversion in sign in one binary ...

  6. Liquid-drop technique for generation of organic glass and metal shells

    International Nuclear Information System (INIS)

    Hendricks, C.D.

    1981-01-01

    We have for several years utilized the technique of capillary wave synchronization of the break-up of single and multiple component jets to produce uniform sized liquid drops and solid particles, and hollow liquid and solid shells. The technique has also been used to encapsulate a number of liquids in impermeable spherical shells. Highly uniform glass shells have been made by generating uniform drops of glass forming materials in an aqueous solution, subsequently evaporating the water, and then fusing and blowing the remaining solids in a high temperature vertical tube furnace. Experimental results will be presented and the critical problems in further research in this field will be discussed

  7. Sorption of Organic Liquids in Poly(ethylene chlorotrifluoroethylene) Halar®901: Experimental and Theoretical Analysis.

    Czech Academy of Sciences Publication Activity Database

    Randová, A.; Bartovská, L.; Pilnáček, Kryštof; Lanč, M.; Vopička, O.; Matějka, P.; Izák, Pavel; Kárászová, Magda; Macedonio, F.; Figoli, A.; Drioli, E.; Jansen, J.C.; Di Nicolò, E.; Friess, K.

    2017-01-01

    Roč. 58, APR 1 (2017), s. 199-207 ISSN 0142-9418 R&D Projects: GA MŠk(CZ) LD14094 Institutional support: RVO:67985858 Keywords : organic liquid sorption * poly(ethylene chlorotrifluoroethylene) Halar®901 * sorption-predictive methods Subject RIV: CI - Industrial Chemistry, Chemical Engineering OBOR OECD: Chemical process engineering Impact factor: 2.464, year: 2016

  8. Application of the Monte Carlo method to the study of the response of an organic liquid scintillator irradiated by photons

    International Nuclear Information System (INIS)

    Dupre, Corinne.

    1982-10-01

    The Monte Carlo method was applied to simulate the transport of a photon beam in an organic liquid scintillation detector. The interactions of secondary gamma rays and electrons with the detector and its peripheral materials components such as the pyrex glass container are included. The pulse height spectra and the detectors efficiency are compared with calculated and measured results. Calculations and programmation methods are presented in the same way as results concerning cobalt and cesium sources [fr

  9. Solving a binary puzzle

    NARCIS (Netherlands)

    P.H. Utomo (Putranto); R.H. Makarim (Rusydi)

    2017-01-01

    textabstractA Binary puzzle is a Sudoku-like puzzle with values in each cell taken from the set (Formula presented.). Let (Formula presented.) be an even integer, a solved binary puzzle is an (Formula presented.) binary array that satisfies the following conditions: (1) no three consecutive ones and

  10. Eclipsing binaries in open clusters

    DEFF Research Database (Denmark)

    Southworth, John; Clausen, J.V.

    2006-01-01

    Stars: fundamental parameters - Stars : binaries : eclipsing - Stars: Binaries: spectroscopic - Open clusters and ass. : general Udgivelsesdato: 5 August......Stars: fundamental parameters - Stars : binaries : eclipsing - Stars: Binaries: spectroscopic - Open clusters and ass. : general Udgivelsesdato: 5 August...

  11. (Vapour + liquid) equilibrium of binary mixtures (1,3-dioxolane or 1,4-dioxane + 2-methyl-1-propanol or 2-methyl-2-propanol) at isobaric conditions[(Vapour+liquid) equilibrium; Cyclic ethers; Butanols; ASOG; UNIFAC

    Energy Technology Data Exchange (ETDEWEB)

    Reyes, Antonio; Lafuente, Carlos; Minones, Jose; Kragl, Udo; Royo, Felix M. E-mail: femer@posta.unizar.es

    2004-02-01

    Isobaric (vapour + liquid) equilibrium of (1,3-dioxolane or 1,4-dioxane + 2-methyl-1-propanol or 2-methyl-2-propanol) at 40.0 kPa and 101.3 kPa has been studied with a dynamic recirculating still. The experimental VLE data are thermodynamically consistent. From these data, activity coefficients were calculated and correlated with the Margules, van Laar, Wilson, NRTL and UNIQUAC equations. The VLE results have been compared with the predictions by the UNIFAC and ASOG methods.

  12. A complementary organic inverter of porphyrazine thin films: low-voltage operation using ionic liquid gate dielectrics.

    Science.gov (United States)

    Fujimoto, Takuya; Miyoshi, Yasuhito; Matsushita, Michio M; Awaga, Kunio

    2011-05-28

    We studied a complementary organic inverter consisting of a p-type semiconductor, metal-free phthalocyanine (H(2)Pc), and an n-type semiconductor, tetrakis(thiadiazole)porphyrazine (H(2)TTDPz), operated through the ionic-liquid gate dielectrics of N,N-diethyl-N-methyl(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide (DEME-TFSI). This organic inverter exhibits high performance with a very low operation voltage below 1.0 V and a dynamic response up to 20 Hz. © The Royal Society of Chemistry 2011

  13. Probing the microscopic structural organization of neat ionic liquids (ILs) and ionic liquid-based gels through resonance energy transfer (RET) studies.

