Theoretical and experimental study of mixed solvent electrolytes

International Nuclear Information System (INIS)

Cummings, P.T.; O'Connell, J.P.

1990-01-01

In the original proposal to study mixed solvent electrolyte solutions, four major goals were formulated: fundamental modeling of mixed solvent electrolytes using numerically solved integral equation approximation theories; evaluation of intermolecular pair potential models by computer simulation of selected systems for comparison with experiment and the numerical integral equation studies; development of fundamentally based correlations for the thermodynamic properties of mixed solvent electrolyte solutions using analytically solvable statistical mechanical models; and extension of experimental database on mixed solvent electrolytes by performing vapor-liquid equilibrium measurements on selected systems. This paper discusses the progress on these goals

Molecular Thermodynamic Modeling of Mixed Solvent Solubility

DEFF Research Database (Denmark)

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

2010-01-01

A method based on statistical mechanical fluctuation solution theory for composition derivatives of activity coefficients is employed for estimating dilute solubilities of 11 solid pharmaceutical solutes in nearly 70 mixed aqueous and nonaqueous solvent systems. The solvent mixtures range from...... nearly ideal to strongly nonideal. The database covers a temperature range from 293 to 323 K. Comparisons with available data and other existing solubility methods show that the method successfully describes a variety of observed mixed solvent solubility behaviors using solute−solvent parameters from...

Molar enthalpy of mixing and refractive indices of choline chloride-based deep eutectic solvents with water

International Nuclear Information System (INIS)

Ma, Chunyan; Guo, Yanhua; Li, Dongxue; Zong, Jianpeng; Ji, Xiaoyan; Liu, Chang

2017-01-01

Highlights: • Molar enthalpy of mixing and refractive indices for binary mixtures of different deep eutectic solvents with water. • The Redlich–Kister equation and the NRTL model was used to fit the experimental data. • The NRTL model with fitted parameters were used to predict the vapour pressure and compared with experimental data. - Abstract: The molar enthalpies of mixing were measured for binary systems of choline chloride-based deep eutectic solvents (glycerol, ethylene glycol and malonic acid) with water at 298.15 K and 308.15 K, and atmospheric pressure with an isothermal calorimeter. Refractive indices were also measured at 303.15 K and atmospheric pressure. The binary mixtures of {chcl/glycerol (1:2) + water, chcl/ethylene glycol (1:2) + water} showed exothermic behaviour over the entire range of composition, while the binary mixture of {chcl/malonic acid (1:1) + water} showed endothermic behaviour at first and then changed to be exothermic with the increasing content of chcl/malonic acid (1:1). Experimental refractive indices were fitted with the Redlich–Kister equation, and experimental molar enthalpies of mixing were correlated with the Redlich–Kister equation and the non-random two-liquid (NRTL) model. The NRTL model with the fitted parameters was used to predict the vapour pressures of these three mixtures. For mixtures of {chcl/glycerol (1:2) + water} and {chcl/ethylene glycol (1:2) + water}, the predicted vapour pressures agreed well with the experimental results from the literature. While for mixture of {chcl/malonic acid (1:1) + water}, the predicted vapour pressures showed deviation at the high concentration of chcl/malonic acid (1:1), and this was probably because of the complex molecular interaction between chcl/malonic acid (1:1) and water.

Separation of toluene from n-heptane by liquid–liquid extraction using binary mixtures of [bpy][BF4] and [4bmpy][Tf2N] ionic liquids as solvent

International Nuclear Information System (INIS)

García, Silvia; Larriba, Marcos; García, Julián; Torrecilla, José S.; Rodríguez, Francisco

2012-01-01

Highlights: ► Binary mixtures of ionic liquids as extraction solvents of aromatics. ► [4bmpy][Tf 2 N] shows higher capacity but lower selectivity than sulfolane. ► [bpy][BF 4 ] shows lower capacity but higher selectivity than sulfolane. ► Mixed {[4bmpy][Tf 2 N] + [bpy][BF 4 ]} improves both extractive properties. - Abstract: The use of binary mixture of ionic liquids N-butylpyridinium tetrafluoroborate ([bpy][BF 4 ]), and 1-butyl-4-methylpyridinium bis(trifluoromethylsulfonyl)imide ([4bmpy][Tf 2 N]) in the liquid–liquid extraction of toluene from n-heptane has been investigated at 313.2 K and atmospheric pressure. The experimental capacity of extraction and selectivity for this binary mixture has proved to be intermediate to those corresponding to the pure ionic liquids, and they can be predicted using a logarithmic–linear model of solubility. Furthermore, the results showed that the use of binary mixture of {[bpy][BF 4 ] + [4bmpy][Tf 2 N]} at a mole solvent composition around 0.7 for [bpy][BF 4 ] improves both the capacity of extraction of toluene and the selectivity with respect to those of sulfolane, the organic solvent taken as a benchmark. Thus, this mixed ionic liquid could be likely to be used in the extraction of aromatic from aliphatic in replacement to sulfolane.

Effect of the composition of a solution on the enthalpies of solvation of piperidine in methanol-acetonitrile and dimethylsulfoxide-acetonitrile mixed solvents

Science.gov (United States)

Kuz'mina, I. A.; Volkova, M. A.; Sitnikova, K. A.; Sharnin, V. A.

2014-01-01

Heat effects of dissolution of piperidine (ppd) are measured by calorimetry at 298.15 K over the range of composition of acetonitrile-methanol (AN-MeOH) mixed solvents. Based on the Δsol H ○(ppd)AN-MeOH values obtained using the literature data on Δsol H ○ (ppd) in acetonitrile-dimethylsulfoxide (AN-DMSO) mixed solvents and the vaporization enthalpy of ppd, the enthalpies of solvation of amine in AN-MeOH and AN-DMSO binary mixtures are calculated. A rise in the exothermicity of solvation of piperidine is observed upon the transition from AN to DMSO and MeOH, due mainly to the enhanced solvation of the amino group of ppd as a result of changes in the acid-base properties of the mixed solvent.

Thermodynamic Study of the Complexation of p-Isopropylcalix[6]arene with Cs+ Cation in Dimethylsulfoxide-Acetonitrile Binary Media

Directory of Open Access Journals (Sweden)

Gholam Hossein Rounaghi

2011-09-01

Full Text Available The complexation reactions between the macrocyclic ionophore, p-isopropylcalix[6]arene and Cs+ cation were studied in dimethylsulfoxide–acetonitrile (DMSO-AN binary non-aqueous solvents at different temperatures using a conductometry method. The conductance data show that the stoichiometry of the (p-isopropylcalix[6]-arene·Cs+ complex in all binary mixed solvents is 1:1. The stability of the complexes is affected by the composition of the binary solvent media and a non-linear behavior was observed for changes of log Kf of the complex versus the composition of the binary mixed solvents. The thermodynamic parameters (DH°c and DS°c for formation of (p-isopropyl-calix[6]arene·Cs+ complex were obtained from temperature dependence of the stability constant and the obtained results show that the (p-isopropylcalix[6]arene·Cs+ complex is enthalpy destabilized, but entropy stabilized, and the values of the mentioned parameters are affected strongly by the nature and composition of the binary mixed solvents.

Determination and correlation of pyridoxine hydrochloride solubility in different binary mixtures at temperatures from (278.15 to 313.15) K

International Nuclear Information System (INIS)

Han, Dandan; Li, Xiaona; Wang, Haisheng; Wang, Yan; Du, Shichao; Yu, Bo; Liu, Yumin; Xu, Shijie; Gong, Junbo

2016-01-01

Highlights: • Solubility of pyridoxine hydrochloride in three binary mixtures was determined. • Experimental solubility of pyridoxine hydrochloride was correlated by four models. • Mixing thermodynamics of pyridoxine hydrochloride were calculated and discussed. - Abstract: The solubility of pyridoxine hydrochloride in binary solvent mixtures, including (acetone + water), (methanol + water) and (ethanol + water), was measured over temperature range from (278.15 to 313.15) K by a gravimetric method at atmospheric pressure (P = 0.1 MPa). The solubility increased with increasing temperature in binary solvent mixtures at constant solvent composition. Besides, the dissolving capacity of pyridoxine hydrochloride in the three binary solvent mixtures at constant temperature ranked as (methanol + water > ethanol + water > acetone + water) in general, partly depending on the polarity of the solvents. Additionally, the modified Apelblat equation, van’t Hoff equation, CNIBS/R–K model and Jouyban–Acree model were used to correlate the solubility data in binary mixtures, it turned out that all the selected thermodynamic models could give satisfactory results. Furthermore, the mixing thermodynamic properties of pyridoxine hydrochloride in different binary solvent mixtures were also calculated and discussed. The results indicate that the mixing process of pyridoxine hydrochloride in the selected solvents is exothermic.

Modeling of Salt Solubilities in Mixed Solvents

DEFF Research Database (Denmark)

Chiavone-Filho, O.; Rasmussen, Peter

2000-01-01

A method to correlate and predict salt solubilities in mixed solvents using a UNIQUAC+Debye-Huckel model is developed. The UNIQUAC equation is applied in a form with temperature-dependent parameters. The Debye-Huckel model is extended to mixed solvents by properly evaluating the dielectric...... constants and the liquid densities of the solvent media. To normalize the activity coefficients, the symmetric convention is adopted. Thermochemical properties of the salt are used to estimate the solubility product. It is shown that the proposed procedure can describe with good accuracy a series of salt...

Solubilities of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures

International Nuclear Information System (INIS)

Wang, Hui; Wang, Qinbo; Xiong, Zhenhua; Chen, Chuxiong; Shen, Binwei

2015-01-01

Highlights: • Solubilities of benzoic acid in (benzyl alcohol + benzaldehyde) mixtures were measured at 1 atm. • The experimental temperature ranges at (298.35 to 355.65) K. • Effects of benzyl alcohol mass concentration at (0.00 to 1.00) on the solubilities of benzoic acid were studied. • The experimental data were correlated with NRTL model. • Thermodynamic functions of dissolution of benzoic acid in (benzyl alcohol + benzaldehyde) mixtures were discussed. - Abstract: The solubility of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures was measured at temperature from (298.35 to 355.65) K and atmospheric pressure. The measured solubility increases with the increasing temperature at constant solvent composition. The effects of mass fraction benzaldehyde in the solvent mixtures at (0.0 to 1.00) on the solubility were studied. The measured solubility decreases with the increasing mass fraction of benzaldehyde. The experimental results were correlated with the non-random two-liquid (NRTL) equations, and good agreement between the correlated and the experimental values was obtained. Thermodynamic functions for the solution of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures were calculated with the van’t Hoff plot. The apparent dissolution Gibbs free energy change was also calculated

Enzymatic synthesis of 6-O-glucosyl-poly(3-hydroxyalkanoate) in organic solvents and their binary mixture.

Science.gov (United States)

Gumel, A M; Annuar, M S M; Heidelberg, T

2013-04-01

The effects of organic solvents and their binary mixture in the glucose functionalization of bacterial poly-3-hydroxyalkanoates catalyzed by Lecitase™ Ultra were studied. Equal volume binary mixture of DMSO and chloroform with moderate polarity was more effective for the enzyme catalyzed synthesis of the carbohydrate polymer at ≈38.2 (±0.8)% reactant conversion as compared to the mono-phasic and other binary solvents studied. The apparent reaction rate constant as a function of medium water activity (aw) was observed to increase with increasing solvent polarity, with optimum aw of 0.2, 0.4 and 0.7 (±0.1) observed in hydrophilic DMSO, binary mixture DMSO:isooctane and hydrophobic isooctane, respectively. Molecular sieve loading between 13 to 15gL(-1) (±0.2) and reaction temperature between 40 to 50°C were found optimal. Functionalized PHA polymer showed potential characteristics and biodegradability. Copyright © 2012 Elsevier B.V. All rights reserved.

Study of complex formation between C18H36N2O6 and UO22+ cation in some binary mixed non-aqueous solutions

Directory of Open Access Journals (Sweden)

G.H. Rounaghi

2017-02-01

Full Text Available The complexation reaction between UO22+ cation and the macrobicyclic ligand C18H36N2O6 was studied in acetonitrile–dimethylformamide (AN–DMF, acetonitrile–tetrahydrofuran (AN–THF, acetonitrile–dichloromethane (AN–DCM binary solvent solutions at different temperatures using the coductometric method. In most cases, C18H36N2O6 forms a 1:1 [M:L] complex with the UO22+ cation. But in some of the studied solvent systems, in addition to formation of a 1:1 complex, a 1:2 [M:L2] complex is formed in solution. A non-linear behavior was observed for changes of logKf of the (C18H36N2O6·UO22+ complex versus the composition of the binary mixed solvents. The sequence of the stability of the (C18H36N2O6·UO22+ complex in pure solvent systems at 25 °C decreases in the order: AN > THF > DMF. In the case of binary solvent solutions, the stability constant of the complex at 25 °C was found to be: AN–DCM > AN–THF > AN–DMF. The values of thermodynamic quantities (ΔSc°,ΔHc°, for the formation of the complex were obtained from temperature dependence of the stability constant of the complex using the van't Hoff plots. The results show that in all cases, the complex is both entropy and enthalpy stabilized and both of these parameters are affected by the nature and composition of the mixed solvent systems.

Isotope effects in ion-exchange equilibria in aqueous and mixed solvent systems

International Nuclear Information System (INIS)

Gupta, A.R.

1979-01-01

Isotope effects in ion-exchange equilibria in aqueous and mixed solvents are analyzed in terms of the general features of ion-exchange equilibria and of isotope effects in chemical equilibria. The special role of solvent fractionation effects in ion-exchange equilibria in mixed solvents is pointed out. The various situations arising in isotope fractionation in ion exchange in mixed solvents due to solvent fractionation effects are theoretically discussed. The experimental data on lithium isotope effects in ion-exchange equilibria in mixed solvents are shown to conform to the above situations. The limitations of ion-exchange equilibria in mixed solvents for isotope fractionation are pointed out. 3 tables

A potentiometric study of molecular heteroconjugation equilibria in (n-butylamine+acetic acid) systems in binary (acetonitrile +1,4-dioxane) solvent mixtures

International Nuclear Information System (INIS)

Czaja, Malgorzata; Makowski, Mariusz; Chmurzynski, Lech

2006-01-01

By using the potentiometric method the following quantities have been determined: acidity constants of molecular acid, K a (HA), of cationic acid, K a (BH + ), anionic and cationic homoconjugation constants, K AHA - and K BHB + , respectively, as well as molecular heteroconjugation constants, K AHB , in (n-butylamine+acetic acid) systems without proton transfer in binary (acetonitrile+1,4-dioxane), AN+D, solvent mixtures. The results of these measurements have shown that the magnitudes of the molecular heteroconjugation constants do not depend on the 1,4-dioxane content in the mixed solvent, i.e., on solvent polarity. It has also been found that in the (acid+base) systems without proton transfer, the manner of carrying out the titration (direct B+HA vs. reverse HA+B) does not affect the magnitudes of the molecular heteroconjugation constants

Determination and correlation of solubility and solution thermodynamics of oxiracetam in three (alcohol + water) binary solvents

International Nuclear Information System (INIS)

Li, Kangli; Du, Shichao; Wu, Songgu; Cai, Dongchen; Wang, Jinxu; Zhang, Dejiang; Zhao, Kaifei; Yang, Peng; Yu, Bo; Guo, Baisong; Li, Daixi; Gong, Junbo

2016-01-01

Highlights: • The solubility of racemic oxiracetam in three binary solvents were determined. • The experimental solubility of racemic oxiracetam were correlated by four models. • The dissolution thermodynamic properties of racemic oxiracetam were calculated. - Abstract: In this paper, we proposed a static analysis method to experimentally determine the (solid + liquid) equilibrium of racemic oxiracetam in (methanol + water), (ethanol + water) and (isopropanol + water) binary solvents with alcohol mole fraction ranging from 0.30 to 0.90 at atmosphere pressure (p = 0.1 MPa). For the experiments, the temperatures range from (283.15 to 308.15) K. The results showed that the solubility of oxiracetam increased with the increasing temperature, while decreased with the increasing organic solvent fraction in all three tested binary solvent systems. The modified Apelblat model, the CNIBS/Redlich–Kister model, the combined version of Jouyban–Acree model and the NRTL model were employed to correlate the measured solubility values, respectively. Additionally, some of the thermodynamic properties which can help to evaluate its dissolution behavior were obtained based on the NRTL model.

Presence of mixed modes in red giants in binary systems

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Themeßl Nathalie

2017-01-01

Full Text Available The frequencies of oscillation modes in stars contain valueable information about the stellar properties. In red giants the frequency spectrum also contains mixed modes, with both pressure (p and gravity (g as restoring force, which are key to understanding the physical conditions in the stellar core. We observe a high fraction of red giants in binary systems, for which g-dominated mixed modes are not pronounced. This trend leads us to investigate whether this is specific for binary systems or a more general feature. We do so by comparing the fraction of stars with only p-dominated mixed modes in binaries and in a larger set of stars from the APOKASC sample. We find only p-dominated mixed modes in about 50% of red giants in detached eclipsing binaries compared to about 4% in the large sample. This could indicate that this phenomenon is tightly related to binarity and that the binary fraction in the APOKASC sample is about 8%.

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.

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.

A potentiometric study of molecular heteroconjugation equilibria in (n-butylamine+acetic acid) systems in binary (acetonitrile +1,4-dioxane) solvent mixtures

Energy Technology Data Exchange (ETDEWEB)

Czaja, Malgorzata [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Makowski, Mariusz [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Chmurzynski, Lech [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)]. E-mail: lech@chem.univ.gda.pl

2006-05-15

By using the potentiometric method the following quantities have been determined: acidity constants of molecular acid, K{sub a}(HA), of cationic acid, K{sub a}(BH{sup +}), anionic and cationic homoconjugation constants, K{sub AHA{sup -}} and K{sub BHB{sup +}}, respectively, as well as molecular heteroconjugation constants, K{sub AHB}, in (n-butylamine+acetic acid) systems without proton transfer in binary (acetonitrile+1,4-dioxane), AN+D, solvent mixtures. The results of these measurements have shown that the magnitudes of the molecular heteroconjugation constants do not depend on the 1,4-dioxane content in the mixed solvent, i.e., on solvent polarity. It has also been found that in the (acid+base) systems without proton transfer, the manner of carrying out the titration (direct B+HA vs. reverse HA+B) does not affect the magnitudes of the molecular heteroconjugation constants.

Solubility of daidzin in different organic solvents and (ethyl alcohol + water) mixed solvents

International Nuclear Information System (INIS)

Fan, Jie-Ping; Yang, Dan; Xu, Xiao-Kang; Guo, Xiao-Jie; Zhang, Xue-Hong

2015-01-01

Highlights: • The solubilities of daidzin were measured in various solvents. • The solubility data were correlated by three models. • The thermodynamic properties of the dissolution process were also determined. - Abstract: The solubility of daidzin in different organic solvents and (ethyl alcohol + water) mixed solvents was measured by high performance liquid chromatography (HPLC) analysis method from T = (283.2 to 323.2) K at atmosphere pressure. The results show that at higher temperature more daidzin dissolves, and moreover, the solubility increases with the ethyl alcohol mole fraction increase in the (ethyl alcohol + water) mixed solvents. The experimental solubility values were correlated by a simplified thermodynamic equation, λh equation and modified Apelblat equation. Based on the solubility of daidzin, the enthalpy and entropy of solution were also evaluated by van’t Hoff equation. The results illustrated that the dissolution process of daidzin is endothermic and entropy driven

Thermodynamic models for determination of solid–liquid equilibrium of the 6-benzyladenine in pure and binary organic solvents

International Nuclear Information System (INIS)

Li, Tao; Deng, Renlun; Wu, Gang; Gu, Pengfei; Hu, Yonghong; Yang, Wenge; Yu, Yemin; Zhang, Yuhao; Yang, Chen

2017-01-01

Highlights: • The solubility increased with increasing temperature. • Data were fitted using the modified Apelblat equation and other models in pure solvents. • Data were fitted using the modified Apelblat equation and other models in binary solvent mixture. - Abstract: Data on corresponding solid–liquid equilibrium of 6-benzyladenine in different solvents are essential for a preliminary study of industrial applications. In this paper, the solid–liquid equilibrium of 6-benzyladenine in methanol, ethanol, 1-butanol, acetone, acetonitrile, ethyl acetate, dimethyl formamide and tetrahydrofuran pure solvents and (dimethyl formamide + actone) mixture solvents was explored within the temperature range from (278.15 to 333.15) K under 0.1 MPa. For the temperature range investigated, the solubility of 6-benzyladenine in the solvents increased with increasing temperature. The solubility of 6-benzyladenine in dimethyl formamide is superior to other selected pure solvents. The modified Apelblat model, the Buchowski-Ksiazaczak λh model, and the ideal model were adopted to describe and predict the change tendency of solubility. Computational results showed that the modified Apelblat model has more advantages than the other two models. The solubility results were fitted using a modified Apelblat equation, a variant of the combined nearly ideal binary solvent/Redich-Kister (CNIBS/R-K) model, Jouyban-Acree model and Ma model in (dimethyl formamide + acetone) binary solvent mixture. Computational results showed that the modified Apelblat model is superior to the other equations.