    Science.gov (United States)

    Majhi, Debashis; Sarkar, Moloy

    2017-08-30

    With the aim to understand the role of the ionic constituents of ionic liquids (ILs) in their structural organization, resonance energy transfer (RET) studies between ionic liquids (donor) and rhodamine 6G (acceptor) have been investigated. RET studies have been exploited for the present investigation due to the fact that the said process is extremely sensitive to the distance, and a change in the donor-acceptor distance due to a change in the structural organization can be probed. Basically, steady state and time-resolved fluorescence measurements have been carried out in two different sets of ILs, where in one set (1-ethyl-3-methyl imidazolium alkyl sulfate) the alkyl side chain length on the anionic moiety is systematically varied and in the other set variation is done on the cation (aromatic and nonaromatic). The data related to the RET events have been analyzed in light of Förster theory. A clear rise time in the fluorescence intensity decay profile of the acceptor has unequivocally established the RET process between the donor and acceptor. Interestingly, the rise times and energy transfer efficiencies are also observed to vary with a variation in the alkyl chain length as well as the nature of the cations. More interestingly, the donor-acceptor distance (R DA ) is observed to increase from 35.0 Å to 47.5 Å upon increasing the anion chain length from ethyl to octyl. However, R DA is found to decrease (40.5 Å to 34.9 Å) upon going from 1-methyl-3-butylimidazolium to 1-butyl-1-methylpyrrolidinium cations. The variation of the relevant RET parameters for the two sets of ILs has been rationalized by considering the change in the structural organization of the respective set of ILs. Additionally, observation of the RET process also in an IL-based gel system indicates the potential use of this fluorescent gel material for future applications.

  14. Decomposition of halogenated organic chemicals in ionic liquid by ionizing radiation

    International Nuclear Information System (INIS)

    Kimura, A.; Taguchi, M.; Kojima, T.; Nagaishi, R.; Hiratsuka, H.

    2006-01-01

    Introduction: Halogenated organic chemicals such as polychlorodibenzo-p-dioxin, polychlorobiphenyls and hexachlorobenzene are widely spread in water environment. These pollutants are persistent against advanced oxidation treatments such as ozone/UV, ozone/hydrogen peroxide, ionizing radiation and photocatalysts. The ionizing radiation, however, can also produce homogeneously and quantitatively reducing species in water. On the other hand, room temperature ionic liquids (RTILs) have unique properties such as nonflammable, high polarity, low melting point, hydrophobicity and wide electrochemical window. The combined method of reduction by ionizing radiation and RTILs is investigated as a new environmental conservation technology. Experimental: Chlorophenol (CP) is selected as model chemicals having the main frame of halogenated organic chemicals. Each o - , m - and p-CP were irradiated with 60 Co γ-ray in each diethylmethyl(2-methoxy-ethyl)ammonium bis(trifluoromethylsulfonyl)imide (DEMMA- TFSI), diethylmethyl(2-methoxyethyl)-ammonium tetrafluoroborate (DEMMA-BF4), methanol and ethanol as solvent. Decomposition of CP and formation of irradiation products were studied using HPLC, LC-MS and ion chromatography. Results and discussion: Concentration of CP in each solution decreased as a function of dose. G-value was estimated from the slope at the primary stage of the decomposition curve. The G(-CP) and G(Phenol) were shown in Table 1. G(-CP) in the aliphatic alcohols was 0.21 to 0.37, which is lower than G-value of reducing species in the alcohols, e.g. G=1.0 to 1.5 for solvated electron. Since the rate constant for reaction of CP with hydrated electron is 1.3 x 10 9 mol -1 ·dm 3 ·s -1 , the reverse reaction is considered to attribute. G(-CP) in DEMMA-TFSI or DEMMA-BF4 was about 2 to 3 times higher than that in each alcohol. Lifetime of the reducing species in RTILs would be longer than that in each alcohol. G(-CP) in DEMMA-TFSI decreased by adding acetone or oxygen

  15. Liquid-liquid extraction of uranium (VI) using Cyanex 272 in kerosene from sodium salicylate medium

    International Nuclear Information System (INIS)

    Kamble, Pravin N.; Mohite, Baburao S.; Suryavanshi, Vishal J.; Salunkhe, Suresh T.

    2015-01-01

    Liquid-liquid extraction of uranium (VI) from sodium salicylate media using Cyanex 272 in kerosene has been carried out. Uranium (VI) was quantitatively extracted from 1x10 -4 M sodium salicylate with 5x10 -4 M Cyanex 272 in kerosene. It was stripped quantitatively from the organic phase with 4M HCl and determined spectrophotometrically with arsenazo(III) at 600 nm. The effects of concentrations of sodium salicylate, metal ions and strippants have been studied. Separation of uranium (VI) from other elements was achieved from binary as well as from multicomponent mixtures. The method is simple, rapid and selective with good reproducibility (approximately ±2%). (author)

  16. Dispersive liquid-liquid microextraction method based on solidification of floating organic droplet for the determination of thiamphenicol and florfenicol in environmental water samples.

    Science.gov (United States)

    Peng, Guilong; He, Qiang; Al-Hamadani, Sulala M Z F; Zhou, Guangming; Liu, Mengzi; Zhu, Hui; Chen, Junhua

    2015-05-01

    Dispersive liquid-liquid microextraction with solidification of a floating organic droplet (DLLME-SFO) followed by high performance liquid chromatography-ultraviolet (HPLC-UV) detection was applied for the determination of thiamphenicol (TAP), florfenicol (FF) in water samples. 1-Undecanol was used as the extraction solvent which has lower density than water, low toxicity, and low melting point (19°C). A mixture of 800mL acetone (disperser solvent) and 80µL of 1-undecanol (extraction solvent) was injected into 20mL of aqueous solution. After 5min, 0.6g of NaCl was added and the sample vial was shaken. After 5min, the sample was centrifuged at 3500rpm for 3min, and then placed in an ice bath. When the extraction solvent floating on the aqueous solution had solidified, it was transferred into another conical vial where it was melted quickly at room temperature, and was diluted with methanol to 1mL, and analyzed by HPLC-UV detection. Parameters influencing the extraction efficiency were thoroughly examined and optimized. The extraction recoveries (ER) and the enrichment factors (EF) ranged from 67% to 72% and 223 to 241, respectively. The limits of detection (LODs) (S/N=3) were 0.33 and 0.56µgL(-1) for TAP and FF, respectively. Linear dynamic range (LDR) was in the range of 1.0-550µgL(-1) for TAP and 1.5-700µgL(-1) for FF, the relative standard deviations (RSDs) were in the range of 2.6-3.5% and the recoveries of spiked samples ranged from 94% to 106%. Copyright © 2015 Elsevier Inc. All rights reserved.

  17. Slow pyrolysis of organic fraction of municipal solid waste (OFMSW): characterisation of products and screening of the aqueous liquid product for anaerobic digestion

    OpenAIRE

    Yang, Yang; Heaven, Sonia; Venetsaneas, Nikolaos; Banks, Charles; Bridgwater, Anthony

    2018-01-01

    A comprehensive study of the energy yield from slow pyrolysis of the organic fraction of municipal solid waste (OFMSW) and energy recovery from the aqueous liquid product by anaerobic digestion has been carried out. In this paper, the results of the liquid pyrolysis product characterisation are presented, with toxicity and methane potential assessments of the aqueous liquid product. The OFMSW feedstock was obtained from a UK waste treatment plant. Shredded samples dried to different moisture ...

  18. Dispersive liquid-liquid microextraction based on solidification of floating organic drop for preconcentration and determination of trace amounts of copper by flame atomic absorption spectrometry.

    Science.gov (United States)

    Karadaş, Cennet; Kara, Derya

    2017-04-01

    A novel, simple, rapid, sensitive, inexpensive and environmentally friendly dispersive liquid-liquid microextraction method based on the solidification of a floating organic drop (DLLME-SFO) was developed for the determination of copper by flame atomic absorption spectrometry (FAAS). N-o-Vanillidine-2-amino-p-cresol was used as a chelating ligand and 1-undecanol was selected as an extraction solvent. The main parameters affecting the performance of DLLME-SFO, such as sample pH, volume of extraction solvent, extraction time, concentration of the chelating ligand, salt effect, centrifugation time and sample volume were investigated and optimized. The effect of interfering ions on the recovery of copper was also examined. Under the optimum conditions, the detection limit (3σ) was 0.93μgL -1 for Cu using a sample volume of 20mL, yielding a preconcentration factor of 20. The proposed method was successfully applied to the determination of Cu in tap, river and seawater, rice flour and black tea samples as well as certified reference materials. Copyright © 2016. Published by Elsevier Ltd.

  19. Optimization of dispersive liquid-phase microextraction based on solidified floating organic drop combined with high-performance liquid chromatography for the analysis of glucocorticoid residues in food.

    Science.gov (United States)

    Huang, Yuan; Zheng, Zhiqun; Huang, Liying; Yao, Hong; Wu, Xiao Shan; Li, Shaoguang; Lin, Dandan

    2017-05-10

    A rapid, simple, cost-effective dispersive liquid-phase microextraction based on solidified floating organic drop (SFOD-LPME) was developed in this study. Along with high-performance liquid chromatography, we used the developed approach to determine and enrich trace amounts of four glucocorticoids, namely, prednisone, betamethasone, dexamethasone, and cortisone acetate, in animal-derived food. We also investigated and optimized several important parameters that influenced the extraction efficiency of SFOD-LPME. These parameters include the extractant species, volumes of extraction and dispersant solvents, sodium chloride addition, sample pH, extraction time and temperature, and stirring rate. Under optimum experimental conditions, the calibration graph exhibited linearity over the range of 1.2-200.0ng/ml for the four analytes, with a reasonable linearity(r 2 : 0.9990-0.9999). The enrichment factor was 142-276, and the detection limits was 0.39-0.46ng/ml (0.078-0.23μg/kg). This method was successfully applied to analyze actual food samples, and good spiked recoveries of over 81.5%-114.3% were obtained. Copyright © 2017. Published by Elsevier B.V.

  20. Solid-Phase Extraction Followed by Dispersive Liquid-Liquid Microextraction Based on Solidification of Floating Organic Drop for the Determination of Parabens.

    Science.gov (United States)

    Hashemi, Beshare; Shamsipur, Mojtaba; Fattahi, Nazir

    2015-09-01

    A dispersive liquid-liquid microextraction based on solidification of floating organic drop method combined with solid-phase extraction (500-mg C18 sorbent) was developed for preconcentration and determination of some parabens. The experimental parameters influencing the extraction efficiency such as the type of extraction and disperser solvents, as well as their volumes, breakthrough volume, flow rate and salt addition were studied and optimized. The optimum experimental conditions found included: sample volume, 100 mL; KCl concentration, 1% (w/v); extraction solvent (1-undecanol) volume, 20 µL and disperser solvent (acetone) volume, 250 µL. Under the optimum experimental conditions, calibration graphs were linear in the range of 1-200 µg L(-1) with limits of detection ranged from 0.3 to 1.7 µg L(-1). The relative standard deviations were in the range of 1.2-3.1% (n = 5). The enrichment factors and absolute recoveries of parabens in different matrices were 245-1886 and 9.0-69.8%, respectively. The method was applied to the simultaneous determination of parabens in different matrices. The relative recoveries from water, shampoo and mouth rinse samples, which have been spiked at different levels of parabens, were 87.83-112.25%, 82.80-108.40% and 90.10-97.60%, respectively. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  1. Direct extraction of genomic DNA from maize with aqueous ionic liquid buffer systems for applications in genetically modified organisms analysis.