1/6TH SCALE STRIP EFFLUENT FEED TANK-MIXING RESULTS USING MCU SOLVENT

Energy Technology Data Exchange (ETDEWEB)

Hansen, E

2006-02-01

The purpose of this task was to determine if mixing was an issue for the entrainment and dispersion of the Modular Caustic Side Solvent Extraction (CSSX) Unit (MCU) solvent in the Defense Waste Processing Facility (DWPF) Strip Effluent Feed Tank (SEFT). The MCU strip effluent stream containing the Cs removed during salt processing will be transferred to the DWPF for immobilization in HLW glass. In lab-scale DWPF chemical process cell testing, mixing of the solvent in the dilute nitric acid solution proved problematic, and the Savannah River National Laboratory (SRNL) was requested to perform scaled SEFT mixing tests to evaluate whether the problem was symptomatic of the lab-scale set-up or of the solvent. The solvent levels tested were 228 and 235 ppm, which represented levels near the estimated DWPF solvent limit of 239 ppm in 0.001M HNO{sub 3} solution. The 239 ppm limit was calculated by Norato in X-CLC-S-00141. The general approach for the mixing investigation was to: (1) Investigate the use of fluorescent dyes to aid in observing the mixing behavior. Evaluate and compare the physical properties of the fluorescent dyed MCU solvents to the baseline Oak Ridge CSSX solvent. Based on the data, use the dyed MCU solvent that best approximates the physical properties. (2) Use approximately a 1/6th linear scale of the SEFT to replicate the internal configuration for DWPF mixing. (3) Determine agitator speed(s) for scaled testing based on the DWPF SEFT mixing speed. (4) Perform mixing tests using the 1/6th SEFT and determine any mixing issues (entrainment/dispersion, accumulation, adhesion) through visual observations and by pulling samples to assess uniformity. The mixing tests used MCU solvent fabricated at SRNL blended with Risk Reactor DFSB-K43 fluorescent dye. This dyed SRNL MCU solvent had equivalent physical properties important to mixing as compared to the Oak Ridge baseline solvent, blended easily with the MCU solvent, and provided an excellent visual aid.

Solubility measurement and correlation of 4-nitrophthalimide in (methanol, ethanol, or acetone) + N,N-dimethylformamide mixed solvents at temperatures from 273.15 K to 323.15 K

International Nuclear Information System (INIS)

Li, Rongrong; Han, Shuo; Du, Cunbin; Cong, Yang; Wang, Jian; Zhao, Hongkun

2016-01-01

Highlights: • Solubility of 4-nitrophthalimide in binary mixed solvents were determined. • Solubility data were correlated and calculated by four models. • The standard dissolution enthalpy for the dissolution processes were calculated. - Abstract: The solubility of 4-nitrophthalimide in binary (methanol + N,N-dimethylformamide (DMF), ethanol + DMF) and (acetone + DMF) solvent mixtures were investigated by the isothermal dissolution equilibrium method under atmosphere pressure. These studies were carried out at different mass fractions of methanol, ethanol or acetone ranging from 0.1 to 0.9 at temperature T = (273.15–323.15) K. For the nine groups of each solvent mixture studied, the solubility of 4-nitrophthalimide in mixed solutions increased with increasing temperature and mass fraction of methanol, ethanol or acetone for the three systems including (methanol + DMF), (ethanol + DMF) and (acetone + DMF). At the same temperature and mass fraction of methanol, ethanol or acetone, the mole fraction solubility of 4-nitrophthalimide in (acetone + DMF) was greater than that in the other two binary solvents. In addition, the experimental mole fraction solubility was correlated by four models (Jouyban–Acree model, van’t Hoff–Jouyban–Acree model, modified Apelblat–Jouyban–Acree model and Sun model). The Jouyban–Acree model gave best representation for the experimental solubility values. Furthermore, the standard molar enthalpies of 4-nitrophthalimide during the dissolving process (Δ sol H o ) were also obtained in this work, and the results show that the dissolution process is endothermic. The experimental solubility and the models used in this work will be helpful in separating 4-nitrophthalimide from its isomeric mixtures.

Controlling Actinide Hydration in Mixed Solvent Systems: Towards Tunable Solvent Systems to Close the Fuel Cycle

International Nuclear Information System (INIS)

Clark, Sue B.

2016-01-01

The goal of this project has been to define the extent of hydration the f-elements and other cations in mixed solvent electrolyte systems. Methanol-water and other mixed solvent systems have been studied, where the solvent dielectric constant was varied systematically. Thermodynamic and spectroscopic studies provide details concerning the energetics of complexation and other reactions of these cations. This information has also been used to advance new understanding of the behavior of these cations in a variety of systems, ranging from environmental studies, chromatographic approaches, and ionization processes for mass spectrometry.

Controlling Actinide Hydration in Mixed Solvent Systems: Towards Tunable Solvent Systems to Close the Fuel Cycle

Energy Technology Data Exchange (ETDEWEB)

Clark, Sue B. [Washington State Univ., Pullman, WA (United States). Dept. of Chemistry

2016-10-31

The goal of this project has been to define the extent of hydration the f-elements and other cations in mixed solvent electrolyte systems. Methanol-water and other mixed solvent systems have been studied, where the solvent dielectric constant was varied systematically. Thermodynamic and spectroscopic studies provide details concerning the energetics of complexation and other reactions of these cations. This information has also been used to advance new understanding of the behavior of these cations in a variety of systems, ranging from environmental studies, chromatographic approaches, and ionization processes for mass spectrometry.

High temperature solvent extraction of oil shale and bituminous coal using binary solvent mixtures

Energy Technology Data Exchange (ETDEWEB)

Goetz, G.K.E. [Lehrstuhl fuer Geologie, Geochemie und Lagerstaetten des Erdoels und der Kohle, RWTH Aachen (Germany)

1997-12-31

A high volatile bituminous coal from the Saar Basin and an oil shale from the Messel deposit, both Germany, were extracted with binary solvent mixtures using the Advanced Solvent Extraction method (ASE). Extraction temperature and pressure were kept at 100 C, respectively 150 C, and 20,7 MPa. After the heating phase (5 min) static extractions were performed with mixtures (v:v, 1:3) of methanol with toluene, respectively trichloromethane, for further 5 min. Extract yields were the same or on a higher level compared to those from classical soxhlet extractions (3 days) using the same solvents at 60 C. Comparing the results from ASE with those from supercritical fluid extraction (SFE) the extract yields were similar. Increasing the temperature in ASE releases more soluble organic matter from geological samples, because compounds with higher molecular weight and especially more polar substances were solubilized. But also an enhanced extraction efficiency resulted for aliphatic and aromatic hydrocarbons which are used as biomarkers in Organic Geochemistry. Application of thermochemolysis with tetraethylammonium hydroxide (TEAH) using pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS) on the extraction residues shows clearly that at higher extraction temperatures minor amounts of free fatty acids or their methyl esters (original or produced by ASE) were trapped inside the pore systems of the oil shale or the bituminous coal. ASE offers a rapid and very efficient extraction method for geological samples reducing analysis time and costs for solvents. (orig.)

Method for Predicting Solubilities of Solids in Mixed Solvents

DEFF Research Database (Denmark)

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

2009-01-01

A method is presented for predicting solubilities of solid solutes in mixed solvents, based on excess Henry's law constants. The basis is statistical mechanical fluctuation solution theory for composition derivatives of solute/solvent infinite dilution activity coefficients. Suitable approximatio...

Ternary and binary LLE measurements for solvent (2-methyltetrahydrofuran and cyclopentyl methyl ether) + furfural + water between 298 and 343 K

International Nuclear Information System (INIS)

Männistö, Mikael; Pokki, Juha-Pekka; Fournis, Ludivine; Alopaeus, Ville

2017-01-01

Highlights: • Novel LLE of 2-methyltetrahydrofuran or cyclopentyl methyl ether + furfural + water. • High performance solvents for liquid-liquid extraction exhibited. • Modelled with UNIQUAC-HOC activity coefficient model. • Comparison to other industrial solvents with distribution coefficient and selectivity. - Abstract: The suitability of two solvents for the extraction of furfural from aqueous streams is assessed through novel ternary and binary liquid-liquid equilibria data for mixtures of solvent (2-methyltetrahydrofuran or cyclopentyl methyl ether) + furfural + water. The measured data are reported along with regressed binary interaction parameters for UNIQUAC-HOC activity coefficient model and further analyzed through distribution coefficients and selectivity for furfural. Out of the two solvents, cyclopentyl methyl ether presents a very high selectivity along with good distribution coefficient in the entire temperature range.

High-yield exfoliation of tungsten disulphide nanosheets by rational mixing of low-boiling-point solvents

Science.gov (United States)

Sajedi-Moghaddam, Ali; Saievar-Iranizad, Esmaiel

2018-01-01

Developing high-throughput, reliable, and facile approaches for producing atomically thin sheets of transition metal dichalcogenides is of great importance to pave the way for their use in real applications. Here, we report a highly promising route for exfoliating two-dimensional tungsten disulphide sheets by using binary combination of low-boiling-point solvents. Experimental results show significant dependence of exfoliation yield on the type of solvents as well as relative volume fraction of each solvent. The highest yield was found for appropriate combination of isopropanol/water (20 vol% isopropanol and 80 vol% water) which is approximately 7 times higher than that in pure isopropanol and 4 times higher than that in pure water. The dramatic increase in exfoliation yield can be attributed to perfect match between the surface tension of tungsten disulphide and binary solvent system. Furthermore, solvent molecular size also has a profound impact on the exfoliation efficiency, due to the steric repulsion.

Mixing process of a binary gas in a density stratified layer

Energy Technology Data Exchange (ETDEWEB)

Takeda, Tetsuaki [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment

1997-09-01

This study is to investigate the effect of natural convection on the mixing process by molecular diffusion in a vertical stratified layer of a binary fluid. There are many experimental and analytical studies on natural convection in the vertical fluid layer. However, there are few studies on natural convection with molecular diffusion in the vertical stratified layer of a binary gas. Experimental study has been performed on the combined phenomena of molecular diffusion and natural convection in a binary gas system to investigate the mixing process of the binary gas in a vertical slot consisting of one side heated and the other side cooled. The range of Rayleigh number based on the slot width was about 0 < Ra{sub d} < 7.5 x 10{sup 4}. The density change of the gas mixture and the temperature distribution in the slot was obtained and the mixing process when the heavier gas ingress into the vertical slot filled with the lighter gas from the bottom side of the slot was discussed. The experimental results showed that the mixing process due to molecular diffusion was affected significantly by the natural convection induced by the slightly temperature difference between both vertical walls even if a density difference by the binary gas is larger than that by the temperature difference. (author). 81 refs.

Effects of solvation on partition and dimerization of benzoic acid in mixed solvent systems.

Science.gov (United States)

Yamada, H; Yajima, K; Wada, H; Nakagawa, G

1995-06-01

The partition of benzoic acid between 0.1M perchloric acid solution and two kinds of mixed solvents has been carried out at 25 degrees C. The partition and dimerization constants of benzoic acid have been determined in the 1-octanol-benzene and 2-octanone-benzene systems. In both the mixed solvent systems, with increasing content of 1-octanol and 2-octanone in each mixed solvent, the partition constant of benzoic acid has been found to increase, and the dimerization constant of benzoic acid in each organic phase to decrease. These phenomena are attributable to solvation of monomeric benzoic acid by 1-octanol and 2-octanone molecules in each mixed solvent.

Prediction of Corrosion of Alloys in Mixed-Solvent Environments

Energy Technology Data Exchange (ETDEWEB)

Anderko, Andrzej [OLI Systems Inc. Morris Plains (United States); Wang, Peiming [OLI Systems Inc. Morris Plains (United States); Young, Robert D. [OLI Systems Inc. Morris Plains (United States); Riemer, Douglas P. [OLI Systems Inc. Morris Plains (United States); McKenzie, Patrice [OLI Systems Inc. Morris Plains (United States); Lencka, Malgorzata M. [OLI Systems Inc. Morris Plains (United States); Babu, Sudarsanam Suresh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Angelini, Peter [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2003-06-05

Corrosion is much less predictable in organic or mixed-solvent environments than in aqueous process environments. As a result, US chemical companies face greater uncertainty when selecting process equipment materials to manufacture chemical products using organic or mixed solvents than when the process environments are only aqueous. Chemical companies handle this uncertainty by overdesigning the equipment (wasting money and energy), rather than by accepting increased risks of corrosion failure (personnel hazards and environmental releases). Therefore, it is important to develop simulation tools that would help the chemical process industries to understand and predict corrosion and to develop mitigation measures. To create such tools, we have developed models that predict (1) the chemical composition, speciation, phase equilibria, component activities and transport properties of the bulk (aqueous, nonaqueous or mixed) phase that is in contact with the metal; (2) the phase equilibria and component activities of the alloy phase(s) that may be subject to corrosion and (3) the interfacial phenomena that are responsible for corrosion at the metal/solution or passive film/solution interface. During the course of this project, we have completed the following: (1) Development of thermodynamic modules for calculating the activities of alloy components; (2) Development of software that generates stability diagrams for alloys in aqueous systems; these diagrams make it possible to predict the tendency of metals to corrode; (3) Development and extensive verification of a model for calculating speciation, phase equilibria and thermodynamic properties of mixed-solvent electrolyte systems; (4) Integration of the software for generating stability diagrams with the mixed-solvent electrolyte model, which makes it possible to generate stability diagrams for nonaqueous or mixed-solvent systems; (5) Development of a model for predicting diffusion coefficients in mixed-solvent electrolyte

Thermodynamic properties of L-Theanine in different solvents

International Nuclear Information System (INIS)

Zhou, Fuli; Hou, Baohong; Tao, Xiaolong; Hu, Xiaoxue; Huang, Qiaoyin; Zhang, Zaixiang; Wang, Yongli; Hao, Hongxun

2017-01-01

Highlights: • The solubility data of L-Theanine in different solvents were measured by using an equilibrium method. • Several models were used to correlate the experimental solubility data. • The mixing thermodynamic properties were calculated. - Abstract: The solubility data of L-Theanine in pure water and three kinds of water + organic solvent mxitures were measured in temperature ranges from (278.15 to 13.15) K by using an equilibrium method. The results show that the solubility of L-Theanine increases with the increasing of temperature in all selected solvents. The modified Apelblat equation and the λ-h model were applied to correlate the solubility data in pure water, while the modified Apelblat equation, the λ-h model, the NRTL model and the Jouyban–Acree model were applied to correlate the solubility data in binary solvent mixtures. Furthermore, the mixing thermodynamic properties of L-Theanine in different solvents were also calculated based on the NRTL model and experimental solubility data.

Mixed Solvent Reactive Recrystallization of Sodium Carbonate

NARCIS (Netherlands)

Gaertner, R.S.

2005-01-01

Investigation of the reactive recrystallization of trona (sodium sesquicarbonate) and sodium bicarbonate to sodium carbonate (soda) in a mixed solvent led to the design of several alternative, less energy consumptive, economically very attractive process routes for the production of soda from all

Thermodynamics of Binary Mixed Crystals in the Sub-quasi-chemical/Debye Approximation

Science.gov (United States)

van der Kemp, W. J. M.; Verdonk, M. L.

1995-03-01

A new statistical model for the description of the thermodynamic properties of binary mixed crystals is discussed. The model is based on an asymmetrical analogue of the quasi-chemical approximation and the Debye model of a solid. With two interchange -energy parameters and two interchange-Debye-temperature parameters, all important thermodynamic functions, at constant volume, of the binary mixed crystal can be calculated as a function of temperature and composition. The binary system {( 1 - x)Nai + xKI}(s) is used for illustration of the model.

Selective nonspecific solvation under dielectric saturation and fluorescence spectra of dye solutions in binary solvents.

Science.gov (United States)

Bakhshiev, N G; Kiselev, M B

1991-09-01

The influence of selective nonspecific solvation on the fluorescence spectra of three substitutedN-methylphthalimides in a binary solvent system consisting of a nonpolar (n-heptane) and a polar (pyridine) component has been studied under conditions close to dielectric saturation. The substantially nonlinearity of the effect is confirmation that the spectral shifts of fluorescence bands depend on the number of polar solvent molecules involved in solvating the dye molecule. The measured fluorescence spectral shifts determined by substituting one nonpolar solvent molecula with a polar one in the proximity of the dye molecule agree quantitatively with the forecasts of the previously proposed semiempirical theory which describes this nonlinear solvation phenomenon.

Equilibrium disorders in workers exposed to mixed solvents.

Science.gov (United States)

Giorgianni, Concetto; Tanzariello, Mariagiuseppina; De Pasquale, Domenico; Brecciaroli, Renato; Spatari, Giovanna

2018-02-06

Organic solvents cause diseases of the vestibular system. However, little is known regarding the correlation between vestibular damage and exposure to organic solvents below threshold limit values. The best measure by which to evaluate vestibular disorders is static and dynamic posturography. The aim of this study was to evaluate equilibrium disorders via static and dynamic posturography in workers without clear symptoms and exposed to low doses of mixed solvents. 200 subjects were selected. Using an Otometrics device (Madsen, Denmark), all subjects endured static and dynamic posturography testing with both eyes-open and eyes-closed conditions. Results were compared with a control group of unexposed individuals. Based on the obtained data, the following results can be drawn: (a) subjects exposed to mixtures of solvents show highly significant differences regarding all static and dynamic posturography parameters in comparison to the control group; (b) posturography testing has proven to be a valid means by which to detect subliminal equilibrium disorders in subjects exposed to solvents. We can confirm that refinery workers exposed to mixtures of solvents can present subliminal equilibrium disorders. Early diagnosis of the latter is made possible by static and dynamic posturography.

Stability studies of colloidal silica dispersions in binary solvent mixtures

International Nuclear Information System (INIS)

Bean, Keith Howard

1997-01-01

A series of monodispersed colloidal silica dispersions, of varying radii, has been prepared. These particles are hydrophilic in nature due to the presence of surface silanol groups. Some of the particles have been rendered hydrophobic by terminally grafting n-alkyl (C 18 ) chains to the surface. The stability of dispersions of these various particles has been studied in binary mixtures of liquids, namely (i) ethanol and cyclohexane, and (ii) benzene and n-heptane. The ethanol - cyclohexane systems have been studied using a variety of techniques. Adsorption excess isotherms have been established and electrophoretic mobility measurements have been made. The predicted stability of the dispersions from D.V.L.O. calculations is compared to the observed stability. The hydrophilic silica particles behave as predicted by the calculations, with the zeta potential decreasing and the van der Waals attraction increasing with increasing cyclohexane concentration. The hydrophobic particles behave differently than expected, and the stability as a function of solvent mixture composition does not show a uniform trend. The effect of varying the coverage of C 18 chains on the surface and the effect of trace water in the systems has also been investigated. Organophilic silica dispersions in benzene - n-heptane solvent mixtures show weak aggregation and phase separation into a diffuse 'gas-like' phase and a more concentrated 'liquid-like' phase, analogous to molecular condensation processes. Calculations of the van der Waals potential as a function of solvent mixture composition show good agreement with the observed stability. Determination of the number of particles in each phase at equilibrium allows the energy of flocculation to be determined using a simple thermodynamic relationship. Finally, the addition of an AB block copolymer to organophilic silica particles in benzene n-heptane solvent mixtures has been shown to have a marked effect on the dispersion stability. This stability

Investigations on the role of mixed-solvent for improved efficiency in perovskite solar cell

Science.gov (United States)

Singh, Ranbir; Suranagi, Sanjaykumar R.; Kumar, Manish; Shukla, Vivek Kumar

2017-12-01

The morphology of the spin-coated photoactive layer is one of the major factors affecting the performance of perovskite solar cells. In this work, we have employed a mixed-solvent strategy to obtain a high quality MAPbI3 (MA = CH3NH3) perovskite film, without pinholes and reduced grain boundaries. Perovskite films formed with single and mixed-solvents are systematically characterized for their optical, structural, and morphological properties using UV-vis absorption, photoluminescence (PL), X-ray diffraction (XRD), atomic force microscopy (AFM), and scanning electron microscopy (SEM) tools. The power conversion efficiency (PCE) of the devices fabricated using the mixed-solvent showed better performance than the devices made using the single solvent. The best-optimized mixed-solvent perovskite film exhibited a PCE of 15.2% with uniform film coverage on the substrate, better charge generation, and a high hole mobility of 1.16 × 10-4cm2/V s. The disparities in photovoltaic properties have been analyzed with the intensity dependent current density-voltage (J-V), transient photovoltage (TPV), and relationship between photocurrent (Jph) and effective voltage (Veff).

Explosive treatment of Illinois No.6 coal with a mixed solvent of water and cyclohexanol; Mizu-cyclohexanol kongo yozai ni yoru Illinois tan no bakusai shori

Energy Technology Data Exchange (ETDEWEB)

Hashimoto, T.; Takada, H.; Asami, K.; Yano, M. [Osaka City University, Osaka (Japan). Faculty of Engineering

1996-10-28

Coal was treated at high temperature under high pressure in the binary system mixed solvent of water and organic solvent, and the solvent treated coal was liquefied. When the treated coal was treated again by the explosive method in which high temperature and pressure were released immediately, the oil yield was higher than that by the normal method in which high temperature and pressure were reduced gradually to room temperature and atmospheric pressure. In this study, an explosive treatment unit with increased scale of sample amount was newly fabricated. Illinois No.6 coal was treated by the explosive method in a mixed solvent of water and cyclohexanol using this unit. Changes in shape on the surface, specific surface area, and functional groups were analyzed. The explosively treated coal contained more amount of low boiling point components than the normally treated coal. It was suggested that the oil yield of explosively treated coal increased due to the liquefaction of these components during the successive hydrogenation process. For the explosively treated coal, micro pores were fractured by the rapid change in the volume of solvent molecules, and the specific surface area was smaller than that of the normally treated coal. When the treatment temperature was increased from 300{degree}C to 350{degree}C, specific surface areas of both the treated coals increased. 2 refs., 3 figs., 2 tabs.

Binary and ternary VLE of the 2-(diethylamino)-ethanol (DEEA)/ 3-(methylamino)-propylamine (MAPA)/ water system

DEFF Research Database (Denmark)

Hartono, Ardi; Saleem, Fahad; Waseem Arshad, Muhammad

2013-01-01

A mixed 2-(diethylamino)-ethanol (DEEA) and 3-(methylamino)-propylamine (MAPA) system could be an attractive alternative solvent to improve the performance of CO2 capture for low partial pressure cases. This solvent has the advantages of forming two liquid phases upon CO2 loading, one rich in CO2......-T-x-y, activity coefficient, excess enthalpy and freezing point depression for both the binary and ternary systems. However, a small inconsistency was observed between water activity coefficients determined from ebulliometer and freezing point depression measurements.......A mixed 2-(diethylamino)-ethanol (DEEA) and 3-(methylamino)-propylamine (MAPA) system could be an attractive alternative solvent to improve the performance of CO2 capture for low partial pressure cases. This solvent has the advantages of forming two liquid phases upon CO2 loading, one rich in CO2...... understand this system in designing the separation unit requires substantial work on characterization of the solvent. One important aspect is to provide equilibrium data. In this work new ebulliometric VLE data for the binary DEEA/H2O and DEEA/MAPA systems and the ternary DEEA/MAPA/H2O system are reported...