    Science.gov (United States)

    Gonzalez García, Eric; Ressmann, Anna K; Gaertner, Peter; Zirbs, Ronald; Mach, Robert L; Krska, Rudolf; Bica, Katharina; Brunner, Kurt

    2014-12-01

    To date, the extraction of genomic DNA is considered a bottleneck in the process of genetically modified organisms (GMOs) detection. Conventional DNA isolation methods are associated with long extraction times and multiple pipetting and centrifugation steps, which makes the entire procedure not only tedious and complicated but also prone to sample cross-contamination. In recent times, ionic liquids have emerged as innovative solvents for biomass processing, due to their outstanding properties for dissolution of biomass and biopolymers. In this study, a novel, easily applicable, and time-efficient method for the direct extraction of genomic DNA from biomass based on aqueous-ionic liquid solutions was developed. The straightforward protocol relies on extraction of maize in a 10 % solution of ionic liquids in aqueous phosphate buffer for 5 min at room temperature, followed by a denaturation step at 95 °C for 10 min and a simple filtration to remove residual biopolymers. A set of 22 ionic liquids was tested in a buffer system and 1-ethyl-3-methylimidazolium dimethylphosphate, as well as the environmentally benign choline formate, were identified as ideal candidates. With this strategy, the quality of the genomic DNA extracted was significantly improved and the extraction protocol was notably simplified compared with a well-established method.

  2. Application of self-organizing feature maps to analyze the relationships between ignitable liquids and selected mass spectral ions.

    Science.gov (United States)

    Frisch-Daiello, Jessica L; Williams, Mary R; Waddell, Erin E; Sigman, Michael E

    2014-03-01

    The unsupervised artificial neural networks method of self-organizing feature maps (SOFMs) is applied to spectral data of ignitable liquids to visualize the grouping of similar ignitable liquids with respect to their American Society for Testing and Materials (ASTM) class designations and to determine the ions associated with each group. The spectral data consists of extracted ion spectra (EIS), defined as the time-averaged mass spectrum across the chromatographic profile for select ions, where the selected ions are a subset of ions from Table 2 of the ASTM standard E1618-11. Utilization of the EIS allows for inter-laboratory comparisons without the concern of retention time shifts. The trained SOFM demonstrates clustering of the ignitable liquid samples according to designated ASTM classes. The EIS of select samples designated as miscellaneous or oxygenated as well as ignitable liquid residues from fire debris samples are projected onto the SOFM. The results indicate the similarities and differences between the variables of the newly projected data compared to those of the data used to train the SOFM. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  3. Liquid–liquid extraction combined with differential isotope dimethylaminophenacyl labeling for improved metabolomic profiling of organic acids

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Jun; Li, Liang, E-mail: Liang.Li@ualberta.ca

    2013-11-25

    Graphical abstract: -- Highlights: •An improved method for profiling the carboxylic acid sub-metabolome is reported. •Liquid–liquid extraction was used for separating the organic acids from the amines. •{sup 12}C/{sup 13}C-p-dimethylaminophenacyl (DmPA) labeling of the organic acids was carried out on the extract. •Detection interference by amines and labeling efficiency reduction by water were reduced. •About 2500 {sup 12}C/{sup 13}C-peak pairs or putative metabolites could be detected from 20 μL of human urine. -- Abstract: A large fraction of the known human metabolome belong to organic acids. However, comprehensive profiling of the organic acid sub-metabolome is a major analytical challenge. In this work, we report an improved method for detecting organic acid metabolites. This method is based on the use of liquid–liquid extraction (LLE) to selectively extract the organic acids, followed by using differential isotope p-dimethylaminophenacyl (DmPA) labeling of the acid metabolites. The {sup 12}C-/{sup 13}C-labeled samples are analyzed by liquid chromatography Fourier-transform ion cyclotron resonance mass spectrometry (LC–FTICR–MS). It is shown that this LLE DmPA labeling method offers superior performance over the method of direct DmPA labeling of biofluids such as human urine. LLE of organic acids reduces the interference of amine-containing metabolites that may also react with DmPA. It can also remove water in a biofluid that can reduce the labeling efficiency. Using human urine as an example, it is demonstrated that about 2500 peak pairs or putative metabolites could be detected in a 30-min gradient LC–MS run, which is about 3 times more than that detected in a sample prepared using direct DmPA labeling. About 95% of the 1000 or so matched metabolites to the Human Metabolome Database (HMDB) are organic acids. It is further shown that this method can be used to handle as small as 10 μL of urine. We believe that this method opens the

  4. Liquid–liquid extraction combined with differential isotope dimethylaminophenacyl labeling for improved metabolomic profiling of organic acids

    International Nuclear Information System (INIS)

    Peng, Jun; Li, Liang

    2013-01-01

    Graphical abstract: -- Highlights: •An improved method for profiling the carboxylic acid sub-metabolome is reported. •Liquid–liquid extraction was used for separating the organic acids from the amines. • 12 C/ 13 C-p-dimethylaminophenacyl (DmPA) labeling of the organic acids was carried out on the extract. •Detection interference by amines and labeling efficiency reduction by water were reduced. •About 2500 12 C/ 13 C-peak pairs or putative metabolites could be detected from 20 μL of human urine. -- Abstract: A large fraction of the known human metabolome belong to organic acids. However, comprehensive profiling of the organic acid sub-metabolome is a major analytical challenge. In this work, we report an improved method for detecting organic acid metabolites. This method is based on the use of liquid–liquid extraction (LLE) to selectively extract the organic acids, followed by using differential isotope p-dimethylaminophenacyl (DmPA) labeling of the acid metabolites. The 12 C-/ 13 C-labeled samples are analyzed by liquid chromatography Fourier-transform ion cyclotron resonance mass spectrometry (LC–FTICR–MS). It is shown that this LLE DmPA labeling method offers superior performance over the method of direct DmPA labeling of biofluids such as human urine. LLE of organic acids reduces the interference of amine-containing metabolites that may also react with DmPA. It can also remove water in a biofluid that can reduce the labeling efficiency. Using human urine as an example, it is demonstrated that about 2500 peak pairs or putative metabolites could be detected in a 30-min gradient LC–MS run, which is about 3 times more than that detected in a sample prepared using direct DmPA labeling. About 95% of the 1000 or so matched metabolites to the Human Metabolome Database (HMDB) are organic acids. It is further shown that this method can be used to handle as small as 10 μL of urine. We believe that this method opens the possibility of generating a

  5. Ionic liquid – Assisted emulsion polymerization of aniline in organic medium

    Energy Technology Data Exchange (ETDEWEB)

    Calheiros, Loan F. [Universidade Federal do Rio de Janeiro, Instituto de Macromoléculas, 21941-598, Rio de Janeiro (Brazil); Soares, Bluma G., E-mail: bluma@metalmat.ufrj.br [Universidade Federal do Rio de Janeiro, PEMM-COPPE, Centro de Tecnologia, 21941-972, Rio de Janeiro (Brazil); Universidade Federal do Rio de Janeiro, Instituto de Macromoléculas, 21941-598, Rio de Janeiro (Brazil); Barra, Guilherme M.O. [Universidade Federal de Santa Catarina, Mechanical Engineering Department, Florianópolis, SC (Brazil); Livi, Sébastien [Université de Lyon, F-69003, Lyon (France); INSA Lyon, F-69621, Villeurbanne (France); CNRS, UMR 5223, Ingénierie des Matériaux Polymères (France)

    2016-08-15

    Polyaniline doped with dodecylbenzene sulfonic acid (PAni.DBSA) with different conductivities and morphologies was prepared by inverted emulsion polymerization, in toluene using ammonium peroxydisulfate as the oxidizing agent, in the presence of two different imidazolium – based ionic liquids, such as, 1-methyl-3-butyl imidazolium tetrafluorate (bmim.BF{sub 4}) and 1-(11-carboxyundecyl)-3-methylimidazolium bromide (mimC{sub 10}COOH.Br). The influence of ionic liquid on the morphology and particle size of formed PAni.DBSA samples was investigated by field emission - scanning electron microscopy (FEG-SEM) and dynamic light scattering (DLS) measurements. Ultraviolet–visible measurements were also employed to confirm the structure of the conducting polymer. PAni.DBSA samples were also characterized by thermogravimetric analysis, cyclic voltammetry and X-ray photoelectron spectroscopy (XPS). PAni.DBSA samples prepared in the presence of ionic liquids have shown improved dispersability in epoxy resin as indicated by optical micrograph. - Highlights: • Imidazolium-based ionic liquids as soft templates for polyaniline synthesis. • PAni with higher conductivity and different morphologies was achieved in the presence of IL. • Good IL/aniline salt interaction resulted in confinement inside PAni particles. • IL confinement confirmed by TGA and XPS analyses. • Excellent dispersability of PAni. DBSA prepared with ionic liquids, in epoxy matrix.

  6. Hybrid Glasses from Strong and Fragile Metal-Organic Framework Liquids

    DEFF Research Database (Denmark)

    Bennett, T.D.; Tan, J.C.; Yue, Yuanzheng

    2015-01-01

    amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density ‘perfect’ glass, similar to those formed in ice, silicon and disaccharides. This order–order transition leads to a super-strong liquid of low fragility that dynamically...... controls collapse, before a subsequent order–disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide...

  7. Molecular motions in a viscous organic liquid: ferrocene in cold butyl phthalate

    International Nuclear Information System (INIS)

    Ruby, S.L.; Zabransky, B.J.; Flinn, P.A.

    1976-01-01

    The two main purposes of this work were to learn (a) if rotational diffusion can be seen along with translational, and (b) is [x(T) 2 ] unusual as the sample is heated from a glass to a liquid. Our observations show that (a) rotational molecular diffusion is not likely ever to be observed by quadrupole relaxation and (b) that there is indeed a fast increase in [x 2 ] above T/sub g/. This increase is correlated with a rapid and linear increase of the number of ''soft modes'' for the liquid above the glass transition temperature

  8. Ionic liquids as transesterification catalysts: applications for the synthesis of linear and cyclic organic carbonates

    Directory of Open Access Journals (Sweden)

    Maurizio Selva

    2016-08-01

    Full Text Available The use of ionic liquids (ILs as organocatalysts is reviewed for transesterification reactions, specifically for the conversion of nontoxic compounds such as dialkyl carbonates to both linear mono-transesterification products or alkylene carbonates. An introductory survey compares pros and cons of classic catalysts based on both acidic and basic systems, to ionic liquids. Then, innovative green syntheses of task-specific ILs and their representative applications are introduced to detail the efficiency and highly selective outcome of ILs-catalyzed transesterification reactions. A mechanistic hypothesis is discussed by the concept of cooperative catalysis based on the dual (electrophilic/nucleophilic activation of reactants.