Separation of rare earth metal using micro solvent extraction system

International Nuclear Information System (INIS)

Nishihama, S.; Tajiri, Y.; Yoshizuka, K.

2005-01-01

A micro solvent extraction system for the separation of rare earth metals has been investigated. The micro flow channel was fabricated on a PMMA plate. Extraction equilibrium was quickly achieved, without any mechanical mixing. The solvent extraction results obtained for the Pr/Sm binary solutions revealed that both rare earth metals are firstly extracted together. Following, the Pr is extracted in the organic solution and Sm remains in the aqueous phase. The phase separation can be successively achieved by contriving the cross section of the flow channel

Energetics of binary mixed culture of Pseudomonas aeruginosa and ...

African Journals Online (AJOL)

Bioenergetic analysis of the growth of the binary mixed culture (Pseudomonas aeruginosa and Pseudomonas fluorescence) on phenol chemostat culture was carried out. The data were checked for consistency using carbon and available electron balances. When more than the minimum number of variables are measured, ...

Examination of the role of CS{sub 2} in the CS{sub 2}/NMP mixed solvents to coal extraction

Energy Technology Data Exchange (ETDEWEB)

Shui, Hengfu; Wang, Zhicai [School of Chemistry and Chemical Engineering, Anhui University of Technology, 243002 Maanshan Anhui (China); Gao, Jinsheng [Department of Energy Resources and Chemical Engineering, East China University of Science & amp; Technology, 200237 Shanghai (China)

2006-02-15

The roles of CS{sub 2} in the CS{sub 2}/NMP mixed solvent to coal extraction and solubilization were investigated in this study. There was little effect of removing of CS{sub 2} from the solutions on the solubilities of UF coal extract and pyridine insoluble (PI) of the extract in the NMP/CS{sub 2} mixed solvent, suggesting that NMP has high enough solubilities to the UF coal extract and PI. Six Argonne different rank coals were extracted with the CS{sub 2}/NMP mixed solvent and NMP, respectively. It was found that the extraction yield difference between NMP and CS{sub 2}/NMP mixed solvent for UF coal is largely deviated from the curve obtained for the other 5 coals, suggesting that the pre-swelling of CS{sub 2} in the mixed solvent may be one of important roles for high extraction yield of UF coal in the CS{sub 2}/NMP mixed solvent. FTIR indicated that there was a strong interaction between CS{sub 2} and NMP in the CS{sub 2}/NMP mixed solvent of 1:1 volume ratio, which made the strong absorbance at 2156 cm{sup -1} in the FTIR spectra, and this interaction may disrupt the dipole based association of NMP thus making the CS{sub 2}/NMP mixed solvent lower viscosity, to penetrate more quickly into the network structure of coal, resulting in the larger solvent partner (NMP) to enter and break the stronger coal-coal interactions. (author)

Nanostructured Mn-Fe Binary Mixed Oxide: Synthesis, Characterization and Evaluation for Arsenic Removal.

Science.gov (United States)

Pillewan, Pradnya; Mukherjee, Shrabanti; Bansiwal, Amit; Rayalu, Sadhana

2014-07-01

Adsorption of arsenic on bimetallic Mn and Fe mixed oxide was carried out using both field as well as simulated water. The material was synthesized using hydrothermal method and characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM). Langmuir and Freundlich adsorption isotherms were computed using batch adsorption studies to determine the adsorption capacity of Mn-Fe binary mixed oxide for arsenic. Adsorption capacity for MFBMO obtained from Freundlich model was found to be 2.048 mg/g for simulated water and 1.084 mg/g for field water. Mn-Fe binary mixed oxide was found to be effective adsorbent for removal of arsenic from water.

Conductance Studies on Complex Formation between c-Methylcalix[4]resorcinarene and Titanium (III in Acetonitrile-H2O Binary Solutions

Directory of Open Access Journals (Sweden)

Naghmeh Saadati

2013-09-01

Full Text Available Calixresorcinarenes have proved to be unique molecules for molecular recognition via hydrogen bonding, hydrophobic and ionic interactions with suitable substrates such as cations. The study of the interactions involved in the complexation of different cations with calixresorcinarenes in solvent mixtures is important for a better understanding of the mechanism of biological transport, molecular recognition, and other analytical applications. This article summarizes different aspects of the complexes of the Ti3+ metal cation with c-methylcalix[4]resorcinarene (CMCR as studied by conductometry in acetonitrile (AN–water (H2O binary mixtures at different temperatures. Conductance data show that the metal cation/ligand (ML stoichiometry of the complexes in solution is 1:1 in all cases. Non-linear behaviour was observed for the variation of logKf of the complexes vs. the composition of the binary solvent mixtures. Selectivity of CMCR for the Ti3+ cation is sensitive to solvent composition; in some cases and at certain compositions of the mixed solvent systems, the selectivity order is changed. Values of thermodynamic parameters (, for formation of the CMCR–Ti3+ complexes in AN–H2O binary systems were obtained from the temperature dependence of stability constants, and the results show that the thermodynamics of complexation reactions are affected by the nature and composition of the mixed solvents.

Applicability of effective fragment potential version 2 - Molecular dynamics (EFP2-MD) simulations for predicting excess properties of mixed solvents

Science.gov (United States)

Kuroki, Nahoko; Mori, Hirotoshi

2018-02-01

Effective fragment potential version 2 - molecular dynamics (EFP2-MD) simulations, where the EFP2 is a polarizable force field based on ab initio electronic structure calculations were applied to water-methanol binary mixture. Comparing EFP2s defined with (aug-)cc-pVXZ (X = D,T) basis sets, it was found that large sets are necessary to generate sufficiently accurate EFP2 for predicting mixture properties. It was shown that EFP2-MD could predict the excess molar volume. Since the computational cost of EFP2-MD are far less than ab initio MD, the results presented herein demonstrate that EFP2-MD is promising for predicting physicochemical properties of novel mixed solvents.

MICROEMULSION OF MIXED CHLORINATED SOLVENTS USING FOOD GRADE (EDIBLE) SURFACTANTS

Science.gov (United States)

Ground water contamination frequently consists of mixed chlorinated solvents [e.g., tetrachloroethylene (PCE), trichloroethylene (TCE), and trans-1,2- dichloroethylene (DCE)]. In this research, mixtures of the food grade (edible) surfactants bis(2-ethylhexyl) sodium sulfosuccinat...

Determination and modeling of the solubility of (limonin in methanol or acetone + water) binary solvent mixtures at T = 283.2 K to 318.2 K

International Nuclear Information System (INIS)

Fan, Jie-Ping; Zheng, Bing; Liao, Dan-Dan; Yu, Jia-Xin; Cao, Ya-Hui; Zhang, Xue-Hong; Zhu, Jian-Hang

2016-01-01

Highlights: • The solubilities of limonin were measured in the binary solvent mixtures methanol + water and acetone + water. • The solubility data were correlated by nine models. • The solubility of limonin had a maximum point at 0.9 mol fraction of acetone in acetone + water mixtures. - Abstract: The solubility of limonin in the binary solvent mixtures (methanol + water) and (acetone + water) with various initial mole fractions of methanol or acetone was measured by high-performance liquid chromatography (HPLC) at different temperatures ranging from 283.2 K to 318.2 K. The solubility of limonin increased with increasing initial mole fraction of methanol in (methanol + water) mixtures, whereas it had a maximum point at 0.9 mol fraction of acetone in (acetone + water) mixtures. The solubility of limonin increased with increasing temperature in the two binary solvent mixtures. The solubility of limonin was correlated with temperature by the van’t Hoff model and the modified Apelblat model, and the fitting results showed that the modified Apelblat model had better correlation. The CNIBS/Redlich–Kister model and the simplified CNIBS/Redlich–Kister model were used to correlate the solubility data with the initial solvent composition, the results show that the CNIBS/Redlich–Kister model reveals better agreement with the experimental values. Furthermore, to illustrate the effects of both temperature and initial solvent composition on the changes in the solubility of limonin, the solubility values were fitted by the Jouyban–Acree, van’t Hoff–Jouyban–Acree, modified Apelblat–Jouyban–Acree, Ma and Sun models. Among the five models, the Jouyban–Acree model give the best correlation results for (methanol + water) binary solvent mixtures, while the experimental solubility in the (acetone + water) system was most accurately correlated by the van’t Hoff–Jouyban–Acree model.

Phase behaviour in binary mixed Langmuir-Blodgett monolayers of triglycerides

NARCIS (Netherlands)

Zdravkova, A.N.; van der Eerden, J.P.J.M.

2007-01-01

Binary mixed monolayers of the triglycerides (TAGs)-tripalmitin (PPP), tristearin (SSS) and triarachidin (AAA) at the air–water interface are investigated with the Langmuir method. Langmuir–Blodgett (LB) layers obtained by deposition on mica are investigated by Atomic Force Microscopy. Combining

133Cs NMR study of Cs+ ion complexes with dibenzo-21-crown-7 and dibenzo-24-crown-8 in some mixed solvents

International Nuclear Information System (INIS)

Rounaghi, G.; Popov, A.I.

1986-01-01

Complexation of the cesium ion with macrocyclic ligands, dibenzo-21-crown-7 and dibenzo-24-crown-8, was studied in binary solvent mixtures of dimethylsulfoxide with acetone, acetonitrile, propylene carbonate, pyridine and hexamethylphosphoramide (HMPA) as well as in pyridine-methanol mixtures. In the first four binary mixtures the complexation constants increased with decreasing amounts of dimethylsulfoxide (DMSO), the trend is reversed in the DMSO-HMPA system. In all of the above cases, the variation of the stability constant with composition was monotonic and showed good correlation with the inherent solvating ability of the neat solvents which form the mixture. In the pyridine-methanol system, however, for both complexes, the log Ksub(f) vs composition plots show several changes in direction. This behavior is probably due to a change in the structure of this binary solvent as the composition of the medium is varied. (author)

Measurement and correlation of solubility of xylitol in binary water+ethanol solvent mixtures between 278.00 K and 323.00K

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhanzhong; Wang, Qian; Liu, Xiangshan; Fang, Wenzhi; Li, Yan; Xiao, Huazhi [Tianjin University, Tianjin (China)

2013-04-15

The solubility of xylitol in ethanol+water solvent mixtures was measured at temperatures ranging from 278.00 K to 323.00 K at atmospheric pressure by using a laser technique. The results of these measurements were correlated by the combined nearly ideal binary solvent CNIBS/Redlich-Kister equation. The experimental solubility and correlation equation in this work can be used as essential data and models in the purification process of xylitol. The variant 2 in the CNIBS/R-K models was confirmed to be more adaptable to predict solubility of xylitol in binary ethanol+water system. Using the experimentally measured solubilities, the thermodynamic properties of dissolution of xylitol, such as Gibbs energy, molar enthalpy of dissolution, and molar entropy of dissolution, were calculated.

Thin-layer chromatography of 49 metal ions on stannic antimonate in aqueous and mixed solvent systems containing dimethylsulfoxide: quantitative separation of uranium from numerous metal ions

International Nuclear Information System (INIS)

Qureshi, M.; Varshney, K.G.; Rajput, R.P.S.

1976-01-01

Thin-layer chromatography of 40 metal ions in 31 aqueous and mixed solvent systems has been performed on stannic antimonate ion-exchange material. Dimethylsulfoxide has been utilized to resolve such binary mixtures as La 3+ and Ce 3+ from Pr 3+ , Nd 3+ , and Sm 3+ ; VO 2+ from Ti 4+ , Nb 5+ , and Ta 5+ ; Ga 3+ from In 3+ , Tl + , and Y 3+ ; Fe 3+ from VO 2+ ; and Mg 2+ from Al 3+ . Quantitative separation of 200 to 800 μg U from its binary mixtures and from the synthetic mixtures containing Mg 2+ , Bi 3+ , Fe 3+ , Th 4+ , Ce 4+ , Cr 3+ , Zr 4+ , Hf 4+ , Ti 4+ Mn 2+ , Cu 2+ , Ce 3+ , In 3+ , Y 3+ , Ca 2+ , Co 2+ , Tl + , Nb 5+ , and Ag + has been obtained

Efficient and robust estimation for longitudinal mixed models for binary data

DEFF Research Database (Denmark)

Holst, René

2009-01-01

This paper proposes a longitudinal mixed model for binary data. The model extends the classical Poisson trick, in which a binomial regression is fitted by switching to a Poisson framework. A recent estimating equations method for generalized linear longitudinal mixed models, called GEEP, is used...... as a vehicle for fitting the conditional Poisson regressions, given a latent process of serial correlated Tweedie variables. The regression parameters are estimated using a quasi-score method, whereas the dispersion and correlation parameters are estimated by use of bias-corrected Pearson-type estimating...... equations, using second moments only. Random effects are predicted by BLUPs. The method provides a computationally efficient and robust approach to the estimation of longitudinal clustered binary data and accommodates linear and non-linear models. A simulation study is used for validation and finally...

Potentiometric investigations of (acid+base) equilibria in (n-butylamine+acetic acid) systems in binary (acetone+cyclohexane) solvent mixtures

International Nuclear Information System (INIS)

Czaja, MaIgorzata; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech

2005-01-01

By using the potentiometric titration method, standard equilibrium constants have been determined of acid dissociation of molecular acid, K a (HA), cationic acid, K a (BH + ), of anionic and cationic homoconjugation, K AHA - andK BHB + , respectively, and of molecular heteroconjugation, K AHB (K BHA ), in (acid+base) systems without proton transfer consisting of n-butylamine and acetic acid in binary (acetone+cyclohexane) solvent mixtures. The results have shown that both the pK a (HA) and pK a (BH + ), as well as lgK AHA - values change non-linearly as a function of composition of the solvent mixture. On the other hand, standard molecular heteroconjugation constants without proton transfer do not depend on the cyclohexane content in the mixture, i.e. on solvent polarity

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

DEFF Research Database (Denmark)

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

2009-01-01

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

Synthesis of MgO Nanoparticles by Solvent Mixed Spray Pyrolysis Technique for Optical Investigation

OpenAIRE

Nemade, K. R.; Waghuley, S. A.

2014-01-01

Solvent mixed spray pyrolysis technique has attracted a global interest in the synthesis of nanomaterials since reactions can be run in liquid state without further heating. Magnesium oxide (MgO) is a category of the practical semiconductor metal oxides, which is extensively used as catalyst and optical material. In the present study, MgO nanoparticles were successfully synthesized using a solvent mixed spray pyrolysis. The X-ray diffraction pattern confirmed the formation of MgO phase with a...

Physico-chemical properties of binary mixtures of aliphatic and aromatic solvents at 313 K on acoustical data

Science.gov (United States)

Dahire, S. L.; Morey, Y. C.; Agrawal, P. S.

2015-12-01

Density (ρ), viscosity (η), and ultrasonic velocity ( U) of binary mixtures of aliphatic solvents like dimethylformamide (DMF) and dimethylsulfoxide (DMSO) with aromatic solvents viz. chlorobenzene (CB), bromobenzene (BB), and nitrobenzene (NB) have been determined at 313 K. These parameters were used to calculate the adiabatic compressibility (β), intermolecular free length ( L f), molar volume ( V m), and acoustic impedance ( Z). From the experimental data excess molar volume ( V m E ), excess intermolecular free length ( L f E )), excess adiabatic compressibility (βE), and excess acoustic impedance ( Z E) have been computed. The excess values were correlated using Redlich-Kister polynomial equation to obtain their coefficients and standard deviations (σ).

A Study of Parameters Affecting the Solvent Extraction-Flocculation Process of Used Lubricating Oil

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Hussein Qasim Hussein

2017-06-01

Full Text Available The aim of this study was to investigate the effect of operating variables on, the percentage of removed sludge (PSR obtained during re-refining of 15W-40 Al-Durra spent lubricant by solvent extraction-flocculation treatment method. Binary solvents were used such as, Heavy Naphtha (H.N.: MEK (N:MEK, H.N. : n-Butanol (N:n-But, and H.N. : Iso-Butanol (N:Iso:But. The studied variables were mixing speed (300-900, rpm, mixing time (15-60, min, and operating temperature (2540, oC. This study showed that the studied operating variables have effects where, increasing the mixing time up to 45 min for H.N.: MEK, H.N.: n-Butanol and 30 min for H.N.: Iso-Butanol increased the PSR, after that percentage was decreased; increasing the mixing speed for all the studied solvents up to 700 rpm increased the PSR, after that the percentage was decreased, while increasing the operating temperature decreased the PSR for all the solvents. This study has resulted in reasonably accurate multivariate process correlation that relates the removed sludge percentage to the process variables. The determination coefficients (

Effect of Contemporary Exposure to Mixed Organic Solvents and Occupational Noise on Hearing Thresholds of Workers

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Attarchi Mir Saeid

2010-03-01

Full Text Available Background: Mixed organic solvent exposure, as well as noise, has a wide spread in different industries. In recent years it has been propounded that simultaneous exposure to mixed organic solvents and occupational noise can establish a hearing loss that is more severe than hearing loss due to exposure to each of them separately.Materials & Methods: A descriptive- analytic study was conducted during 2008 in an automobile industry on 441 employees in three different groups. First group were assembly workers that only exposed to noise. The second group included employees in new painting saloon that exposed not only to noise but also to permissible levels of mixed organic solvents and the third group were employees in old painting saloon that exposed to noise and mixed organic solvents in more than threshold limit value (TLV level. The prevalence of hearing loss was compared between three groups on the basis of model 1 (mean hearing threshold in frequencies 0.5, 1 and 2 KHz more than 25dB and model 2 (mean hearing threshold in frequencies 3, 4, 6 and 8 KHz more than 25dB. Results: According to model 2, in workers exposed to noise in addition to mixed organic solvents, the rate of hearing loss, was significantly higher than workers exposed to noise alone (P<0.05, even after adjusting for confounding variables using logistic regression analysis (OR= 4.12 , P<0.001.Conclusion: In workers with simultaneous exposure to mixed organic solvents and noise, special attention must be paid to accurate accomplishment of hearing conservation programs including doing audiometric exams in shorter periods and take advantage of hearing protection devices with higher noise reduction rate (NRR.

Interaction of organic solvent with a subbituminous coal below pyrolysis temperature

Energy Technology Data Exchange (ETDEWEB)

Lindsey, D.; Grens, E.A.

1978-06-01

The interactions of a subbituminous coal with certain binary organic solvent mixtures have been studied at 250/sup 0/C. Mixtures of pyridine, quinoline, piperidine, tetrahydroquinoline, and ethylenediamine with either toluene or tetralin were contacted with coal in a successive batch, stirred reactor, the extractions being carried to near completion. Two distinct behaviors of extraction yield as a function of composition have been identified. In the majority of the solvent mixtures the extraction yield increases linearly with increasing concentration of the more active solvent. When the active solvent is ethylenediamine, however, the extraction yield increases rapidly when small concentrations of ethylenediamine are used but then levels out close to its maximum value in a 50 to 50 mix. This behavior is an indication that, except in the case of ethylenediamine, the activity of solvent mixtures is a function of bulk solution properties.

/sup 133/Cs NMR study of Cs/sup +/ ion complexes with dibenzo-21-crown-7 and dibenzo-24-crown-8 in some mixed solvents

Energy Technology Data Exchange (ETDEWEB)

Rounaghi, G.; Popov, A.I.

1986-01-01

Complexation of the cesium ion with macrocyclic ligands, dibenzo-21-crown-7 and dibenzo-24-crown-8, was studied in binary solvent mixtures of dimethylsulfoxide with acetone, acetonitrile, propylene carbonate, pyridine and hexamethylphosphoramide (HMPA) as well as in pyridine-methanol mixtures. In the first four binary mixtures the complexation constants increased with decreasing amounts of dimethylsulfoxide (DMSO), the trend is reversed in the DMSO-HMPA system. In all of the above cases, the variation of the stability constant with composition was monotonic and showed good correlation with the inherent solvating ability of the neat solvents which form the mixture. In the pyridine-methanol system, however, for both complexes, the log Ksub(f) vs composition plots show several changes in direction. This behavior is probably due to a change in the structure of this binary solvent as the composition of the medium is varied.

Numerical modeling of two-phase binary fluid mixing using mixed finite elements

KAUST Repository

Sun, Shuyu

2012-07-27

Diffusion coefficients of dense gases in liquids can be measured by considering two-phase binary nonequilibrium fluid mixing in a closed cell with a fixed volume. This process is based on convection and diffusion in each phase. Numerical simulation of the mixing often requires accurate algorithms. In this paper, we design two efficient numerical methods for simulating the mixing of two-phase binary fluids in one-dimensional, highly permeable media. Mathematical model for isothermal compositional two-phase flow in porous media is established based on Darcy\\'s law, material balance, local thermodynamic equilibrium for the phases, and diffusion across the phases. The time-lag and operator-splitting techniques are used to decompose each convection-diffusion equation into two steps: diffusion step and convection step. The Mixed finite element (MFE) method is used for diffusion equation because it can achieve a high-order and stable approximation of both the scalar variable and the diffusive fluxes across grid-cell interfaces. We employ the characteristic finite element method with moving mesh to track the liquid-gas interface. Based on the above schemes, we propose two methods: single-domain and two-domain methods. The main difference between two methods is that the two-domain method utilizes the assumption of sharp interface between two fluid phases, while the single-domain method allows fractional saturation level. Two-domain method treats the gas domain and the liquid domain separately. Because liquid-gas interface moves with time, the two-domain method needs work with a moving mesh. On the other hand, the single-domain method allows the use of a fixed mesh. We derive the formulas to compute the diffusive flux for MFE in both methods. The single-domain method is extended to multiple dimensions. Numerical results indicate that both methods can accurately describe the evolution of the pressure and liquid level. © 2012 Springer Science+Business Media B.V.