  9. Microextraction Techniques Coupled to Liquid Chromatography with Mass Spectrometry for the Determination of Organic Micropollutants in Environmental Water Samples

    Directory of Open Access Journals (Sweden)

    Mª Esther Torres Padrón

    2014-07-01

    Full Text Available Until recently, sample preparation was carried out using traditional techniques, such as liquid–liquid extraction (LLE, that use large volumes of organic solvents. Solid-phase extraction (SPE uses much less solvent than LLE, although the volume can still be significant. These preparation methods are expensive, time-consuming and environmentally unfriendly. Recently, a great effort has been made to develop new analytical methodologies able to perform direct analyses using miniaturised equipment, thereby achieving high enrichment factors, minimising solvent consumption and reducing waste. These microextraction techniques improve the performance during sample preparation, particularly in complex water environmental samples, such as wastewaters, surface and ground waters, tap waters, sea and river waters. Liquid chromatography coupled to tandem mass spectrometry (LC/MS/MS and time-of-flight mass spectrometric (TOF/MS techniques can be used when analysing a broad range of organic micropollutants. Before separating and detecting these compounds in environmental samples, the target analytes must be extracted and pre-concentrated to make them detectable. In this work, we review the most recent applications of microextraction preparation techniques in different water environmental matrices to determine organic micropollutants: solid-phase microextraction SPME, in-tube solid-phase microextraction (IT-SPME, stir bar sorptive extraction (SBSE and liquid-phase microextraction (LPME. Several groups of compounds are considered organic micropollutants because these are being released continuously into the environment. Many of these compounds are considered emerging contaminants. These analytes are generally compounds that are not covered by the existing regulations and are now detected more frequently in different environmental compartments. Pharmaceuticals, surfactants, personal care products and other chemicals are considered micropollutants. These

  10. Improvements in Cd stable isotope analysis achieved through use of liquid-liquid extraction to remove organic residues from Cd separates obtained by extraction chromatography.

    Science.gov (United States)

    Murphy, Katy; Rehkämper, Mark; Kreissig, Katharina; Coles, Barry; van de Flierdt, Tina

    2016-01-23

    Organic compounds released from resins that are commonly employed for trace element separations are known to have a detrimental impact on the quality of isotopic analyses by MC-ICP-MS. A recent study highlighted that such effects can be particularly problematic for Cd stable isotope measurements (M. Gault-Ringold and C. H. Stirling, J. Anal. At. Spectrom. , 2012, 27 , 449-459). In this case, the final stage of sample purification commonly applies extraction chromatography with Eichrom TRU resin, which employs particles coated with octylphenyl- N , N -di-isobutyl carbamoylphosphine oxide (CMPO) dissolved in tri- n -butyl phosphate (TBP). During chromatography, it appears that some of these compounds are eluted alongside Cd and cannot be removed by evaporation due to their high boiling points. When aliquots of the zero-ε reference material were processed through the purification procedure, refluxed in concentrated HNO 3 and analyzed at minimum dilution (in 1 ml 0.1 M HNO 3 ), they yielded Cd isotopic compositions (ε 114/110 Cd = 4.6 ± 3.4, 2SD, n = 4) that differed significantly from the expected value, despite the use of a double spike technique to correct for instrumental mass fractionation. This result was accompanied by a 35% reduction in instrumental sensitivity for Cd. With increasing dilution of the organic resin residue, both of these effects are reduced and they are insignificant when the eluted Cd is dissolved in ≥3 ml 0.1 M HNO 3 . Our results, furthermore, indicate that the isotopic artefacts are most likely related to anomalous mass bias behavior. Previous studies have shown that perchloric acid can be effective at avoiding such effects (Gault-Ringold and Stirling, 2012; K. C. Crocket, M. Lambelet, T. van de Flierdt, M. Rehkämper and L. F. Robinson, Chem. Geol. , 2014, 374-375 , 128-140), presumably by oxidizing the resin-derived organics, but there are numerous disadvantages to its use. Here we show that liquid-liquid extraction with n -heptane

  11. Production of 15N-Labelled Liquid Organic Fertilisers Based on Manure and Crop Residue for Use in Fertigation Studies

    Science.gov (United States)

    Martínez-Alcántara, Belén; Martínez-Cuenca, Mary-Rus; Fernández, Carlos; Legaz, Francisco; Quiñones, Ana

    2016-01-01

    Large quantities of crop residue and animal manure from agricultural and livestock activities are annually produced worldwide. With proper management, these residues are potentially valuable sources of plant nutrients, mainly N. Recycling such subproducts in sustainably-based agricultural systems can minimise the use of mineral fertilisers, and hence reduce the potential risk of surface and groundwater pollution. Therefore, the purpose of this study was to obtain (small scale) two liquid labelled-organic fertilisers, an animal- and a vegetal-based organic (AO and VO, respectively) fertiliser, to be used as organic N sources in subsequent fertigation studies. Forage maize (Zea mays L.) grown under 15N-labelled fertiliser supply was used as raw material for VO fertiliser production, and also as 15N-labelled sheep feed to obtain 15N-labelled manure. The labelled faeces fraction was used as raw material for the AO fertiliser. The VO fertiliser was obtained after an acidic and an enzyme-driven hydrolysis. The AO fertiliser was obtained after acidic hydrolysis. The VO liquid fertiliser presented an N concentration of 330 mg·L-1, 85% of total N was organic, while ammonium and nitrate N accounted for 55% and 45% of the mineral nitrogen fraction, respectively. This fertiliser also exhibited high K, Ca and S concentrations and notable values for the remaining macro- and micronutrients. The AO liquid fertiliser had a similar total N concentration (496 mg·L-1, 82% of total N in an organic form) to that of VO, but its mineral N fraction significantly differed, which came in a predominantly (95%) ammonia form. It also had a high content of N, P, K and other macronutrients, and sufficient Fe, Zn, Mn, Cu and B levels, which suggests its suitability as a potential fertiliser. The percentage of 15N enrichment in both VO and AO liquid fertilisers exceeded 2% 15N atom excess, which enabled their use in subsequent assays run to assess nitrogen uptake efficiency. PMID:26982183

  12. Production of 15N-Labelled Liquid Organic Fertilisers Based on Manure and Crop Residue for Use in Fertigation Studies.

    Directory of Open Access Journals (Sweden)

    Belén Martínez-Alcántara

    Full Text Available Large quantities of crop residue and animal manure from agricultural and livestock activities are annually produced worldwide. With proper management, these residues are potentially valuable sources of plant nutrients, mainly N. Recycling such subproducts in sustainably-based agricultural systems can minimise the use of mineral fertilisers, and hence reduce the potential risk of surface and groundwater pollution. Therefore, the purpose of this study was to obtain (small scale two liquid labelled-organic fertilisers, an animal- and a vegetal-based organic (AO and VO, respectively fertiliser, to be used as organic N sources in subsequent fertigation studies. Forage maize (Zea mays L. grown under 15N-labelled fertiliser supply was used as raw material for VO fertiliser production, and also as 15N-labelled sheep feed to obtain 15N-labelled manure. The labelled faeces fraction was used as raw material for the AO fertiliser. The VO fertiliser was obtained after an acidic and an enzyme-driven hydrolysis. The AO fertiliser was obtained after acidic hydrolysis. The VO liquid fertiliser presented an N concentration of 330 mg·L-1, 85% of total N was organic, while ammonium and nitrate N accounted for 55% and 45% of the mineral nitrogen fraction, respectively. This fertiliser also exhibited high K, Ca and S concentrations and notable values for the remaining macro- and micronutrients. The AO liquid fertiliser had a similar total N concentration (496 mg·L-1, 82% of total N in an organic form to that of VO, but its mineral N fraction significantly differed, which came in a predominantly (95% ammonia form. It also had a high content of N, P, K and other macronutrients, and sufficient Fe, Zn, Mn, Cu and B levels, which suggests its suitability as a potential fertiliser. The percentage of 15N enrichment in both VO and AO liquid fertilisers exceeded 2% 15N atom excess, which enabled their use in subsequent assays run to assess nitrogen uptake efficiency.

  13. Branched and Cyclic Alkyl Groups in Imidazolium - Based Ionic Liquids: Molecular Organization and Physico - chemical Properties

    Czech Academy of Sciences Publication Activity Database

    Andresová, Adéla; Storch, Jan; Traikia, M.; Wagner, Zdeněk; Bendová, Magdalena; Husson, P.

    2014-01-01

    Roč. 371, JUN 15 (2014), s. 41-49 ISSN 0378-3812 R&D Projects: GA MŠk(CZ) LG12032 Institutional support: RVO:67985858 Keywords : ionic liquids * sythesis * density Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.200, year: 2014

  14. Saturated-liquid heat capacity of organic compounds: new empirical correlation model

    Directory of Open Access Journals (Sweden)

    DUSAN K. GROZDANIC

    2004-03-01

    Full Text Available A new saturated-liquid heat capacity model is recommended. This model is tested and compared with the known polynomial and quasi-polynomial models on 39 sets with 1453 experimental heat capacity data. The obtained results indicate that the new model is better then the existing models, especially near the critical point.

  15. Liquid-phase and vapor-phase dehydration of organic/water solutions

    Science.gov (United States)

    Huang, Yu [Palo Alto, CA; Ly, Jennifer [San Jose, CA; Aldajani, Tiem [San Jose, CA; Baker, Richard W [Palo Alto, CA

    2011-08-23

    Processes for dehydrating an organic/water solution by pervaporation or vapor separation using fluorinated membranes. The processes are particularly useful for treating mixtures containing light organic components, such as ethanol, isopropanol or acetic acid.

  16. Combination of corona discharge ion mobility spectrometry with a novel reagent gas and two immiscible organic solvent liquid-liquid-liquid microextraction for analysis of clomipramine in biological samples.

    Science.gov (United States)

    Saraji, Mohammad; Bidgoli, Ali Akbar Hajialiakbari; Khayamian, Taghi; Moradmand, Ali

    2011-12-02

    A novel and sensitive method based on combination of two immiscible organic solvents hollow fiber-based liquid-liquid-liquid microextraction and corona discharge ion mobility spectrometry (HF-LLLME-CD-IMS) was employed for the analysis of clomipramine in human urine and plasma. The effect of formic, acetic and propionic acid as the reagent gas (dopant) on the corona discharge ion mobility signal was investigated. The influence of dopant amount was also studied. Optimum mass flow rates of the dopants were 3.7, 1.1 and 1.0 μmol min(-1) for formic, acetic and propionic acid, respectively. Experimental parameters influencing the extraction efficiency of HF-LLLME, such as NaOH concentration as donor solution, ionic strength of the sample, stirring rate, and extraction time were investigated and optimized. Under the optimum conditions, analytical parameters such as linearity, precision and limit of detection were also evaluated. The linear dynamic range was from 1 to 100 μg L(-1) (r(2)=0.9980) and the limit of detection was 0.35 μg L(-1). Intra- and inter-day precisions were satisfactory with a relative standard deviation (RSD) of 5.9 and 6.7%, respectively. The proposed method was satisfactorily applied for the determination of clomipramine in human plasma and urine. Copyright © 2011 Elsevier B.V. All rights reserved.