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

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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.

Mixed organic solvents induce renal injury in rats.

Science.gov (United States)

Qin, Weisong; Xu, Zhongxiu; Lu, Yizhou; Zeng, Caihong; Zheng, Chunxia; Wang, Shengyu; Liu, Zhihong

2012-01-01

To investigate the injury effects of organic solvents on kidney, an animal model of Sprague-Dawley (SD) rats treated with mixed organic solvents via inhalation was generated and characterized. The mixed organic solvents consisted of gasoline, dimethylbenzene and formaldehyde (GDF) in the ratio of 2:2:1, and were used at 12,000 PPM to treat the rats twice a day, each for 3 hours. Proteinuria appeared in the rats after exposure for 5-6 weeks. The incidences of proteinuria in male and female rats after exposure for 12 weeks were 43.8% (7/16) and 25% (4/16), respectively. Urinary N-Acetyl-β-(D)-Glucosaminidase (NAG) activity was increased significantly after exposure for 4 weeks. Histological examination revealed remarkable injuries in the proximal renal tubules, including tubular epithelial cell detachment, cloud swelling and vacuole formation in the proximal tubular cells, as well as proliferation of parietal epithelium and tubular reflux in glomeruli. Ultrastructural examination found that brush border and cytoplasm of tubular epithelial cell were dropped, that tubular epithelial cells were partially disintegrated, and that the mitochondria of tubular epithelial cells were degenerated and lost. In addition to tubular lesions, glomerular damages were also observed, including segmental foot process fusion and loss of foot process covering on glomerular basement membrane (GBM). Immunofluorescence staining indicated that the expression of nephrin and podocin were both decreased after exposure of GDF. In contrast, increased expression of desmin, a marker of podocyte injury, was found in some areas of a glomerulus. TUNEL staining showed that GDF induced apoptosis in tubular cells and glomerular cells. These studies demonstrate that GDF can induce both severe proximal tubular damage and podocyte injury in rats, and the tubular lesions appear earlier than that of glomeruli.

Mixed organic solvents induce renal injury in rats.

Directory of Open Access Journals (Sweden)

Weisong Qin

Full Text Available To investigate the injury effects of organic solvents on kidney, an animal model of Sprague-Dawley (SD rats treated with mixed organic solvents via inhalation was generated and characterized. The mixed organic solvents consisted of gasoline, dimethylbenzene and formaldehyde (GDF in the ratio of 2:2:1, and were used at 12,000 PPM to treat the rats twice a day, each for 3 hours. Proteinuria appeared in the rats after exposure for 5-6 weeks. The incidences of proteinuria in male and female rats after exposure for 12 weeks were 43.8% (7/16 and 25% (4/16, respectively. Urinary N-Acetyl-β-(D-Glucosaminidase (NAG activity was increased significantly after exposure for 4 weeks. Histological examination revealed remarkable injuries in the proximal renal tubules, including tubular epithelial cell detachment, cloud swelling and vacuole formation in the proximal tubular cells, as well as proliferation of parietal epithelium and tubular reflux in glomeruli. Ultrastructural examination found that brush border and cytoplasm of tubular epithelial cell were dropped, that tubular epithelial cells were partially disintegrated, and that the mitochondria of tubular epithelial cells were degenerated and lost. In addition to tubular lesions, glomerular damages were also observed, including segmental foot process fusion and loss of foot process covering on glomerular basement membrane (GBM. Immunofluorescence staining indicated that the expression of nephrin and podocin were both decreased after exposure of GDF. In contrast, increased expression of desmin, a marker of podocyte injury, was found in some areas of a glomerulus. TUNEL staining showed that GDF induced apoptosis in tubular cells and glomerular cells. These studies demonstrate that GDF can induce both severe proximal tubular damage and podocyte injury in rats, and the tubular lesions appear earlier than that of glomeruli.

THE INFLUENCE OF THE SOLVENT ON THE THERMODYNAMICS OF ION ASSOCIATION

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Vitalii Chumak

2011-03-01

Full Text Available Abstract. Some approaches which allow to divide thermodynamic functions of the ion associationprocess in two components have been developed. The first component belongs to the process, the second oneis caused by the temperature dependence of the dielectric permittivity of the solvent. The theory is confirmedby numerous examples of the ion association process of different electrolytes in the binary mixed solvents.Keywords: covalent part of the constant of ionic association, electrostatic part of the constant of ionicassociation, enthalpy of the chemical equilibria in solution, enthropy of the chemical equilibria in solution,ionic association, ionic equilibrias, the equilibrium constant.

Potentiometric investigations of (acid+base) equilibria in (n-butylamine+acetic acid) systems in binary (acetone+cyclohexane) solvent mixtures

Energy Technology Data Exchange (ETDEWEB)

Czaja, MaIgorzata [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Kozak, Anna [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Makowski, Mariusz [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Chmurzynski, Lech [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)]. E-mail: lech@chem.univ.gda.pl

2005-08-15

By using the potentiometric titration method, standard equilibrium constants have been determined of acid dissociation of molecular acid, K{sub a}(HA), cationic acid, K{sub a}(BH{sup +}), of anionic and cationic homoconjugation, K{sub AHA{sup -}}andK{sub BHB{sup +}}, respectively, and of molecular heteroconjugation, K{sub AHB} (K{sub BHA}), in (acid+base) systems without proton transfer consisting of n-butylamine and acetic acid in binary (acetone+cyclohexane) solvent mixtures. The results have shown that both the pK{sub a}(HA) and pK{sub a}(BH{sup +}), as well as lgK{sub AHA{sup -}} values change non-linearly as a function of composition of the solvent mixture. On the other hand, standard molecular heteroconjugation constants without proton transfer do not depend on the cyclohexane content in the mixture, i.e. on solvent polarity.

Separation of lanthanides using micro solvent extraction system

International Nuclear Information System (INIS)

Nishihama, S.; Tajiri, Y.; Yoshizuka, K.

2006-01-01

A micro solvent extraction system for the separation of lanthanides has been investigated. The micro flow channel is fabricated on a poly(methyl methacrylate) (PMMA) plate, and solvent extraction progresses by feeding aqueous and organic solutions into the channel simultaneously. The extraction equilibrium is quickly achieved, without any mechanical mixing, when a narrow channel (100 μm width and 100 μm depth) is used. The results of solvent extraction from the Pr/Nd and Pr/Sm binary solutions revealed that both lanthanides are firstly extracted together, and then, the lighter lanthanide extracted in the organic solution alternatively exchanges to the heavier one in the aqueous solution to achieve the extraction equilibrium. The phase separation of the aqueous and organic phases after extraction can also be successively achieved by contriving the cross section of the flow channel, and the extractive separation of Pr/Sm is demonstrated. (authors)

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

Calculating excess volumes of binary solutions with allowance for structural differences between mixed components

Science.gov (United States)

Balankina, E. S.

2016-06-01

Analytical dependences of a volume's properties on the differences between the geometric structures of initial monosystems are obtained for binary systems simulated by a grain medium. The effect of microstructural parameter k (the ratio of volumes of molecules of mixed components) on the concentration behavior of the relative excess molar volume of different types of real binary solutions is analyzed. It is established that the contribution due to differences between the volumes of molecules and coefficients of the packing density of mixed components is ~80-100% for mutual solutions of n-alkanes and ~55-80% of the experimental value of the relative excess molar volume for water solutions of n-alcohols.

An adjoint-based framework for maximizing mixing in binary fluids

Science.gov (United States)

Eggl, Maximilian; Schmid, Peter

2017-11-01

Mixing in the inertial, but laminar parameter regime is a common application in a wide range of industries. Enhancing the efficiency of mixing processes thus has a fundamental effect on product quality, material homogeneity and, last but not least, production costs. In this project, we address mixing efficiency in the above mentioned regime (Reynolds number Re = 1000 , Peclet number Pe = 1000) by developing and demonstrating an algorithm based on nonlinear adjoint looping that minimizes the variance of a passive scalar field which models our binary Newtonian fluids. The numerical method is based on the FLUSI code (Engels et al. 2016), a Fourier pseudo-spectral code, which we modified and augmented by scalar transport and adjoint equations. Mixing is accomplished by moving stirrers which are numerically modeled using a penalization approach. In our two-dimensional simulations we consider rotating circular and elliptic stirrers and extract optimal mixing strategies from the iterative scheme. The case of optimizing shape and rotational speed of the stirrers will be demonstrated.

Excess Enthalpies of Mixing of Binary Mixtures of NaCl, KCl, NaBr ...

African Journals Online (AJOL)

NJD

2004-07-01

Jul 1, 2004 ... NaBr and KBr in Mixed Ternary Solvent Systems at 298.15 K. Bal Raj Deshwala* ... industrial waters and their thermodynamic properties are of practical interest for .... The enthalpy of mixing (∆Hm) is the difference between the excess enthalpy of the ..... tural (categorized by softness, open- ness, and ...

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.

PREDICTION OF THE MIXING ENTHALPIES OF BINARY LIQUID ALLOYS BY MOLECULAR INTERACTION VOLUME MODEL

Institute of Scientific and Technical Information of China (English)

H.W.Yang; D.P.Tao; Z.H.Zhou

2008-01-01

The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model (MIVM), which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted values are in agreement with the experimental data and then indicate that the model is reliable and convenient.

Tunable and rapid self-assembly of block copolymers using mixed solvent vapors.

Science.gov (United States)

Park, Woon Ik; Tong, Sheng; Liu, Yuzi; Jung, Il Woong; Roelofs, Andreas; Hong, Seungbum

2014-12-21

Pattern generation of well-controlled block copolymers (BCPs) with a high Flory-Huggins interaction parameter (χ) is important for applications in sub-20 nm nanolithography. We used mixed solvents of dimethylformamide (DMF) and toluene to control the morphology as well as the time to achieve the targeted morphology via self-assembly of BCPs. By precisely controlling the volume ratio of DMF and toluene, well-ordered line, honeycomb, circular hole, and lamellar nanostructures were obtained from a cylinder-forming poly(styrene-b-2-vinylpyridine) (PS-b-P2VP) BCP with high χ. Furthermore, a well-aligned 12 nm line pattern was successfully achieved in the guiding template within one minute using the mixed solvents. This practical method may also be applicable to self-assembly of other BCPs, providing more opportunities for the next-generation sub-10 nm lithography applications.

On the Origin of Microheterogeneity : Mass Spectrometric Studies of Acetonitrile-Water and Dimethyl Sulfoxide-Water Binary Mixtures (Part 2)

NARCIS (Netherlands)

Shin, Dong Nam; Wijnen, Jan W.; Engberts, Jan B.F.N.; Wakisaka, Akihiro

2002-01-01

The microscopic structures of acetonitrile-water and DMSO-water binary mixed solvents and their influence on the solvation for solutes (some alcohols and phenol) have been studied on the basis of the cluster structures observed through a specially designed mass spectrometer. In acetonitrile-water

Effect of water-methanol mixed solvents on the ultrasonic relaxation of cadmium acetate

International Nuclear Information System (INIS)

Sree Rama Murthy, J.; Ramachandra Rao, B.

1976-01-01

Measurements of ultrasonic absorption have been made by pulse technique in 1 M solutions of cadmium acetate with water-methanol mixed solvents. Results are analysed by assuming a single relaxation mechanism. The characteristic frequency of relaxation is found to decrease with increasing composition of methanol in the solvent. It is proposed that the mechanism of relaxation may be perturbation of chemical equilibrium between complex CdAc + ions and Cd ++ , Ac - species by soundwaves. (author)

Presidential Rapid Commercialization Initiative for mixed waste solvent extraction

International Nuclear Information System (INIS)

Honigford, L.; Dilday, D.; Cook, D.

1997-01-01

Recently, the Fernald Environmental Management Project (FEMP) has made some major steps in mixed waste treatment which have taken it closer to meeting final remediation goals. However, one major hurdle remains for the FEMP mixed waste treatment program, and that hurdle is tri-mixed waste. Tri-mixed is a term coined to describe low-level waste containing RCRA hazardous constituents along with polychlorinated biphenyls (PCB). The prescribed method for disposal of PCBs is incineration. In mixed waste treatment plans developed by the FEMP with public input, the FEMP committed to pursue non-thermal treatment methods and avoid the use of incineration. Through the SITE Program, the FEMP identified a non-thermal treatment technology which uses solvents to extract PCBs. The technology belongs to a small company called Terra-Kleen Response Group, Inc. A question arose as to how can this new and innovative technology be implemented by a small company at a Department of Energy (DOE) facility. The answer came in the form of the Rapid Commercialization Initiative (RCI) and the Mixed Waste Focus Area (MWFA). RCI is a program sponsored by the Department of commerce (DOC), DOE, Department of Defense (DOD), US EPA and various state agencies to aid companies to market new and innovative technologies

Electrostatic and capillary force directed tunable 3D binary micro- and nanoparticle assemblies on surfaces

International Nuclear Information System (INIS)

Singh, G; Pillai, S; Arpanaei, A; Kingshott, P

2011-01-01

We report a simple, rapid and cost-effective method based on evaporation induced assembly to grow 3D binary colloidal assemblies on a hydrophobic/hydrophilic substrate by simple drop casting. The evaporation of a mixed colloidal drop results in ring-like or uniform area deposition depending on the concentration of particles, and thus assembly occurs at the periphery of a ring or uniformly all over the drop area. Binary colloidal assemblies of different crystal structure are successfully prepared over a wide range of size ratios (γ = small/large) from 0.06 to 0.30 by tuning the γ of the micro- and nanoparticles used during assembly. The growth mechanism of 3D binary colloidal assemblies is investigated and it is found that electrostatic forces facilitate assembly formation until the end of the evaporation process, with capillary forces also playing a role. In addition, the effects of solvent type, humidity, and salt concentration on crystal formation and ordering behaviour are also examined. Furthermore, long range, highly ordered binary colloidal assemblies can be fabricated by the choice of a low conducting solvent combined with evaporation induced assembly.

Binary Solvents Dispersive Liquid-Liquid Microextraction (BS-DLLME) Method for Determination of Tramadol in Urine Using High-Performance Liquid Chromatography.

Science.gov (United States)

Kiarostami, Vahid; Rouini, Mohamad-Reza; Mohammadian, Razieh; Lavasani, Hoda; Ghazaghi, Mehri

2014-02-03

Tramadol is an opioid, synthetic analog of codeine and has been used for the treatment of acute or chronic pain may be abused. In this work, a developed Dispersive liquid liquid microextraction (DLLME) as binary solvents-based dispersive liquid-liquid microextraction (BS-DLLME) combined with high performance liquid chromatography (HPLC) with fluorescence detection (FD) was employed for determination of tramadol in the urine samples. This procedure involves the use of an appropriate mixture of binary extraction solvents (70 μL CHCl3 and 30 μL ethyl acetate) and disperser solvent (600 μL acetone) for the formation of cloudy solution in 5 ml urine sample comprising tramadol and NaCl (7.5%, w/v). After centrifuging, the small droplets of extraction solvents were precipitated. In the final step, the HPLC with fluorescence detection was used for determination of tramadol in the precipitated phase. Various factors on the efficiency of the proposed procedure were investigated and optimized. The detection limit (S/N = 3) and quantification limit (S/N = 10) were found 0.2 and 0.9 μg/L, respectively. The relative standard deviations (RSD) for the extraction of 30 μg L of tramadol was found 4.1% (n = 6). The relative recoveries of tramadol from urine samples at spiking levels of 10, 30 and 60 μg/L were in the range of 95.6 - 99.6%. Compared with other methods, this method provides good figures of merit such as good repeatability, high extraction efficiency, short analysis time, simple procedure and can be used as microextraction technique for routine analysis in clinical laboratories.

Solvent-molecule-mediated manipulation of crystalline grains for efficient planar binary lead and tin triiodide perovskite solar cells

Science.gov (United States)

Zhu, Leize; Yuh, Brian; Schoen, Stefan; Li, Xinpei; Aldighaithir, Mohammed; Richardson, Beau J.; Alamer, Ahmed; Yu, Qiuming

2016-03-01

Binary lead and tin perovskites offer the benefits of narrower band gaps for broader adsorption of solar spectrum and better charge transport for higher photocurrent density. Here, we report the growth of large, smooth crystalline grains of bianry lead and tin triiodide perovskite films via a two-step solution process with thermal plus solvent vapor-assisted thermal annealing. The crystalline SnxPb1-xI2 films formed in the first step served as the templates for the formation of crystalline CH3NH3SnxPb1-xI3 films during the second step interdiffusion of methylammonium iodide (MAI). Followed by dimethylsulfoxide (DMSO) vapor-assisted thermal annealing, small, faceted perovskite grains grew into large, smooth grains via the possible mechanism involving bond breaking and reforming mediated by DMSO solvent molecules. The absorption onset was extended to 950 and 1010 nm for the CH3NH3SnxPb1-xI3 perovskites with x = 0.1 and 0.25, respectively. The highest PCE of 10.25% was achieved from the planar perovskite solar cell with the CH3NH3Sn0.1Pb0.9I3 layer prepared via the thermal plus DMSO vapor-assisted thermal annealing. This research provides a way to control and manipulate film morphology, grain size, and especially the distribution of metal cations in binary metal perovskite layers, which opens an avenue to grow perovskite materials with desired properties to enhance device performance.Binary lead and tin perovskites offer the benefits of narrower band gaps for broader adsorption of solar spectrum and better charge transport for higher photocurrent density. Here, we report the growth of large, smooth crystalline grains of bianry lead and tin triiodide perovskite films via a two-step solution process with thermal plus solvent vapor-assisted thermal annealing. The crystalline SnxPb1-xI2 films formed in the first step served as the templates for the formation of crystalline CH3NH3SnxPb1-xI3 films during the second step interdiffusion of methylammonium iodide (MAI

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.

Control of Evaporation Behavior of an Inkjet-Printed Dielectric Layer Using a Mixed-Solvent System

Science.gov (United States)

Yang, Hak Soon; Kang, Byung Ju; Oh, Je Hoon

2016-01-01

In this study, the evaporation behavior and the resulting morphology of inkjet-printed dielectric layers were controlled using a mixed-solvent system to fabricate uniform poly-4-vinylphenol (PVP) dielectric layers without any pinholes. The mixed-solvent system consisted of two different organic solvents: 1-hexanol and ethanol. The effects of inkjet-printing variables such as overlap condition, substrate temperature, and different printing sequences (continuous and interlacing printing methods) on the inkjet-printed dielectric layer were also investigated. Increasing volume fraction of ethanol (VFE) is likely to reduce the evaporation rate gradient and the drying time of the inkjet-printed dielectric layer; this diminishes the coffee stain effect and thereby improves the uniformity of the inkjet-printed dielectric layer. However, the coffee stain effect becomes more severe with an increase in the substrate temperature due to the enhanced outward convective flow. The overlap condition has little effect on the evaporation behavior of the printed dielectric layer. In addition, the interlacing printing method results in either a stronger coffee stain effect or wavy structures of the dielectric layers depending on the VFE of the PVP solution. All-inkjet-printed capacitors without electrical short circuiting can be successfully fabricated using the optimized PVP solution (VFE = 0.6); this indicates that the mixed-solvent system is expected to play an important role in the fabrication of high-quality inkjet-printed dielectric layers in various printed electronics applications.

Binary Solvents Dispersive Liquid—Liquid Microextraction (BS-DLLME) Method for Determination of Tramadol in Urine Using High-Performance Liquid Chromatography

Science.gov (United States)

2014-01-01

Background Tramadol is an opioid, synthetic analog of codeine and has been used for the treatment of acute or chronic pain may be abused. In this work, a developed Dispersive liquid liquid microextraction (DLLME) as binary solvents-based dispersive liquid-liquid microextraction (BS-DLLME) combined with high performance liquid chromatography (HPLC) with fluorescence detection (FD) was employed for determination of tramadol in the urine samples. This procedure involves the use of an appropriate mixture of binary extraction solvents (70 μL CHCl3 and 30 μL ethyl acetate) and disperser solvent (600 μL acetone) for the formation of cloudy solution in 5 ml urine sample comprising tramadol and NaCl (7.5%, w/v). After centrifuging, the small droplets of extraction solvents were precipitated. In the final step, the HPLC with fluorescence detection was used for determination of tramadol in the precipitated phase. Results Various factors on the efficiency of the proposed procedure were investigated and optimized. The detection limit (S/N = 3) and quantification limit (S/N = 10) were found 0.2 and 0.9 μg/L, respectively. The relative standard deviations (RSD) for the extraction of 30 μg L of tramadol was found 4.1% (n = 6). The relative recoveries of tramadol from urine samples at spiking levels of 10, 30 and 60 μg/L were in the range of 95.6 – 99.6%. Conclusions Compared with other methods, this method provides good figures of merit such as good repeatability, high extraction efficiency, short analysis time, simple procedure and can be used as microextraction technique for routine analysis in clinical laboratories. PMID:24495475

Using mixed solvent and changing spin-coating parameters to increase the efficiency and lifetime of organic solar cells.

Science.gov (United States)

Tsai, Yu Sheng; Chu, Wei-Ping; Tang, Rong-Ming; Juang, Fuh-Shyang; Chang, Ming-Hua; Liu, Mark O; Hsieh, Tsung-Eong

2008-10-01

The derivative of C60, i.e., PCBM, and P3HT (3-hexylthiophene) were dissolved in chloroform:dichlorobenzene mixed solvent, then spin-coated as the active layer for organic solar cells (OSC). The experimental parameters were studied carefully to obtain the optimum power conversion efficiency (PCE), including the solvent mixing ratio, spin-coating speed, annealing conditions for the active layer, etc. The OSC devices were packaged with glass and a newly developed UV-glue to improve the lifetime and PCE. Dichlorobenzene solvent has great effect upon the PCE. Changing the spin-coating speed and increasing the number of steps increased the PCE apparently to 1.4%.

Breaking Binaries? Biomedicine and Serostatus Borderlands among Couples with Mixed HIV Status.

Science.gov (United States)

Persson, Asha; Newman, Christy E; Ellard, Jeanne

2017-01-01

With recent breakthroughs in HIV treatment and prevention, the meanings of HIV-positivity and HIV-negativity are changing at biomedical and community levels. We explore how binary constructions of HIV serostatus identities are giving way to something more complex that brings both welcome possibilities and potential concerns. We draw on research with couples with mixed HIV status to argue that, in the context of lived experiences, serostatus identities have always been more ambiguous than allowed for in HIV discourse. However, their supposed dichotomous quality seems even more dubious now in view of contemporary biomedical technologies. Invoking the anthropological concept of "borderlands," we consider how biomedicine is generating more diverse serostatus identities, widening the options for how to live with HIV, and eroding the stigmatizing serostatus binary that has haunted the epidemic. But we also ask whether this emerging borderland, and its "normalizing" tendencies, is concomitantly giving rise to new and troubling binaries.

Photophysics of Curcumin excited state in toluene-polar solvent mixtures: Role of H-bonding properties of the polar solvent

Energy Technology Data Exchange (ETDEWEB)

Saini, R.K.; Das, K., E-mail: kaustuv@rrcat.gov.in

2014-01-15

Excited state dynamics of Curcumin in binary solvent mixtures of toluene and polar H-bonding solvents were compared by using an instrument endowed with 40 ps time resolution. The solvation time constant of Curcumin increases significantly (and can therefore be measured) in polar solvents which have, either, both H-bond donating and accepting ability, or, only H-bond donating ability. These results suggest that the rate limiting step in the excited state dynamics of the pigment might be the formation and reorganization of the intermolecular H-bonding between the keto group of the pigment and the H-bond donating moieties of the polar solvent. -- Highlights: • Excited state dynamics of Curcumin in a binary solvent mixture of toluene and three polar H-bonding solvents were compared. • The solvation time constant increases significantly with polar solvents having, H-bond donating and accepting, or, H-bond donating ability. • Observed results suggest that H-bonding property of polar solvent plays an important role in the excited state dynamics. • Intermolecular H-bonding between the keto group of the pigment and polar solvent may be the rate limiting step.

Photophysics of Curcumin excited state in toluene-polar solvent mixtures: Role of H-bonding properties of the polar solvent

International Nuclear Information System (INIS)

Saini, R.K.; Das, K.

2014-01-01

Excited state dynamics of Curcumin in binary solvent mixtures of toluene and polar H-bonding solvents were compared by using an instrument endowed with 40 ps time resolution. The solvation time constant of Curcumin increases significantly (and can therefore be measured) in polar solvents which have, either, both H-bond donating and accepting ability, or, only H-bond donating ability. These results suggest that the rate limiting step in the excited state dynamics of the pigment might be the formation and reorganization of the intermolecular H-bonding between the keto group of the pigment and the H-bond donating moieties of the polar solvent. -- Highlights: • Excited state dynamics of Curcumin in a binary solvent mixture of toluene and three polar H-bonding solvents were compared. • The solvation time constant increases significantly with polar solvents having, H-bond donating and accepting, or, H-bond donating ability. • Observed results suggest that H-bonding property of polar solvent plays an important role in the excited state dynamics. • Intermolecular H-bonding between the keto group of the pigment and polar solvent may be the rate limiting step

Mesoscopic electrohydrodynamic simulations of binary colloidal suspensions

NARCIS (Netherlands)

Rivas, Nicolas; Frijters, Stefan; Pagonabarraga, Ignacio; Harting, Jens

2018-01-01

A model is presented for the solution of electrokinetic phenomena of colloidal suspensions in fluid mixtures. We solve the discrete Boltzmann equation with a Bhatnagar-Gross-Krook collision operator using the lattice Boltzmann method to simulate binary fluid flows. Solvent-solvent and solvent-solute

Systematic investigations on acyclic organic carbonate solvents for lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Vetter, J.; Peter, S.; Novak, P.

2003-03-01

Electrochemical cycling tests on cells with graphite electrodes and several alkyl methyl carbonates were performed. Experiments with mixed binary solvent electrolytes with ethylene carbonate (EC) showed that the alkyl methyl carbonates H{sub 3}CO(CO)O(CH{sub 2}){sub n}H (n = 3-5) are suitable as co-solvents in lithium-ion batteries. Ternary mixtures of EC, BMC, and propylene carbonate (PC) showed better overall performances than EC/PC electrolytes. The branched isobutyl methyl carbonate (i-BMC) outperforms its linear isomer (BMC) in terms of electrochemical performance. LiPF{sub 6} is superior to LiClO{sub 4} as conducting salt in both EC/BMC and EC/i-BMC mixtures in terms of electrolyte conductivity, rate capability, and cycling stability. (author)

ANALYSIS OF THE KINETICS OF SOLVOLYSIS OF P-NITROPHENYLSULFONYLMETHYL PERCHLORATE IN BINARY ALCOHOLIC MIXTURES IN TERMS OF THE THERMODYNAMIC PROPERTIES OF THE SOLVENT MIXTURES

NARCIS (Netherlands)

Wijnen, J W; Engberts, J B F N; Blandamer, Michael J

Rate constants are reported for the solvolysis of p-nitrophenylsulfonylmethyl perchlorate in binary ethanolic and methanolic mixtures at 298.2 K. Co-solvents include hydrocarbons, chlorinated hydrocarbons and 1,4-dioxane. The kinetic data are examined in terms of the effect of decreasing mole

Exact statistical results for binary mixing and reaction in variable density turbulence

Science.gov (United States)

Ristorcelli, J. R.

2017-02-01

We report a number of rigorous statistical results on binary active scalar mixing in variable density turbulence. The study is motivated by mixing between pure fluids with very different densities and whose density intensity is of order unity. Our primary focus is the derivation of exact mathematical results for mixing in variable density turbulence and we do point out the potential fields of application of the results. A binary one step reaction is invoked to derive a metric to asses the state of mixing. The mean reaction rate in variable density turbulent mixing can be expressed, in closed form, using the first order Favre mean variables and the Reynolds averaged density variance, ⟨ρ2⟩ . We show that the normalized density variance, ⟨ρ2⟩ , reflects the reduction of the reaction due to mixing and is a mix metric. The result is mathematically rigorous. The result is the variable density analog, the normalized mass fraction variance ⟨c2⟩ used in constant density turbulent mixing. As a consequence, we demonstrate that use of the analogous normalized Favre variance of the mass fraction, c″ ⁣2˜ , as a mix metric is not theoretically justified in variable density turbulence. We additionally derive expressions relating various second order moments of the mass fraction, specific volume, and density fields. The central role of the density specific volume covariance ⟨ρ v ⟩ is highlighted; it is a key quantity with considerable dynamical significance linking various second order statistics. For laboratory experiments, we have developed exact relations between the Reynolds scalar variance ⟨c2⟩ its Favre analog c″ ⁣2˜ , and various second moments including ⟨ρ v ⟩ . For moment closure models that evolve ⟨ρ v ⟩ and not ⟨ρ2⟩ , we provide a novel expression for ⟨ρ2⟩ in terms of a rational function of ⟨ρ v ⟩ that avoids recourse to Taylor series methods (which do not converge for large density differences). We have derived

Thermodynamic and Interfacial Properties of DTABr/CTABr Mixed Surfactant Systems in Ethanolamine/Water Mixtures: A Conductometry Study

OpenAIRE

Esan, Olaseni Segun; Osundiya, Medinat Olubunmi; Aboluwoye, Christopher Olumuyiwa; Olanrewaju, Owoyomi; Ige, Jide

2013-01-01

Mixed-micelle formation in the binary mixtures of dodecyltrimethylammonium bromide (DTABr) and cetyltrimethylammonium bromide (CTABr) surfactants in water-ethanolamine mixed solvent systems has been studied by conductometric method in the temperature range of 298.1 to 313.1 K at 5 K intervals. It was observed that the presence of ethanolamine forced the formation of mixed micelle to lower total surfactant concentration than in water only. The synergistic interaction was quantitatively investi...

Solution thermodynamics of creatine monohydrate in binary (water + ethanol) solvent systems at T = (278.15 to 328.15) K

International Nuclear Information System (INIS)

Song, Liangcheng; Wei, Lihua; Si, Tao; Guo, Huai; Yang, Chunhui

2016-01-01

Highlights: • The solubilities of creatine monohydrate in (ethanol + water) mixtures were investigated. • The solubility data were well correlated by Jouyban–Acree model. • Solution thermodynamic properties were calculated. • The dissolving process of creatine monohydrate in was endothermic and entropy-driven. - Abstract: In order to optimize the crystallization process of creatine monohydrate, the solubility of creatine monohydrate in the binary (water + ethanol) mixture was measured at temperatures ranging from 278.15 K to 328.15 K using the laser monitoring technique. The solubility increased with both the temperature and the mole fraction of water in the solvent mixture. The experimental solubility was well correlated by the Jouyban–Acree model, which generated a sensitive solubility surface for creatine monohydrate. Furthermore, the thermodynamic parameters of this dissolution process were also estimated. The results showed that the dissolution process of creatine monohydrate in each solvent mixture was endothermic and entropy-driven, and that the dissolution of creatine monohydrate became much easier when the mole fraction of water in the solvent mixture increased.

Thermo-mechanical characterization of epoxy nanocomposites with different carbon nanotube distributions obtained by solvent aided and direct mixing.

Directory of Open Access Journals (Sweden)

M. Zarrelli

2012-07-01

Full Text Available Two different routes, namely solvent aided dispersion and direct mixing, were employed to disperse Multi-Walled Carbon Nanotubes (MWNTs into a mono-component epoxy system used as matrix for advanced composites. In the first route, MWCNTs were diluted in three different solvents (acetone, sodium dodecyl sulfate and ethanol and then mixed with the matrix by tip sonication. In the second case, carbonaceous nanoparticles were added directly into the hosting system and dispersion was carried out by using three different techniques (mechanical stirring, magnetic agitation and tip sonication. The effects of the solvents and agitation energy were investigated by optical microscopy at micron level, in order assess the more efficient dispersion procedure for the considered epoxy system. It was demonstrated that parameters associated with direct mixing rather than solvent solubility govern MWCNT dispersion. Optical analysis of the nanocomposite morphology evidenced a very low density of MWCNTs micron sized aggregates in the case of direct mixed tip sonicated samples if compared to those obtained by solution aided dispersion. In addition, nanocomposites obtained by sonication showed the lowest density of MWCNTs micron sized aggregates, also when compared with mechanically and magnetically stirred system. Dynamic Mechanical Analysis (DMA and Thermo-Mechanical Analysis (TMA results confirm the final result that among the considered direct mixing techniques, the direct tip sonication represents the most efficient route for MWCNT dispersion. Moreover, the mixing temperature of the hosting matrix system represents a fundamental feature in enhancing the MWCNT de-bundling and dispersion. Small X-ray Scattering analysis revealed that a nanosized structure of nanotubes is formed in the case of the tip sonicated samples that is heuristically correlated with both the maximum enhancement of mechanical modulus and the maximum reduction of thermal expansion coefficients.

Solubilization of Polycyclic Aromatic Hydrocarbons by Single and Binary Mixed Rhamnolipid-Sophorolipid Biosurfactants.

Science.gov (United States)

Song, Dandan; Liang, Shengkang; Yan, Lele; Shang, Yujun; Wang, Xiuli

2016-07-01

Biosurfactants are promising additives for surfactant enhanced remediation (SER) technologies due to their low toxicity and high biodegradability. To develop green and efficient additives for SER, the aqueous solubility enhancements of polycyclic aromatic hydrocarbons (PAHs; naphthalene, phenanthrene, and pyrene) by rhamnolipid (RL) and sophorolipid (SL) biosurfactants were investigated in single and binary mixed systems. The solubilization capacities were quantified in terms of the solubility enhancement factor, molar solubilization ratio (MSR), and micelle-water partition coefficient (). Rughbin's model was applied to evaluate the interaction parameters (β) in the mixed RL-SL micelles. The solubility of the PAHs increased linearly with the glycolipid concentration above the critical micelle concentration (CMC) in both single and mixed systems. Binary RL-SL mixtures exhibited greater solubilization than individual glycolipids. At a SL molar fraction of 0.7 to 0.8, the solubilization capacity was the greatest, and the MSR and reached their maximum values, and β values became positive. These results suggest that the two biosurfactants act synergistically to increase the solubility of the PAHs. The solubilization capacity of the RL-SL mixtures increased with increasing temperature and decreased with increasing salinity. The aqueous solubility of phenanthrene reached a maximum value at pH of 5.5. Moreover, the mixed RL-SL systems exhibited a strong ability to solubilize PAHs, even in the presence of heavy metal ions. These mixed biosurfactant systems have the potential to improve the performance of SER technologies using biosurfactants to solubilize hydrophobic organic contaminants by decreasing the applied biosurfactant concentration, which reduces the costs of remediation. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

An electrolyte CPA equation of state for mixed solvent electrolytes

DEFF Research Database (Denmark)

Maribo-Mogensen, Bjørn; Thomsen, Kaj; Kontogeorgis, Georgios M.

2015-01-01

Despite great efforts over the past decades, thermodynamic modeling of electrolytes in mixed solvents is still a challenge today. The existing modeling frameworks based on activity coefficient models are data-driven and require expert knowledge to be parameterized. It has been suggested...... using a self-consistent model for the static permittivity. A simple scheme for parameterization of salts with a limited number of parameters is proposed and model parameters for a range of salts are determined from experimental data of activity and osmotic coefficients as well as freezing point...

Ion association thermodynamics of alkali metal tetraphenylborates in the mixed solvent propylenecarbonate-1,2-dimethoxyethane

International Nuclear Information System (INIS)

Fialkov, Yu.Ya.; Gorbachev, V.Yu.

1997-01-01

Polythermal dependences of constants of ion association of (Li + -Cs + )BPh 4 salts in mixed solvent differ significantly in permittivity. Thermodynamic characteristics of this process are calculated and their relation with solvation processes is analyzed. (author)

Ionization and thermodynamic constants of 6-methylquinoline by potentiometry in aqueous and mixed organic-water solvent systems

International Nuclear Information System (INIS)

Hafiz, A; Indhar, B.; Khanzada, A.W.K.

2000-01-01

The ionization constant pKa and Gibbs's free energy DG of 6-methylquinoline are determined in aqueous solution at different temperatures and in three mixed organic-water solvent systems at 25 deg. C. It is observed that dissociation constant of 6-methylquinoline in aqueous system decreases with the increase of temperature. The curve is a parabolic. It is noted that pKa values of this compound are higher than those of quinoline and 8-methylquinoline. In case of mixed organic-water solvent systems, the influence of these solvents on the ionization equilibria of NH/sub 2/ group has been observed. The pK M/A and pK T/A values versus percent composition decrease gradually with increase in percent of organic solvents The curve of the pK/sub a/ versus percent composition is a distorted parabola. The data have been obtained potentiometrically by titrating 6-methylquinoline solutions with HCl. The values of dissociation constant were obtained from these data by a computer program written in GW-BASIC. From pKa values Gibbs's free energies DG for the respective pKa values have also been calculated. (author)

Modification of cellulose with succinic anhydride in TBAA/DMSO mixed solvent under catalyst-free conditions

Science.gov (United States)

Homogeneous modification of cellulose with succinic anhydride was performed in tetrabutylammonium acetate (TBAA)/dimethyl sulfoxide (DMSO) mixed solvent. The molar ratio of succinic anhydride (SA) to free hydroxyl groups in the anhydroglucose units (AGU) and TBAA dosage were investigated as paramete...

RELATIONSHIP BETWEEN FLASH POINTS OF SOME BINARY ...

African Journals Online (AJOL)

B. S. Chandravanshi

Miscellaneous binary blends containing solvent neutral-150 (SN-150), ... viscosity, the flash point test has always been a standard part of a lubricant's specification. ... between structure and flash points of organic compounds [5-12] and fuels [13, 14]. ... in binary mixtures, the gaps between flash points would be high enough.

Preparation and performance study of a novel liquid scintillator with mixed solvent as the matrix

International Nuclear Information System (INIS)

Zheng, Zhanlong; Zhu, Jiayi; Luo, Xuan; Xu, Yewei; Zhang, Qianfeng; Zhang, Xing; Bi, Yutie; Zhang, Lin

2017-01-01

A novel liquid scintillator with the mixed solvent as the matrix was prepared for obtaining a good comprehensive performance. In this ternary liquid scintillator, the combination of 20% pseudocumene (PC) and 80% linear-alkyl benzene (LAB) by volume was chosen as the mixed solvent, and 2,5-diphenyloxazole (PPO) and 1,4-bis(2-Methylstyryl) benzene (bis-MSB) were as the primary fluor and wavelength shifter, respectively. The optimum prescription was obtained with regard to the light yield. Some characterizations based on the optimal formulation were conducted. The fluorescence emission spectra and wavelength-dependent optical attenuation length of the sample were measured by the fluorescence spectrophotometer and an UV–Vis spectrometer, respectively. The light yield was characterized by adopting the home-made optical platform device. The decay time was tested by adopting the time-correlated single photon counting (TCSPC) technique featured in high dynamic range of several orders of magnitude in light intensity. The experimental test results showed that the sample had a fairly good comprehensive performance.

Preparation and performance study of a novel liquid scintillator with mixed solvent as the matrix

Energy Technology Data Exchange (ETDEWEB)

Zheng, Zhanlong [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China); School of Material Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Zhu, Jiayi [Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Luo, Xuan, E-mail: luox76@gmail.com [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China); Xu, Yewei [School of Material Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Zhang, Qianfeng [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China); Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Zhang, Xing [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China); Bi, Yutie, E-mail: biyutie@sina.com [Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Zhang, Lin [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China); School of Material Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China)

2017-04-01

A novel liquid scintillator with the mixed solvent as the matrix was prepared for obtaining a good comprehensive performance. In this ternary liquid scintillator, the combination of 20% pseudocumene (PC) and 80% linear-alkyl benzene (LAB) by volume was chosen as the mixed solvent, and 2,5-diphenyloxazole (PPO) and 1,4-bis(2-Methylstyryl) benzene (bis-MSB) were as the primary fluor and wavelength shifter, respectively. The optimum prescription was obtained with regard to the light yield. Some characterizations based on the optimal formulation were conducted. The fluorescence emission spectra and wavelength-dependent optical attenuation length of the sample were measured by the fluorescence spectrophotometer and an UV–Vis spectrometer, respectively. The light yield was characterized by adopting the home-made optical platform device. The decay time was tested by adopting the time-correlated single photon counting (TCSPC) technique featured in high dynamic range of several orders of magnitude in light intensity. The experimental test results showed that the sample had a fairly good comprehensive performance.

Effect of water treatment under ultrasonic irradiation on the solubilities of coals in a CS{sub 2}/NMP mixed solvent

Energy Technology Data Exchange (ETDEWEB)

Chan-Min Liu; Zhi-Min Zong; Ji-Xian Jia; Yao-Guo Huang; Hong Zhang; Bin Huang; Xian-Yong Wei [China University of Mining and Technology, Xuzhou (China). School of Chemical Engineering

2007-07-01

Five Chinese coals were subject to water treatment (WT) at 75{sup o}C under ultrasonic irradiation (UI). The resulting water-extractable fraction (WEF) in the aqueous solution was extracted with benzene. The treated and untreated coals were extracted with a CS{sub 2}/NMP mixed solvent (1:1 by vol) under UI at room temperature. The results show that only small amount of WEF is extractable with benzene and that WT increases coal solubility in the CS{sub 2}/NMP mixed solvent only to small extent. 6 refs., 2 figs., 1 tab.

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

Science.gov (United States)

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

2012-05-14

We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, [C(n)mim] [NTf(2)] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C(2)mim] [NTf(2)]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C(2)mim][NTf(2)]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modification of cellulose with succinic anhydride in TBAA/DMSO mixed solvent under catalyst-free conditions

Science.gov (United States)

Ping-Ping Xin; Yao-Bing Huang; Chung-Yun Hse; Huai N. Cheng; Chaobo Huang; Hui. Pan

2017-01-01

Homogeneous modification of cellulose with succinic anhydride was performed using tetrabutylammonium acetate (TBAA)/dimethyl sulfoxide (DMSO) mixed solvent. The molar ratio of succinic anhydride (SA) to free hydroxyl groups in the anhydroglucose units (AGU), TBAA dosage, reaction temperature, and reaction time were investigated. The highest degree of substitution (DS)...

Ultrasmooth Perovskite Film via Mixed Anti-Solvent Strategy with Improved Efficiency.

Science.gov (United States)

Yu, Yu; Yang, Songwang; Lei, Lei; Cao, Qipeng; Shao, Jun; Zhang, Sheng; Liu, Yan

2017-02-01

Most antisolvents employed in previous research were miscible with perovskite precursor solution. They always led to fast formation of perovskite even if the intermediate stage existed, which was not beneficial to obtain high quality perovskite films and made the formation process less controllable. In this work, a novel ethyl ether/n-hexane mixed antisolvent (MAS) was used to achieve high nucleation density and slow down the formation process of perovskite, producing films with improved orientation of grains and ultrasmooth surfaces. These high quality films exhibited efficient charge transport at the interface of perovskite/hole transport material and perovskite solar cells based on these films showed greatly improved performance with the best power conversion efficiency of 17.08%. This work also proposed a selection principle of MAS and showed that solvent engineering by designing the mixed antisolvent system can lead to the fabrication of high-performance perovskite solar cells.