  17. Liquid biphase systems formed in ternary mixtures of two organic solvents and ethylene oxide oligomers or polymers

    Directory of Open Access Journals (Sweden)

    Spitzer Marcos

    2000-01-01

    Full Text Available Phase equilibrium data were determined for ternary systems containing ethylene oxide oligomers or polymers, heptane and one of three organic solvents (methanol, dichloromethane or chloroform. The effects of temperature, of polymer molecular weight and of the chemical nature of the organic solvent on phase equilibrium were investigated. For all the studied systems, the miscibility region was reduced as temperature decreased, indicating an exothermic phase separation process. For both binary and ternary mixtures, the miscibility also decreased as the macromolecule size increased, although this effect was less significant for the ternary mixtures. These features suggest that phase separation is more influenced by enthalpic than entropic contributions. Regarding the different polar solvents investigated, methanol presented a much smaller miscibility region, in accordance with its inferior solvation ability for PEO. The largest miscibility region was observed with chloroform, not much different from the behaviour observed with dichloromethane. Tie lines were determined for some systems, confirming the strong segregation between polymer and the hydrocarbon solvent.

  18. Thermodynamics of hydrogen bonding and van der Waals interactions of organic solutes in solutions of imidazolium based ionic liquids: “Structure-property” relationships

    International Nuclear Information System (INIS)

    Varfolomeev, Mikhail A.; Khachatrian, Artashes A.; Akhmadeev, Bulat S.; Solomonov, Boris N.

    2016-01-01

    Highlights: • Solution enthalpies of organic solutes in imidazolium based ionic liquids were measured. • van der Waals interactions scale of imidazolium based ionic liquids was proposed. • Enthalpies of solvation of organic solutes in ionic liquids were determined. • Hydrogen bond enthalpies of organic solutes with ionic liquids were calculated. • Relationships between structure of ionic liquids and thermochemical data were obtained. - Abstract: In the present work thermochemistry of intermolecular interactions of organic compounds in solutions of imidazolium based ionic liquids (ILs) has been studied using solution calorimetry method. Enthalpies of solution at infinite dilution of non-polar (alkanes, aromatic hydrocarbons) and polar (alcohols, amides, and etc.) organic solutes in two ionic liquids 1-butyl-3-methylimidazolium tetrafluoroborate and 1-butyl-3-methylimidazolium trifluoromethanesulfonate were measured at 298.15 K. The scale of van der Waals interactions of imidazolium based ILs has been proposed on the basis of solution enthalpies of n-alkanes in their media. The effect of the cation and anion structure of ILs on the enthalpies of solvation was analyzed. Enthalpies of hydrogen bonding of organic solutes with imidazolium based ILs were determined. It has been shown that these values are close to zero for proton acceptor solutes. At the same time, enthalpies of hydrogen bonding of proton donor solutes with ionic liquids are increased depending the anion: tetrafluoroborate ≈ bis(trifluoromethylsulfonyl)imide < 2-(2-methoxyethoxy)ethyl sulfate < trifluoromethanesulfonate. Enthalpies of van der Waals interactions and hydrogen bonding in the solutions of imidazolium based ionic liquids were compared with the same data for molecular solvents.

  19. [Determination of sugars, organic acids and alcohols in microbial consortium fermentation broth from cellulose using high performance liquid chromatography].

    Science.gov (United States)

    Jiang, Yan; Fan, Guifang; Du, Ran; Li, Peipei; Jiang, Li

    2015-08-01

    A high performance liquid chromatographic method was established for the determination of metabolites (sugars, organic acids and alcohols) in microbial consortium fermentation broth from cellulose. Sulfate was first added in the samples to precipitate calcium ions in microbial consortium culture medium and lower the pH of the solution to avoid the dissociation of organic acids, then the filtrates were effectively separated using high performance liquid chromatography. Cellobiose, glucose, ethanol, butanol, glycerol, acetic acid and butyric acid were quantitatively analyzed. The detection limits were in the range of 0.10-2.00 mg/L. The linear correlation coefficients were greater than 0.999 6 in the range of 0.020 to 1.000 g/L. The recoveries were in the range of 85.41%-115.60% with the relative standard deviations of 0.22% -4.62% (n = 6). This method is accurate for the quantitative analysis of the alcohols, organic acids and saccharides in microbial consortium fermentation broth from cellulose.

  20. Application of Light Reflection Visualization for Measuring Organic-Liquid Saturation for Two-Phase Systems in Two-Dimensional Flow Cells.

    Science.gov (United States)

    DiFilippo, Erica L; Brusseau, Mark L

    2011-11-01

    A simple, noninvasive imaging technique was used to obtain in situ measurements of organic-liquid saturation in a two-phase system under dynamic conditions. Efficacy of the light reflection visualization (LRV) imaging method was tested through comparison of measured and known volumes of organic liquid for experiments conducted with a two-dimensional flow cell. Two sets of experiments were conducted, with source-zone configurations representing two archetypical residual-and-pool architectures. LRV measurements were collected during the injection of organic liquid and during a dissolution phase induced by water flushing. There was a strong correlation between measured and known organic-liquid volumes, with the LRV-measured values generally somewhat lower than the known volumes. Errors were greater for the system wherein organic liquid was present in multiple zones comprised of porous media of different permeabilities, and for conditions of multiphase flow. This method proved effective at determining organic-liquid distribution in a two-phase system using minimal specialized equipment.