Application of a radioactive sourced semi portable X-ray spectrometer to the solution of binary mix compositions

International Nuclear Information System (INIS)

Butcher, B.M.

1988-01-01

In many cases it is far more economically viable to transport individual constituents to a blending plant and produce a series of custom made products than to manufacture at site. This situation exists in many heavy chemical industries or on large building sites. In the cement industry inter-mixed or interground blends containing slag, fly ash, or limestone are produced. These mixes are designed to enhance certain physical properties and to reduce costs. This paper summarises experience of the application of portable isotope source X-ray analysers in achieving quality control of binary mixes

Hydrothermal synthesis of nickel hydroxide nanostructures in mixed solvents of water and alcohol

International Nuclear Information System (INIS)

Yang Lixia; Zhu Yingjie; Tong Hua; Liang Zhenhua; Li Liang; Zhang Ling

2007-01-01

Nickel hydroxide nanosheets and flowers have been hydrothermally synthesized using Ni(CH 3 COO) 2 .4H 2 O in mixed solvents of ethylene glycol (EG) or ethanol and deionized water at 200 deg. C for different time. The phase and morphology of the obtained products can be controlled by adjusting the experimental parameters, including the hydrothermal time and the volume ratio of water to EG or ethanol. The possible reaction mechanism and growth of the nanosheets and nanoflowers are discussed based on the experimental results. Porous nickel oxide nanosheets are obtained by heating nickel hydroxide nanosheets in air at 400 deg. C. The products were characterized by using various methods including X-ray diffraction (XRD), fourier transform infrared (FTIR), transmission electron microscopy (TEM), selected-area electron diffraction (SAED), field emission scanning electron microscopy (FESEM). The electrochemical property of β-Ni(OH) 2 nanosheets was investigated through the cyclic voltammogram (CV) measurement. - Graphical abstract: Nickel hydroxide nanosheets and flowers have been hydrothermally synthesized using Ni(CH 3 COO) 2 .4H 2 O in mixed solvents of ethylene glycol (EG) or ethanol and deionized water at 200 deg. C for different reaction time. Porous nickel oxide nanosheets are obtained by heating nickel hydroxide nanosheets in air at 400 deg. C

The effect of organic solvent, temperature and mixing time on the production of oil from Moringa oleifera seeds

Science.gov (United States)

Ghazali, Q.; Yasin, N. H. M.

2016-06-01

The effect of three different organic solvent, temperature and mixing time on the production of oil from M.oleifera seeds were studied to evaluate the effectiveness in obtaining the high oil yield based on the percentage of oil production. The modified version of Soxhlet extraction method was carried out to extract the oil from M.oleifera seeds by using hexane, heptane and ethanol as the organic solvent. Among the three solvents, it is found that heptane yield higher oil from M.oleifera seeds with maximum oil yield of 36.37% was obtained followed by hexane and ethanol with 33.89% and 18.46%, respectively. By using heptane as a solvent, the temperature (60oC, 70oC, 80oC) and mixing time (6 h, 7 h, and 8 h) were investigated to ensure the high oil yield over the experimental ranges employed and high oil yield was obtained at 600C for 6 h with percentage oil yield of 36.37%. The fatty acid compositions of M.oleifera seeds oil were analyzed using Gas Chromatography/Mass Spectrometry (GC-MS). The main components of fatty acid contained in the oil extracted from M.oleifera seeds was oleic acid, followed by palmitic acid and arachidic acid, and small amount of behenic acid and margaric acid.

Solvent sorting in (mixed solvent electrolyte) systems: Time-resolved ...

Indian Academy of Sciences (India)

lar solvents as an effective single component dipo- lar liquid that is characterized ... and time (t) dependent solvation energy of mobile dipo- lar solute with density ..... Even though this way for modification of C is purely ad- hoc, the observation ...

Lithium isotope effects in cation exchange chromatography of lithium lactate in water-dimethyl sulfoxide and water-acetone mixed solvent media

International Nuclear Information System (INIS)

Oi, Takao; Kondoh, Akiko; Ohno, Etsuko; Hosoe, Morikazu

1993-01-01

Lithium isotope separation by ion exchange displacement chromatography of lithium lactate in water-dimethyl sulfoxide (DMSO) and water-acetone mixed solvent media at 25 C was explored. In both the water-DMSO and water-acetone system, the single stage isotope separation factor (S) was a convex function of the mixing ratio of the solvents in the external solution phase; S had its maximum value of 1.00254 at water: DMSO=25:75 v/v and 1.00182 at water: acetone=75:25 v/v. Strong correlations of S with solvent partitions between the solution and the exchanger phases were found in both systems, which was qualitatively explainable by considering the lithium isotope distributions between the two phases based on the fundamental lithium isotope effects and the relative affinities of water, DMSO and acetone towards the lithium ion. (orig.)

Enthalpies of mixing in binary liquid alloys of lutetium with 3d metals

Energy Technology Data Exchange (ETDEWEB)

Ivanov, Michael; Berezutski, Vadim [National Academy of Sciences, Kyiv (Ukraine). I. Frantsevich Institute for Problems of Materials Science; Usenko, Natalia; Kotova, Natalia [Taras Shevchenko National Univ., Kyiv (Ukraine). Dept. of Chemistry

2017-01-15

The enthalpies of mixing in binary liquid alloys of lutetium with chromium, cobalt, nickel and copper were determined at 1 773 - 1 947 K by isoperibolic calorimetry. The enthalpies of mixing in the Lu-Cr melts (measured up to 40 at.% Cr) demonstrate endothermic effects (ΔH = 6.88 ± 0.66 kJ . mol{sup -1} at x{sub Lu} = 0.60), whereas significant exothermic enthalpies of mixing have been established within a wide composition region for the Co-Lu, Ni-Lu and Cu-Lu liquid alloys. Minimum values of the integral enthalpy of mixing are as follows: ΔH{sub min} = -23.57 ± 1.41 kJ . mol{sup -1} at x{sub Lu} = 0.38 for the Co-Lu system; ΔH{sub min} = -48.65 ± 2.83 kJ . mol{sup -1} at x{sub Lu} = 0.40 for the Ni-Lu system; ΔH{sub min} = -24.63 ± 1.52 kJ . mol{sup -1} at x{sub Lu} = 0.37 for the Cu-Lu system.

Sorption behaviour of uranium and thorium on hydrous tin oxide from aqueous and mixed-solvent HNO3 media

International Nuclear Information System (INIS)

Misak, N.Z.; Salama, H.N.; El-Naggar, I.M.

1983-01-01

In aqueous nitric acid, uranyl and thorium ions seem to be sorbed on hydrous tin oxide mainly by a cation exchange mechanism. In 10 - 3 M aqueous solutions, the hydrous oxide prefers thorium to uranium at the relative low pH values, while the reverse is true at the higher pH values. The exchange of uranium is particle diffusion controlled while that of thorium is chemically controlled, and the isotherms point to the presence of different-energy sites in the hydrous oxide. Except for the solutions containing 80% of methanol, ethanol, or acetone, cation exchange is probably still the main mechanism of sorption of uranium. Anionic sorption of thorium seems to occur in all the mixed-solvent solutions and is perhaps the main mechanism in 80% ethanol. The equilibrium distribution coefficient K sub (d) increases almost in all cases with organic solvent content, probably due to dehydration of sorbed ions and to increasing superposition on anionic sorption. Unlike the aqueous medium, large U/Th separation factors are achieved in many of the mixed-solvent solutions and separation schemes are suggested. (Authors)

Effect of Mixing Dyes and Solvent in Electrolyte Toward Characterization of Dye Sensitized Solar Cell Using Natural Dyes as The Sensitizer

Science.gov (United States)

Puspitasari, Nurrisma; Nurul Amalia, Silviyanti S.; Yudoyono, Gatut; Endarko

2017-07-01

Dye Sensitized Solar Cell (DSSC) using natural dyes (chlorophyll, curcumin from turmeric extract, and anthocyanin from mangosteen extract) have been successfully fabricated for determining the effect of variation natural dyes, mixing dyes and acetonitrile in electrolyte toward characterization of DSSC. DSSC consists of five parts namely ITO (Indium Tin Oxide) as a substrate; TiO2 as semiconductor materials; natural dyes as an electron donor; electrolyte as electron transfer; and carbon as a catalyst that can convert light energy into electric energy. Two types of gel electrolyte based on PEG that mixed with liquid electrolyte have utilized for analyzing the lifetime of DSSC. Type I used distilled water as a solvent whilst type II used acetonitrile as a solvent with addition of concentration of KI and iodine. The main purpose of study was to investigate influence of solvent in electrolyte, variation of natural dyes and mixing dyes toward an efficiency that resulted by DSSC. The result showed that electrolyte type II is generally better than type I with efficiency 0,0556 and 0,0456 %, respectively. An efficiency values which resulted from a variation of mixed three natural dyes showed the greatest efficiency compared to mixed two natural dyes and one dye, with an efficiency value can be achieved at 0,0194 % for chlorophyll; 0,111 % for turmeric; 0,0105 % for mangosteen; 0,0244% (mangosteen and chlorophyll); 0,0117 % (turmeric and mangosteen); 0,0158 % (turmeric and chlorophyll); and 0.0566 % (mixed three natural dyes).

A smooth and differentiable bulk-solvent model for macromolecular diffraction

Energy Technology Data Exchange (ETDEWEB)

Fenn, T. D. [Department of Molecular and Cellular Physiology and Howard Hughes Medical Institute, Stanford, California (United States); Schnieders, M. J. [Department of Chemistry, Stanford, California (United States); Brunger, A. T., E-mail: brunger@stanford.edu [Department of Molecular and Cellular Physiology and Howard Hughes Medical Institute, Stanford, California (United States); Departments of Neurology and Neurological Sciences, Structural Biology and Photon Science, Stanford, California (United States)

2010-09-01

A new method for modeling the bulk solvent in macromolecular diffraction data based on Babinet’s principle is presented. The proposed models offer the advantage of differentiability with respect to atomic coordinates. Inclusion of low-resolution data in macromolecular crystallography requires a model for the bulk solvent. Previous methods have used a binary mask to accomplish this, which has proven to be very effective, but the mask is discontinuous at the solute–solvent boundary (i.e. the mask value jumps from zero to one) and is not differentiable with respect to atomic parameters. Here, two algorithms are introduced for computing bulk-solvent models using either a polynomial switch or a smoothly thresholded product of Gaussians, and both models are shown to be efficient and differentiable with respect to atomic coordinates. These alternative bulk-solvent models offer algorithmic improvements, while showing similar agreement of the model with the observed amplitudes relative to the binary model as monitored using R, R{sub free} and differences between experimental and model phases. As with the standard solvent models, the alternative models improve the agreement primarily with lower resolution (>6 Å) data versus no bulk solvent. The models are easily implemented into crystallographic software packages and can be used as a general method for bulk-solvent correction in macromolecular crystallography.

A smooth and differentiable bulk-solvent model for macromolecular diffraction

International Nuclear Information System (INIS)

Fenn, T. D.; Schnieders, M. J.; Brunger, A. T.

2010-01-01

A new method for modeling the bulk solvent in macromolecular diffraction data based on Babinet’s principle is presented. The proposed models offer the advantage of differentiability with respect to atomic coordinates. Inclusion of low-resolution data in macromolecular crystallography requires a model for the bulk solvent. Previous methods have used a binary mask to accomplish this, which has proven to be very effective, but the mask is discontinuous at the solute–solvent boundary (i.e. the mask value jumps from zero to one) and is not differentiable with respect to atomic parameters. Here, two algorithms are introduced for computing bulk-solvent models using either a polynomial switch or a smoothly thresholded product of Gaussians, and both models are shown to be efficient and differentiable with respect to atomic coordinates. These alternative bulk-solvent models offer algorithmic improvements, while showing similar agreement of the model with the observed amplitudes relative to the binary model as monitored using R, R free and differences between experimental and model phases. As with the standard solvent models, the alternative models improve the agreement primarily with lower resolution (>6 Å) data versus no bulk solvent. The models are easily implemented into crystallographic software packages and can be used as a general method for bulk-solvent correction in macromolecular crystallography

Constraining stellar physics from red-giant stars in binaries – stellar rotation, mixing processes and stellar activity

Directory of Open Access Journals (Sweden)

Beck P. G.

2017-01-01

Full Text Available The unparalleled photometric data obtained by NASA’s Kepler Space Telescope has led to an improved understanding of stellar structure and evolution - in particular for solar-like oscillators in this context. Binary stars are fascinating objects. Because they were formed together, binary systems provide a set of two stars with very well constrained parameters. Those can be used to study properties and physical processes, such as the stellar rotation, dynamics and rotational mixing of elements and allows us to learn from the differences we find between the two components. In this work, we discussed a detailed study of the binary system KIC 9163796, discovered through Kepler photometry. The ground-based follow-up spectroscopy showed that this system is a double-lined spectroscopic binary, with a mass ratio close to unity. However, the fundamental parameters of the components of this system as well as their lithium abundances differ substantially. Kepler photometry of this system allows to perform a detailed seismic analysis as well as to derive the orbital period and the surface rotation rate of the primary component of the system. Indications of the seismic signature of the secondary are found. The differing parameters are best explained with both components located in the early and the late phase of the first dredge up at the bottom of the red-giant branch. Observed lithium abundances in both components are in good agreement with prediction of stellar models including rotational mixing. By combining observations and theory, a comprehensive picture of the system can be drawn.

Directed Assembly of Janus Cylinders by Controlling the Solvent Polarity.

Science.gov (United States)

Kim, Jongmin; Choi, Chang-Hyung; Yeom, Su-Jin; Eom, Naye; Kang, Kyoung-Ku; Lee, Chang-Soo

2017-08-01

This study demonstrates the possibility of controlling the directed self-assembly of microsized Janus cylinders by changing the solvent polarity of the assembly media. Experimental results are analyzed and theoretical calculations of the free energy of adhesion (ΔG ad ) are performed to elucidate the underlying basic principles and investigate the effects of the solvent on the self-assembled structures. This approach will pave a predictive route for controlling the structures of assembly depending on the solvent polarity. In particular, we find that a binary solvent system with precisely controlled polarity induces directional assembly of the microsized Janus cylinders. Thus, the formation of two-dimensional (2D) and three-dimensional (3D) assembled clusters can be reliably tuned by controlling the numbers of constituent Janus cylinders in a binary solvent system. Finally, this approach is expanded to stepwise assembly, which forms unique microstructures via secondary growth of primary seed clusters formed by the Janus cylinders. We envision that this investigation is highly promising for the construction of desired superstructures using a wide variety of polymeric Janus microparticles with chemical and physical multicompartments.

Thermodynamics of ionic migration of simple and complex rare earth salts in mixed alcohol solvents

International Nuclear Information System (INIS)

Gorodyskij, A.V.; Fialkov, Yu.Ya.; Chernyj, D.B.

1982-01-01

The influence of the composition of double mixed solvents (water-methanol and methanol-propanol) on thermodynamic characteristics of electrolytic dissociation process-enthalpy and entropy, dissociation constants of chlorides and diphenanthroline chlorides of lanthanum, neodymium, europium and dysprosium, is analyzed. It is shown that when passing from water to methanol, that is, with decrease of dielectric permeability, the endothermicity of electrolytic dissociation process increases

Thermodynamics of ionic migration of simple and complex rare earth salts in mixed alcohol solvents

Energy Technology Data Exchange (ETDEWEB)

Gorodyskij, A.V.; Fialkov, Yu.Ya.; Chernyj, D.B. (AN Ukrainskoj SSR, Kiev. Inst. Obshchej i Neorganicheskoj Khimii; Kievskij Politekhnicheskij Inst. (Ukrainian SSR))

1982-04-01

The influence of the composition of double mixed solvents (water-methanol and methanol-propanol) on thermodynamic characteristics of electrolytic dissociation process-enthalpy and entropy, dissociation constants of chlorides and diphenanthroline chlorides of lanthanum, neodymium, europium and dysprosium, is analyzed. It is shown that when passing from water to methanol, that is, with decrease of dielectric permeability, the endothermicity of electrolytic dissociation process increases.

Solvent extraction of hafnium(IV) by dinonylnaphthalene sulfonic acid from mixed aqueous-organic media

International Nuclear Information System (INIS)

Hala, J.; Piperkovova, H.

1979-01-01

The extraction of hafnium(IV) by heptane and toluene solutions of dinonylnaphthalene sulfonic acid (HD) from mixed aqueous-organic solutions has been studied. Alcohols, ketones, carboxylic acids, cyclic ethers, dimethylsulfoxide and dimethylformamide were used as the organic component of the mixed phase. Methanol, ethanol, formic acid and dioxane increased the extractability of Hf(IV) whereas other solvents showed only an antagonistic effect. The results were discussed from the point of view of the changes in micellar structure of HD, and compared with the uptake of Hf(IV) by resinous cation exchangers. The solubilization by HD of alcohols, carboxylic acids and dimethylsulfoxide was demonstrated by using the corresponding 14 C and 35 S labelled compounds. (author)

Measurement and correlation of solubility of thiourea in two solvent mixtures from T = (283.15 to 313.15) K

International Nuclear Information System (INIS)

Wang, Yanmeng; Yin, Qiuxiang; Sun, Xiaowei; Bao, Ying; Gong, Junbo; Hou, Baohong; Wang, Yongli; Zhang, Meijing; Xie, Chuang; Hao, Hongxun

2016-01-01

Highlights: • Solubility of thiourea in methanol + ethanol and methanol + propanol was studied. • Experimental and calculated (NIBS/R-K) data are in a good agreement. • Interaction between solute and solvent are calculated by Molecular simulation. • Thermodynamic properties of both dissolving and mixing process are calculated. - Abstract: The solubility data of thiourea in methanol + ethanol mixtures and methanol + n-propanol mixtures were determined from T = (283.15 to 313.15) K by gravimetric method under atmospheric pressure. Effects of solvent composition and temperature on solubility of thiourea were discussed. Molecular simulation results indicate that solubility of thiourea will be influenced by interaction energy and a quantitative conclusion can be drawn from the modeling result. To extend the applicability of the solubility data, experimental solubility data in two kinds of binary solvent mixtures were correlated by the modified Apelblat equation, λ–h equation and (NIBS)/Redlich–Kister model. It was found that all the three models could satisfactorily correlate the experimental data and the (NIBS)/Redlich–Kister model could give better correlation results. Furthermore, thermodynamic properties of dissolving and mixing process of thiourea, including the enthalpy, the Gibbs energy and the entropy, were also calculated and analyzed.

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.

Abnormal scattering of polymer in binary solvent

Science.gov (United States)

To, Kiwing; Kim, Chul A.; Choi, Hyoung J.

The behavior of a high molecular weight polymer (polyethylene-oxide, PEO) in a binary liquid mixture (nitroethane/3-methyl-pentane, NE/MP) is studied at the one-phase temperature of NE/MP by static and dynamic light scattering methods. We found that the scattering intensity increased abruptly near the critical composition of NE/MP although the sample was very far from the critical temperature of NE/MP. Explanations in terms of critical opalescence and wetting layer inversion are discussed.

Porous fiber formation in polymer-solvent system undergoing solvent evaporation

Science.gov (United States)

Dayal, Pratyush; Kyu, Thein

2006-08-01

Temporal evolution of the fiber morphology during dry spinning has been investigated in the framework of Cahn-Hilliard equation [J. Chem. Phys. 28, 258 (1958)] pertaining to the concentration order parameter or volume fraction given by the Flory-Huggins free energy of mixing [P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, NY, 1953), p. 672] in conjunction with the solvent evaporation rate. To guide the solvent evaporation induced phase separation, equilibrium phase diagram of the starting polymer solution was established on the basis of the Flory-Huggins free energy of mixing. The quasi-steady-state approximation has been adopted to account for the nonconserved nature of the concentration field caused by the solvent loss. The process of solvent evaporation across the fiber skin-air interface was treated in accordance with the classical Fick's law [R. B. Bird et al., Transport Phenomena (J. Wiley, New York, 1960), p. 780]. The simulated morphologies include gradient type, hollow fiber type, bicontinuous type, and host-guest type. The development of these diverse fiber morphologies is explicable in terms of the phase diagram of the polymer solution in a manner dependent on the competition between the phase separation dynamics and rate of solvent evaporation.

Effect of Mixed Working Fluid Composition on Binary Cycle Condenser Heat Transfer Coefficients

Energy Technology Data Exchange (ETDEWEB)

Dan Wendt; Greg Mines

2011-10-01

Effect of Mixed Working Fluid Composition on Binary Cycle Condenser Heat Transfer Coefficients Dan Wendt, Greg Mines Idaho National Laboratory The use of mixed working fluids in binary power plants can provide significant increases in plant performance, provided the heat exchangers are designed to take advantage of these fluids non-isothermal phase changes. In the 1980's testing was conducted at DOE's Heat Cycle Research Facility (HCRF) where mixtures of different compositions were vaporized at supercritical pressures and then condensed. This testing had focused on using the data collected to verify that Heat Transfer Research Incorporated (HTRI) codes were suitable for the design of heat exchangers that could be used with mixtures. The HCRF data includes mixture compositions varying from 0% to 40% isopentane and condenser tube orientations of 15{sup o}, 60{sup o}, and 90{sup o} from horizontal. Testing was performed over a range of working fluid and cooling fluid conditions. Though the condenser used in this testing was water cooled, the working fluid condensation occurred on the tube-side of the heat exchanger. This tube-side condensation is analogous to that in an air-cooled condenser. Tube-side condensing heat transfer coefficient information gleaned from the HCRF testing is used in this study to assess the suitability of air-cooled condenser designs for use with mixtures. Results of an air-cooled binary plant process model performed with Aspen Plus indicate that that the optimal mixture composition (producing the maximum net power for the scenario considered) is within the range of compositions for which data exist. The HCRF data is used to assess the impact of composition, tube orientation, and process parameters on the condensing heat transfer coefficients. The sensitivity of the condensing coefficients to these factors is evaluated and the suitability of air-cooled condenser designs with mixtures is assessed. This paper summarizes the evaluation

Solvent extraction of indium and gallium complexes with bromopyrogallol red by mixed extractants containing chloroform, a polar organic solvent and monocarboxylic acids

International Nuclear Information System (INIS)

Pyatnitskij, I.V.; Lysenko, O.V.; Kolomiets, L.L.

1987-01-01

Solvent extraction of indium and gallium complexes with bromopyragallol red (BPR) has been studied using mixed extractants containing chloroform, capronic acid (HL) and 1-pentanol (S) (extractant 1), and chloroform, HL, S and propionic acid (extractant 2). The latter is more selectie and extracts only the indium complex. Optimal conditions have been found for the extraction of In-BRP complex (pH 6.3-6.5; C BPR 1.5x10 -4 M) its composition has been estimated and discussed

Improving the Performances of Random Copolymer Based Organic Solar Cells by Adjusting the Film Features of Active Layers Using Mixed Solvents

Directory of Open Access Journals (Sweden)

Xiangwei Zhu

2015-12-01

Full Text Available A novel random copolymer based on donor–acceptor type polymers containing benzodithiophene and dithienosilole as donors and benzothiazole and diketopyrrolopyrrole as acceptors was designed and synthesized by Stille copolymerization, and their optical, electrochemical, charge transport, and photovoltaic properties were investigated. This copolymer with high molecular weight exhibited broad and strong absorption covering the spectra range from 500 to 800 nm with absorption maxima at around 750 nm, which would be very conducive to obtaining large short-circuits current densities. Unlike the general approach using single solvent to prepare the active layer film, mixed solvents were introduced to change the film feature and improve the morphology of the active layer, which lead to a significant improvement of the power conversion efficiency. These results indicate that constructing random copolymer with multiple donor and acceptor monomers and choosing proper mixed solvents to change the characteristics of the film is a very promising way for manufacturing organic solar cells with large current density and high power conversion efficiency.

Extractability of Lanthanoids(III) into Solvents Contributing to Environmental Protection

International Nuclear Information System (INIS)

Hasegawa, Y.; Hara, M.

1999-01-01

To perform effective mutual separation of lanthanoids(III) by solvent extraction with avoiding several problems caused by diffusion of organic solvents into air and into water , into commercial available mixed solvents, aliphatic and aromatic solvents consisting of carbon number of 9 to 12, which have high flash points, the extraction of lanthanoid(III) thiocyanates with trioctylphosphine oxide has been measured and the equilibrium constants have been determined across lanthanoid series. Then the extraction constants were compared with those of single solvents, hexane and benzene , widely being used as solvents for liquid-liquid extraction. The extraction constants obtained for the aliphatic mixed solvents are very similar to those for hexane across lanthanoid series. The variation of the constants for aromatic mixed solvents is also similar to that for benzene. The pattern of the variation of the distribution ratio under a constant condition across the series is similar to each other, either using the aliphatic solvents or using aromatic ones, except for in the middle of the series. Accordingly, the use of the high molecular weight mixed aromatic solvents would be recommendable as organic solvents in the mutual separation of lanthanoids from the point of view of safety for fire and health for the people handling the extraction

Controlled Crystal Grain Growth in Mixed Cation-Halide Perovskite by Evaporated Solvent Vapor Recycling Method for High Efficiency Solar Cells.

Science.gov (United States)

Numata, Youhei; Kogo, Atsushi; Udagawa, Yosuke; Kunugita, Hideyuki; Ema, Kazuhiro; Sanehira, Yoshitaka; Miyasaka, Tsutomu

2017-06-07

We developed a new and simple solvent vapor-assisted thermal annealing (VA) procedure which can reduce grain boundaries in a perovskite film for fabricating highly efficient perovskite solar cells (PSCs). By recycling of solvent molecules evaporated from an as-prepared perovskite film as a VA vapor source, named the pot-roast VA (PR-VA) method, finely controlled and reproducible device fabrication was achieved for formamidinium (FA) and methylammonium (MA) mixed cation-halide perovskite (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 . The mixed perovskite was crystallized on a low-temperature prepared brookite TiO 2 mesoporous scaffold. When exposed to very dilute solvent vapor, small grains in the perovskite film gradually unified into large grains, resulting in grain boundaries which were highly reduced and improvement of photovoltaic performance in PSC. PR-VA-treated large grain perovskite absorbers exhibited stable photocurrent-voltage performance with high fill factor and suppressed hysteresis, achieving the best conversion efficiency of 18.5% for a 5 × 5 mm 2 device and 15.2% for a 1.0 × 1.0 cm 2 device.

Structural transition of a homopolymer in solvents mixture

International Nuclear Information System (INIS)

Guettari, Moez; Aschi, Adel; Gomati, Riadh; Gharbi, Abdelhafidh

2008-01-01

The present work is aimed at studying the thermodynamic behaviour of a polymer in solvents mixture. Dynamic light scattering is used to measure the hydrodynamic radius of polyvinylpyrrolidone (M w = 360,000 g/mol), in water/methanol solvents mixture, versus the mixed solvents composition at 25 deg. C. Then, we show that the polymer conformation adopts the Coil-Globule-Coil structure when the methanol molar fraction X A is varied. This transition is attributed to solvent quality change which result from water and methanol complex formation. The polymer contraction rate calculated for each composition takes its maximum value at X A = 0.17. Hildebrand theory assuming the solvents mixture as an equivalent solvent was used to analyze the change in mixed solvents quality. These changes can be attributed to dispersive forces in solvents mixture

A binary mixed integer coded genetic algorithm for multi-objective optimization of nuclear research reactor fuel reloading

Energy Technology Data Exchange (ETDEWEB)

Binh, Do Quang [University of Technical Education Ho Chi Minh City (Viet Nam); Huy, Ngo Quang [University of Industry Ho Chi Minh City (Viet Nam); Hai, Nguyen Hoang [Centre for Research and Development of Radiation Technology, Ho Chi Minh City (Viet Nam)

2014-12-15

This paper presents a new approach based on a binary mixed integer coded genetic algorithm in conjunction with the weighted sum method for multi-objective optimization of fuel loading patterns for nuclear research reactors. The proposed genetic algorithm works with two types of chromosomes: binary and integer chromosomes, and consists of two types of genetic operators: one working on binary chromosomes and the other working on integer chromosomes. The algorithm automatically searches for the most suitable weighting factors of the weighting function and the optimal fuel loading patterns in the search process. Illustrative calculations are implemented for a research reactor type TRIGA MARK II loaded with the Russian VVR-M2 fuels. Results show that the proposed genetic algorithm can successfully search for both the best weighting factors and a set of approximate optimal loading patterns that maximize the effective multiplication factor and minimize the power peaking factor while satisfying operational and safety constraints for the research reactor.

A binary mixed integer coded genetic algorithm for multi-objective optimization of nuclear research reactor fuel reloading

International Nuclear Information System (INIS)

Binh, Do Quang; Huy, Ngo Quang; Hai, Nguyen Hoang

2014-01-01

This paper presents a new approach based on a binary mixed integer coded genetic algorithm in conjunction with the weighted sum method for multi-objective optimization of fuel loading patterns for nuclear research reactors. The proposed genetic algorithm works with two types of chromosomes: binary and integer chromosomes, and consists of two types of genetic operators: one working on binary chromosomes and the other working on integer chromosomes. The algorithm automatically searches for the most suitable weighting factors of the weighting function and the optimal fuel loading patterns in the search process. Illustrative calculations are implemented for a research reactor type TRIGA MARK II loaded with the Russian VVR-M2 fuels. Results show that the proposed genetic algorithm can successfully search for both the best weighting factors and a set of approximate optimal loading patterns that maximize the effective multiplication factor and minimize the power peaking factor while satisfying operational and safety constraints for the research reactor.

Psychomotor Effects of Mixed Organic Solvents on Rubber Workers

Directory of Open Access Journals (Sweden)

O Aminian

2014-04-01

Full Text Available Background: Exposure to organic solvents is common among workers. Objective: To assess neurobehavioral effects of long-term exposure to organic solvents among rubber workers in Tehran, Iran. Methods: Across-sectional study was conducted on 223 employees of a rubber industry. The participants completed a data collection sheet on their occupational and medical history, and demographic characteristics including age, work experience, education level; they performed 6 psychiatric tests on the neurobehavioral core test battery (NCTB that measure simple reaction time, short-term memory (digit span, Benton, eye-hand coordination (Purdue pegboard, pursuit aiming, and perceptual speed (digit symbol. Results: Workers exposed and not exposed to organic solvents had similar age and education distribution. The mean work experience of the exposed and non-exposed workers was 5.9 and 4.4 years, respectively. The exposed workers had a lower performance compared to non-exposed workers in all psychomotor tests. After controlling for the confounders by logistic regression analysis, it was found that exposure to organic solvents had a significant effect on the results of digit symbols, digit span, Benton, aiming, and simple reaction time tests. No significant effect was observed in pegboard test. Conclusion: Occupational exposure to organic solvent can induce subtle neurobehavioral changes among workers exposed to organic solvents; therefore, periodical evaluation of the central nervous system by objective psychomotor tests is recommended among those who are chronically exposed to organic solvents.

Morphological transformations of diblock copolymers in binary solvents: A simulation study

Science.gov (United States)

Wang, Zheng; Yin, Yuhua; Jiang, Run; Li, Baohui

2017-12-01

Morphological transformations of amphiphilic AB diblock copolymers in mixtures of a common solvent (S1) and a selective solvent (S2) for the B block are studied using the simulated annealing method. We focus on the morphological transformation depending on the fraction of the selective solvent C S2, the concentration of the polymer C p , and the polymer-solvent interactions ɛ ij ( i = A, B; j = S1, S2). Morphology diagrams are constructed as functions of C p , C S2, and/or ɛ AS2. The copolymer morphological sequence from dissolved → sphere → rod → ring/cage → vesicle is obtained upon increasing C S2 at a fixed C p . This morphology sequence is consistent with previous experimental observations. It is found that the selectivity of the selective solvent affects the self-assembled microstructure significantly. In particular, when the interaction ɛ BS2 is negative, aggregates of stacked lamellae dominate the diagram. The mechanisms of aggregate transformation and the formation of stacked lamellar aggregates are discussed by analyzing variations of the average contact numbers of the A or B monomers with monomers and with molecules of the two types of solvent, as well as the mean square end-to-end distances of chains. It is found that the basic morphological sequence of spheres to rods to vesicles and the stacked lamellar aggregates result from competition between the interfacial energy and the chain conformational entropy. Analysis of the vesicle structure reveals that the vesicle size increases with increasing C p or with decreasing C S2, but remains almost unchanged with variations in ɛ AS2.

Determination and correlation of solubility and mixing properties of isonicotinamide (form II) in some pure solvents

Energy Technology Data Exchange (ETDEWEB)

Li, Bingxue; Wu, Yanyang, E-mail: wyywitty@ecust.edu.cn; Zhu, Jiawen; Chen, Kui; Wu, Bin; Ji, Lijun

2016-03-20

Highlights: • Solubility data of isonicotinamide in seven pure solvents were determined. • Five regular thermodynamic models were used to correlate solubility data. • The dissolution properties and mixing properties were predicted. • All solutions studied exhibit high non-ideality by calculating activity coefficients. - Abstract: Solubility data were determined for isonicotinamide in water, ethanol, 2-propanol, n-butanol, 2-butanol, ethyl acetate and butyl acetate from 298.15 to 323.15 K with a static analytic method. The Van’t Hoff equation, modified Apelblat equation, λh (Buchowski) equation and two local composition models (NRTL and UNIQUAC) were used to correlate the solubility data, and modified Apelblat equation shows the best agreement among all the five models. Besides, differential scanning calorimetry were used to determine the crystal forms crystallized in the seven solvents and obtain the melting temperature T{sub m} and fusion enthalpy Δ{sub fus}H{sub m}. Furthermore, the activity coefficients of isonicotinamide and mixing Gibbs free energies, enthalpies, and entropies of the solutions were predicted. All solutions studied exhibit high non-ideality, indicating the important role of homo-molecules interactions for solubility behavior. The dissolution enthalpies and entropies were also estimated in this work.

Charged Nanowire-Directed Growth of Amorphous Calcium Carbonate Nanosheets in a Mixed Solvent for Biomimetic Composite Films.

Science.gov (United States)

Liu, Yangyi; Liu, Lei; Chen, Si-Ming; Chang, Fu-Jia; Mao, Li-Bo; Gao, Huai-Ling; Ma, Tao; Yu, Shu-Hong

2018-04-19

Bio-inspired mineralization is an effective way for fabricating complicated inorganic materials, which inspires us to develop new methods to synthesize materials with fascinating properties. In this article, we report that the charged tellurium nanowires (TeNWs) can be used as bio-macromolecule analogues to direct the formation of amorphous calcium carbonate (ACC) nanosheets (ACCNs) in a mixed solvent. The effects of surface charges and the concentration of the TeNWs on the formation of ACCNs have been investigated. Particularly, the produced ACCNs can be functionalized by Fe3O4 nanoparticles to produce magnetic ACC/Fe3O4 hybrid nanosheets, which can be used to construct ACC/Fe3O4 composite films through a self-evaporation process. Moreover, sodium alginate-ACC nanocomposite films with remarkable toughness and good transmittance can also be fabricated by using such ACCNs as nanoscale building blocks. This mineralization approach in a mixed solvent using charged tellurium nanowires as bio-macromolecule analogues provides a new way for the synthesis of ACCNs, which can be used as nanoscale building blocks for fabrication of biomimetic composite films.

Structural transition of a homopolymer in solvents mixture

Energy Technology Data Exchange (ETDEWEB)

Guettari, Moez [Laboratoire de Physique de la Matiere Molle, Faculte des Sciences de Tunis, Campus Universitaire, 2092 Tunisia (Tunisia)], E-mail: gtarimoez@yahoo.fr; Aschi, Adel; Gomati, Riadh; Gharbi, Abdelhafidh [Laboratoire de Physique de la Matiere Molle, Faculte des Sciences de Tunis, Campus Universitaire, 2092 Tunisia (Tunisia)

2008-07-01

The present work is aimed at studying the thermodynamic behaviour of a polymer in solvents mixture. Dynamic light scattering is used to measure the hydrodynamic radius of polyvinylpyrrolidone (M{sub w} = 360,000 g/mol), in water/methanol solvents mixture, versus the mixed solvents composition at 25 deg. C. Then, we show that the polymer conformation adopts the Coil-Globule-Coil structure when the methanol molar fraction X{sub A} is varied. This transition is attributed to solvent quality change which result from water and methanol complex formation. The polymer contraction rate calculated for each composition takes its maximum value at X{sub A} = 0.17. Hildebrand theory assuming the solvents mixture as an equivalent solvent was used to analyze the change in mixed solvents quality. These changes can be attributed to dispersive forces in solvents mixture.

On The Validity of the Assumed PDF Method for Modeling Binary Mixing/Reaction of Evaporated Vapor in GAS/Liquid-Droplet Turbulent Shear Flow

Science.gov (United States)

Miller, R. S.; Bellan, J.

1997-01-01

An Investigation of the statistical description of binary mixing and/or reaction between a carrier gas and an evaporated vapor species in two-phase gas-liquid turbulent flows is perfomed through both theroetical analysis and comparisons with results from direct numerical simulations (DNS) of a two-phase mixing layer.

The solvent extraction of ytterbium from a molten eutectic

International Nuclear Information System (INIS)

Lengyel, T.

1977-01-01

The paper summarizes the results which were obtained in measurements performed with different binary mixtures of solvents being capable of effectively extracting ytterbium from the molten eutectic lithium nitrate--ammonium nitrate. In the course of elaborating the possible ways of extractive separation of rare earths systematic investigations regarding the individual members of the group are required. The binary solvent mixtures consisted of thenoyl-trifluoracetone (TTA), β-isopropil-tropolone (IPT), tributyl phosphate (TBP), di-2-ethylhexyl phosphoric acid (HDEHP), 2,2'-bipyridyl (bipy), dibutyl phtalate (DBP) and Amberlite LA-2 (LA-2). The concentration of the central ion was kept at 5x10 -6 M by using Yb-169 of high specific activity as a tracer for the radiometric assay. (T.I.)

Distribution of multi-component solvents in solvent vapor extraction chamber

Energy Technology Data Exchange (ETDEWEB)

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

2008-10-15

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

Determination and correlation thermodynamic models for solid–liquid equilibrium of the Nifedipine in pure and mixture organic solvents

International Nuclear Information System (INIS)

Wu, Gang; Hu, Yonghong; Gu, Pengfei; Yang, Wenge; Wang, Chunxiao; Ding, Zhiwen; Deng, Renlun; Li, Tao; Hong, Housheng

2016-01-01

Highlights: • The solubility increased with increasing temperature. • The data were fitted using the modified Apelblat equation in pure solvents. • The data were fitted using the CNIBS/R-K model in binary solvent mixture. - Abstract: Knowledge of thermodynamic parameters on corresponding solid-liquid equilibrium of nifedipine in different solvents is essential for a preliminary study of pharmaceutical engineering and industrial applications. In this paper, a gravimetric method was used to correct the solid-liquid equilibrium of nifedipine in methanol, ethanol, 1-butanol, acetone, acetonitrile, ethyl acetate and tetrahydrofuran pure solvents as well as in the (tetrahydrofuran + acetonitrile) mixture solvents at temperatures from 278.15 K to 328.15 K under 0.1 MPa. For the temperature range investigation, the solubility of nifedipine in the solvents increased with increasing temperature. The solubility of nifedipine in tetrahydrofuran is superior to other selected pure solvents. The modified Apelblat model, the Buchowski-Ksiazaczak λh model, and the ideal model were adopted to describe and predict the change tendency of solubility. Computational results showed that the modified Apelblat model stood out to be more suitable with the higher accuracy. The solubility values were fitted using a modified Apelblat model, a variant of the combined nearly ideal binary solvent/Redich-Kister (CNIBS/R-K) model and Jouyban-Acree model in (tetrahydrofuran + acetonitrile) binary solvent mixture. Computational results showed that the CNIBS/R-K model had more advantages than other models.

Phase-field modeling of mixing/demixing of regular binary mixtures with a composition-dependent viscosity

Science.gov (United States)

Lamorgese, A.; Mauri, R.

2017-04-01

We simulate the mixing (demixing) process of a quiescent binary liquid mixture with a composition-dependent viscosity which is instantaneously brought from the two-phase (one-phase) to the one-phase (two-phase) region of its phase diagram. Our theoretical approach follows a standard diffuse-interface model of partially miscible regular binary mixtures wherein convection and diffusion are coupled via a nonequilibrium capillary force, expressing the tendency of the phase-separating system to minimize its free energy. Based on 2D simulation results, we discuss the influence of viscosity ratio on basic statistics of the mixing (segregation) process triggered by a rapid heating (quench), assuming that the ratio of capillary to viscous forces (a.k.a. the fluidity coefficient) is large. We show that, for a phase-separating system, at a fixed value of the fluidity coefficient (with the continuous phase viscosity taken as a reference), the separation depth and the characteristic length of single-phase microdomains decrease monotonically for increasing values of the viscosity of the dispersed phase. This variation, however, is quite small, in agreement with experimental results. On the other hand, as one might expect, at a fixed viscosity of the dispersed phase both of the above statistics increase monotonically as the viscosity of the continuous phase decreases. Finally, we show that for a mixing system the attainment of a single-phase equilibrium state by coalescence and diffusion is retarded by an increase in the viscosity ratio at a fixed fluidity for the dispersed phase. In fact, for large enough values of the viscosity ratio, a thin film of the continuous phase becomes apparent when two drops of the minority phase approach each other, which further retards coalescence.

Study of the efectiveness of the mixed solvents for radically removing thiophenes from benzene and toluene by extractive rectification

Energy Technology Data Exchange (ETDEWEB)

Miroshnicenko, A.A.; Fedosyuk, A.A.

1981-01-01

A study has been made of the selectivity of solvents under the conditions of liquid-liquid equilibrium in the systems which include thiophene, benzene, toluene, the polar solvent and n-decane. The presence of the latter has maintained the heterogeneity of the mixtures being studied. The systems under consideration were drawn up in volumetric ratios. Equilibrium was studied in thermostat units. The equilibrium phases were analyzed by a special method, while the coefficient of the relative distribution of the components with respect to selectivity was calculated by the known relations. The investigations of the systems with different solvents have shown that there are functionally selective classes of extractants in which selectivity is determined by free unsubstituted functional groups of a solvent. The growth of the selectivity of solvents according to the following classes has been observed: aprotic ones with a keto group < protic ones with a hydroxyl < < unsubstituted amides of acids < sulphones < sulphoxides. To study the liquid-vapor equilibrium, use was made of the most selective extractants (including DMSO, Pyrrolidone-2, carbamide, ethylene carbamide, and NMP) which were revealed earlier in extraction investigations. Since the most selective representative of acid amides, namely, ethylene carbamide and carbamide, are solids, they were studied in mixtures with the less selective liquid solvents of NMP and pyrrolidone-2. NMP-ethylene-carbamide-water and pyrrolidone-2-ethylene carbamida-water are the most selective mixed solvents, and preference is given to the latter one.

Synergistic Effect of Binary Mixed-Pluronic Systems on Temperature Dependent Self-assembly Process and Drug Solubility

Directory of Open Access Journals (Sweden)

Chin-Fen Lee

2018-01-01

Full Text Available Mixed Pluronic micelles from very hydrophobic and very hydrophilic copolymers were selected to scrutinize the synergistic effect on the self-assembly process as well as the solubilization capacity of ibuprofen. The tendency of mixing behavior between parent copolymers was systematically examined from two perspectives: different block chain lengths at same hydrophilicity (L92 + F108, +F98, +F88, and +F68, as well as various hydrophobicities at the same PPO moiety (L92 + F88, +F87, and +P84. Temperature-dependent micellization in these binary systems was clearly inspected by the combined use of high sensitivity differential scanning calorimeter (HSDSC and dynamic light scattering (DLS. Changes in heat capacity and size of aggregates at different temperatures during the whole micellization process were simultaneously observed and examined. While distinction of block chain length between parent copolymers increases, the monodispersity of the binary Pluronic systems decreases. However, parent copolymers with distinct PPO moieties do not affirmatively lead to non-cooperative binding, such as the L92 + P84 system. The addition of ibuprofen promotes micellization as well as stabilizes aggregates in the solution. The partial replacement of the hydrophilic Pluronic by a more hydrophobic Pluronic L92 would increase the total hydrophobicity of mixed Pluronics used in the system to substantially enhance the solubility of ibuprofen. The solubility of ibuprofen in the 0.5 wt % L92 + 0.368 wt % P84 system is as high as 4.29 mg/mL, which is 1.4 times more than that of the 0.868 wt % P84 system and 147 times more than that in pure water at 37 °C.

Freezing Point Depressions of Phase Change CO2 Solvents

DEFF Research Database (Denmark)

Arshad, Muhammad Waseem; Fosbøl, Philip Loldrup; von Solms, Nicolas

2013-01-01

Freezing point depressions (FPD) in phase change solvents containing 2-(diethylamino)ethanol (DEEA) and 3-(methylamino)propylamine (MAPA) were measured using a modified Beckmann apparatus. The measurements were performed for the binary aqueous DEEA and MAPA solutions, respectively...

Modeling of the Mixed Solvent Electrolyte System CO2-Na2CO3-NaHCO3-Monoethylene Glycol-Water

DEFF Research Database (Denmark)

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

2009-01-01

The extended UNIQUAC electrolyte activity coefficient model has been correlated to 751 experimental solid−liquid equilibrium (SLE), vapor−liquid equilibrium (VLE), and excess enthalpy data for the mixed solvent CO2−NaHCO3−Na2CO3−monoethylene glycol(MEG)−H2O electrolyte system. The model...

Sol-gel type synthesis of Bi.sub.2 (Sr,Ta.sub.2)O.sub.9 using an acetate based system

Science.gov (United States)

Boyle, Timothy J.

1997-01-01

A method of forming a layered-perovskite bismuth-strontium-tantalum oxide (SBT) ferroelectric material is performed by dissolving a bismuth compound in a first solvent to form a first solution, mixing a strontium compound and a tantalum compound to form a binary mixture, dissolving the binary mixture in a second solvent to form a second solution, mixing the first solution with the second solution to form a SBT precursor solution, evaporating the first and second solvents to form a SBT precursor material and subsequently sintering said SBT precursor material in the presence of oxygen.

Adsorption chromatographic separation of radioiodine-labelled compounds using binary eluents

International Nuclear Information System (INIS)

Toth, G.

1980-01-01

An adsorption chromatographic method using Sephadex LH-20 dextran gel as adsorbent and water-organic solvent binary eluents was developed for the systematic separation of low molecular weight radioiodine-labelled substances like iodothyronines, iodobenzoic acids and iodotyrosine methyl ester derivatives of prostaglandins, steroids etc. The adsorbed iodine compounds were separated by water-organic solvent mixture, and the order of the compounds is in accordance with the increasing number of iodine substituents per molecule. A method is reported which enables the calculation of the eluent strength of the water-organic solvent eluents. (author)

[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.

Micellar solubilization in strongly interacting binary surfactant systems. [Binary surfactant systems of: dodecyltrimethylammonium chloride + sodium dodecyl sulfate; benzyldimethyltetradecylammonium chloride + tetradecyltrimethylammonium chloride

Energy Technology Data Exchange (ETDEWEB)

Treiner, C. (Universite Pierre et Marie Curie, Paris (France)); Nortz, M.; Vaution, C. (Faculte de Pharmacie de Paris-sud, Chatenay-Malabry (France))

1990-07-01

The apparent partition coefficient P of barbituric acids between micelles and water has been determined in mixed binary surfactant solutions from solubility measurements in the whole micellar composition range. The binary systems chosen ranged from the strongly interacting system dodecyltrimethylammonium chloride + sodium dodecyl sulfate to weakly interacting systems such as benzyldimethyltetradecylammonium chloride + tetradecyltrimethyammonium chloride. In all cases studied, mixed micelle formation is unfavorable to micellar solubilization. A correlation is found between the unlike surfactants interaction energy, as measured by the regular solution parameter {beta} and the solute partition coefficient change upon surfactant mixing. By use of literature data on micellar solubilization in binary surfactant solutions, it is shown that the change of P for solutes which are solubilized by surface adsorption is generally governed by the sign and amplitude of the interaction parameter {beta}.

Prevalence of pure versus mixed snow cover pixels across spatial resolutions in alpine environments: implications for binary and fractional remote sensing approaches

Science.gov (United States)

Selkowitz, David J.; Forster, Richard; Caldwell, Megan K.

2014-01-01

Remote sensing of snow-covered area (SCA) can be binary (indicating the presence/absence of snow cover at each pixel) or fractional (indicating the fraction of each pixel covered by snow). Fractional SCA mapping provides more information than binary SCA, but is more difficult to implement and may not be feasible with all types of remote sensing data. The utility of fractional SCA mapping relative to binary SCA mapping varies with the intended application as well as by spatial resolution, temporal resolution and period of interest, and climate. We quantified the frequency of occurrence of partially snow-covered (mixed) pixels at spatial resolutions between 1 m and 500 m over five dates at two study areas in the western U.S., using 0.5 m binary SCA maps derived from high spatial resolution imagery aggregated to fractional SCA at coarser spatial resolutions. In addition, we used in situ monitoring to estimate the frequency of partially snow-covered conditions for the period September 2013–August 2014 at 10 60-m grid cell footprints at two study areas with continental snow climates. Results from the image analysis indicate that at 40 m, slightly above the nominal spatial resolution of Landsat, mixed pixels accounted for 25%–93% of total pixels, while at 500 m, the nominal spatial resolution of MODIS bands used for snow cover mapping, mixed pixels accounted for 67%–100% of total pixels. Mixed pixels occurred more commonly at the continental snow climate site than at the maritime snow climate site. The in situ data indicate that some snow cover was present between 186 and 303 days, and partial snow cover conditions occurred on 10%–98% of days with snow cover. Four sites remained partially snow-free throughout most of the winter and spring, while six sites were entirely snow covered throughout most or all of the winter and spring. Within 60 m grid cells, the late spring/summer transition from snow-covered to snow-free conditions lasted 17–56 days and averaged 37

Bilayer formation in thin films of a binary solution

International Nuclear Information System (INIS)

Govor, L.V.; Reiter, G.; Bauer, G.H.; Parisi, J.

2006-01-01

We consider the formation of a pattern of micrometer-size droplets formed by phase separation in a binary solution composed of a nitrocellulose (NC) solution in amyl acetate and a hexadecylamine (HDA) solution in hexane. Spreading of this solution on a water surface leads to the formation of a bilayer with a top HDA and a lower NC solution layer. The formation of the bilayer was confirmed via spin-coating a similar binary solution on a Si substrate and an HDA solution in hexane on a NC/Si substrate. The subsequent evaporation of the solvents from both layers gives rise to a fast thickness decrease of the top HDA solution layer that decomposes into droplets. The discretely developing increase of the thickness of the HDA droplets can be explained only with the formation of HDA micelles in solution during solvent evaporation

Bilayer formation in thin films of a binary solution

Energy Technology Data Exchange (ETDEWEB)

Govor, L.V. [Institute of Physics, University of Oldenburg, D-26111 Oldenburg (Germany)]. E-mail: leonid.govor@uni-oldenburg.de; Reiter, G. [Institut de Chimie des Surfaces et Interfaces, CNRS-UHA, F-8057 Mulhouse cedex (France); Bauer, G.H. [Institute of Physics, University of Oldenburg, D-26111 Oldenburg (Germany); Parisi, J. [Institute of Physics, University of Oldenburg, D-26111 Oldenburg (Germany)

2006-04-24

We consider the formation of a pattern of micrometer-size droplets formed by phase separation in a binary solution composed of a nitrocellulose (NC) solution in amyl acetate and a hexadecylamine (HDA) solution in hexane. Spreading of this solution on a water surface leads to the formation of a bilayer with a top HDA and a lower NC solution layer. The formation of the bilayer was confirmed via spin-coating a similar binary solution on a Si substrate and an HDA solution in hexane on a NC/Si substrate. The subsequent evaporation of the solvents from both layers gives rise to a fast thickness decrease of the top HDA solution layer that decomposes into droplets. The discretely developing increase of the thickness of the HDA droplets can be explained only with the formation of HDA micelles in solution during solvent evaporation.

Mixed Redox Catalytic Destruction of Chlorinated Solvents in Soils and Groundwater: From the Laboratory to the Field

OpenAIRE

Gao, Song; Rupp, Erik; Bell, Suzanne; Willinger, Martin; Foley, Theresa; Barbaris, Brian; Sáez, A. Eduardo; Arnold, Robert G.; Betterton, Eric

2008-01-01

A new thermocatalytic method to destroy chlorinated solvents has been developed in the laboratory and tested in a pilot field study. The method employs a conventional Pt/Rh catalyst on a ceramic honeycomb. Reactions proceed at moderate temperatures in the simultaneous presence of oxygen and a reductant (mixed redox conditions) to minimize catalyst deactivation. In the laboratory, stable operation with high conversions (above 90% at residence times shorter than 1 s) for perchloroethylene (PCE)...

Studies on the absorption of uranium and plutonium on macroporous anion-exchange resins from mixed solvent media

International Nuclear Information System (INIS)

Chetty, K.V.; Mapara, P.M.; Godbole, A.G.; Swarup, Rajendra

1995-01-01

The ion-exchange studies on uranium and plutonium using macroporous anion-exchange resins from an aqueous-organic solvent mixed media were carried out to develop a method for their separation. Out of the several water miscible organic solvents tried, methanol and acetone were found to be best suited. Distribution data for U(VI) and Pu(IV) for three macroporous resins Tulsion A-27(MP) (strong base), Amberlyst A-26(MP) (strong base) and Amberlite XE-270(MP) (weak base) as a function of (i) nitric acid concentration (ii) organic solvent concentration were obtained. Based on the data separation factors for Pu/U were calculated. Column experiments using Tulsion A-27(MP) from a synthetic feed (HNO 3 - methanol and HNO 3 - acetone) containing Pu and U in different ratios were carried out. Plutonium was recovered from the bulk of the actual solution generated during the dissolution of plutonium bearing fuels. The method has the advantage of loading plutonium from as low as 1M nitric acid in presence of methanol or acetone and could be used satisfactorily for its recovery from solutions containing plutonium and uranium. (author). 11 refs., 4 figs., 16 tabs

Measuring the composition-curvature coupling in binary lipid membranes by computer simulations

International Nuclear Information System (INIS)

Barragán Vidal, I. A.; Müller, M.; Rosetti, C. M.; Pastorino, C.

2014-01-01

The coupling between local composition fluctuations in binary lipid membranes and curvature affects the lateral membrane structure. We propose an efficient method to compute the composition-curvature coupling in molecular simulations and apply it to two coarse-grained membrane models—a minimal, implicit-solvent model and the MARTINI model. Both the weak-curvature behavior that is typical for thermal fluctuations of planar bilayer membranes as well as the strong-curvature regime corresponding to narrow cylindrical membrane tubes are studied by molecular dynamics simulation. The simulation results are analyzed by using a phenomenological model of the thermodynamics of curved, mixed bilayer membranes that accounts for the change of the monolayer area upon bending. Additionally the role of thermodynamic characteristics such as the incompatibility between the two lipid species and asymmetry of composition are investigated

Measuring the composition-curvature coupling in binary lipid membranes by computer simulations

Energy Technology Data Exchange (ETDEWEB)

Barragán Vidal, I. A., E-mail: vidal@theorie.physik.uni-goettingen.de; Müller, M., E-mail: mmueller@theorie.physik.uni-goettingen.de [Institut für Theoretische Physik, Georg-August-Universität, Friedrich-Hund-Platz 1, 37077 Göttingen (Germany); Rosetti, C. M., E-mail: carla@dqb.fcq.unc.edu.ar [Centro de Investigaciones en Química Biológica de Córdoba, Departamento de Química Biológica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba (Argentina); Pastorino, C., E-mail: pastor@cnea.gov.ar [Departamento de Física de la Materia Condensada, Centro Atómico Constituyentes, CNEA/CONICET, Av. Gral. Paz 1499, 1650 Pcia. de Buenos Aires (Argentina)

2014-11-21

The coupling between local composition fluctuations in binary lipid membranes and curvature affects the lateral membrane structure. We propose an efficient method to compute the composition-curvature coupling in molecular simulations and apply it to two coarse-grained membrane models—a minimal, implicit-solvent model and the MARTINI model. Both the weak-curvature behavior that is typical for thermal fluctuations of planar bilayer membranes as well as the strong-curvature regime corresponding to narrow cylindrical membrane tubes are studied by molecular dynamics simulation. The simulation results are analyzed by using a phenomenological model of the thermodynamics of curved, mixed bilayer membranes that accounts for the change of the monolayer area upon bending. Additionally the role of thermodynamic characteristics such as the incompatibility between the two lipid species and asymmetry of composition are investigated.

Correlation and prediction of mixing thermodynamic properties of ester-containing systems: Ester + alkane and ester + ester binary systems and the ternary dodecane + ethyl pentanoate + ethyl ethanoate

International Nuclear Information System (INIS)

Pérez, Noelia; Fernández, Luís; Ortega, Juan; Toledo, Francisco J.; Wisniak, Jaime

2012-01-01

Highlights: ► Excess enthalpies and volumes were measured for ester–ester–alkane. ► Mixing behaviour for ester–ester, ester–alkane and ester–ester–alkane are analyzed. ► Correlations with a new polynomial model reproduce well the mixing properties. ► UNIFAC predictions for h E result acceptable excluding the ester–ester mixtures. - Abstract: Excess thermodynamic properties V m E and H m E , have been measured for the ternary mixture dodecane + ethyl pentanoate + ethyl ethanoate and for the corresponding binaries dodecane + ethyl pentanoate, dodecane + ethyl ethanoate, ethyl pentanoate + ethyl ethanoate at 298.15 K. All mixtures show endothermic and expansive effects. Experimental results are correlated with a suitable equation whose final form for the excess ternary quantity M E contains the particular contributions of the three binaries (i–j) and a last term corresponding to the ternary, all of them obtained considering fourth-order interactions. The fit goodness for all mixtures is good and comparable to others equations taken from the literature. In this work the dissolution model for the binaries and ternary is analyzed with a special attention to ester–ester binaries whose behaviour is discussed. The application of the UNIFAC group contribution model to estimate the H m E yields acceptable results for the binaries (with the exception of ester–ester) and for the ternary mixture.

Bulk heterojunction organic photovoltaic cell fabricated by the electrospray deposition method using mixed organic solvent

Energy Technology Data Exchange (ETDEWEB)

Fukuda, Takeshi; Takagi, Kenji; Asano, Takashi [Department of Functional Materials Science, Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama 338-8570 (Japan); RIKEN, 2-1 Hirosawa, Wakou-shi, Saitama 351-0198 (Japan); Honda, Zentaro; Kamata, Norihiko; Ueno, Keiji; Shirai, Hajime [Department of Functional Materials Science, Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama 338-8570 (Japan); Ju, Jungmyoung; Yamagata, Yutaka; Tajima, Yusuke [RIKEN, 2-1 Hirosawa, Wakou-shi, Saitama 351-0198 (Japan)

2011-07-15

A high-efficiency bulk heterojunction organic photovoltaic cell (OPV) was achieved by the electrospray deposition method. The surface roughness of the P3HT:PCBM thin film can be reduced using the mixed solvent consisting of o-dichlorobenzene (o-DCB) and acetone. The effect of acetone concentration is related to its dielectric constant. Under an optimized concentration of acetone in o-DCB (20 vol%), the P3HT/PCBM active layer with a smooth surface can be formed, and the power conversion efficiency of the OPV was 1.9%. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Sol-gel type synthesis of Bi{sub 2}(Sr,Ta{sub 2})O{sub 9} using an acetate based system

Science.gov (United States)

Boyle, T.J.

1997-11-04

A method of forming a layered-perovskite bismuth-strontium-tantalum oxide (SBT) ferroelectric material is performed by dissolving a bismuth compound in a first solvent to form a first solution, mixing a strontium compound and a tantalum compound to form a binary mixture, dissolving the binary mixture in a second solvent to form a second solution, mixing the first solution with the second solution to form a SBT precursor solution, evaporating the first and second solvents to form a SBT precursor material and subsequently sintering said SBT precursor material in the presence of oxygen. 6 figs.

Iodine removing method in organic solvent

International Nuclear Information System (INIS)

Suzuki, Takeo; Sakurai, Manabu

1988-01-01

Purpose: To effectively remove iodine in an organic solvent to thereby remove iodine in the solvent that can be re-used or put to purning treatment. Method: Organic solvent formed from wastes of nuclear facilities is mixed with basic lead acetate, or silica gel or activated carbon incorporated with such a compound to adsorb iodine in the organic solvent to the basic lead acetate. Then, iodine in the organic solvent is removed by separating to eliminate the basic lead acetate adsorbing iodine from the organic solvent or by passing the organic solvent through a tower or column charged or pre-coated with silica gel or activated carbon incorporated with lead acetate. By using basic lead acetate as the adsorbents, iodine can effective by adsorbed and eliminated. Thus, the possibility of circumstantial release of iodine can be reduced upon reusing or burning treatment of the organic solvent. (Kamimura, M.)

Study on preparation and thermal property of binary fatty acid and the binary fatty acids/diatomite composite phase change materials

International Nuclear Information System (INIS)

Li, Min; Kao, Hongtao; Wu, Zhishen; Tan, Jinmiao

2011-01-01

This study prepared a series of binary phase change materials by mixing decanoic acid, dodecanoic acid, hexadecanoic acid and octadecanoic acid each other. The phase-transition temperature of binary fatty acid and its corresponding mixing proportion are calculated with phase diagram thermodynamic method. The results are verified by the experimental result of the heat absorption curve and the Differential Scanning Calorimetry (DSC) analysis curve. The results show that the calculation method of phase diagram thermodynamic calculation can be taken as a basis for mixing proportion of binary fatty acid phase change materials. In addition, the decanoic-dodecanoic acid/diatomite composite phase change material (PCM) are prepared and its microstructure, thermal property and thermal reliability are characterized. The result shows that the decanoic-dodecanoic acid is uniformly adsorbed into diatomite and the form-stable PCM are formed. The phase-transition temperature and the latent heat of the decanoic-dodecanoic acid/diatomite composite PCMs is 16.74 o C and 66.8114 J/g, respectively.

Re-Refining of Waste Lubricating Oil by Solvent Extraction

Directory of Open Access Journals (Sweden)

Hassan Ali Durrani

2011-04-01

Full Text Available Re-refining of waste lubricating oil by solvent extraction is one of the potential techniques. The advantages of solvent extraction technique practically offers from environmental and economic points of view have received due attention. In this paper selection of composite solvent and technique to upgrade the used lubricant oil into base oil has been made. The composite solvent 2-propanol, 1-butanol and butanone have two alcohols that make a binary system reasonably effective. This work also attempts to study the performance of the composite solvent in the extraction process for recovering waste lubricating oil. The key parameters considered were vacuum pressure, temperature and the weight ratio of solvent to waste lubricating oil. The performance was investigated on the PSR (Percentage Sludge Removal and POL (Percent Oil Loss. The best results were obtained using composite solvent 25% 2-propanol, 37% 1-butanol and 38% butanone by a solvent to oil ratio of 6:1 at vacuum pressure 600mmHg and distillation temperature 250oC. The vacuum distilled oil pretreated with the composite solvents was matched to the standard base oil 500N and 150N, found in close agreement and could be used for similar purpose.

Solution thermodynamics of valnemulin hydrogen fumarate in different pure solvents

International Nuclear Information System (INIS)

Ouyang, Jinbo; Wang, Jingkang; Huang, Xin; Bao, Ying; Wang, Yongli; Yin, Qiuxiang; Liu, Ailing; Li, Xudong; Hao, Hongxun

2015-01-01

Highlights: • The solubility of valnemulin hydrogen fumarate in five pure solvents was experimentally determined. • The solubility data were correlated by Wilson model, NRTL model and UNIQUAC model. • Mixing thermodynamic properties of valnemulin hydrogen fumarate in five pure solvents were calculated. - Abstract: Solubility of valnemulin hydrogen fumarate in five pure solvents was determined within temperature range of (278.15 to 323.15) K by a gravimetric method. The results show that the solubility of valnemulin hydrogen fumarate in tested pure solvents increases with the increasing temperature. The solubility values were correlated by the Wilson model, NRTL model and UNIQUAC model. The UNIQUAC volume parameter, area parameter, and Wilson liquid molar volume parameter of valnemulin hydrogen fumarate were estimated by the group contribution method. It was found that the correlated results are in good agreement with the experimental results. Furthermore, the mixing thermodynamic properties of valnemulin hydrogen fumarate in solutions, including the mixing Gibbs energy, the mixing enthalpy and entropy, were determined by using the Wilson model and the experimental solubility results.

Influence of processes of structure formation in mixed solvent and anion nature on cadmium ions discharge kinetics from water-dimethylformamide electrolyte

International Nuclear Information System (INIS)

Kuznetsov, V.V.; Bozhenko, L.G.; Kucherenko, S.S.; Fedorova, O.V.

1986-01-01

Electrochemical reaction of cadmium ion discharge in water-dimethylformamide (DMF) solutions is studied. The influence of DMF concentration in the presence of different anions (ClO 4 - , F - , I - ) on both reaction kinetics and mechanism is discussed on the basis of structural transformations in the mixed solvent and near the surface electrode processes

Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation

Science.gov (United States)

Paluch, Andrew S.; Parameswaran, Sreeja; Liu, Shuai; Kolavennu, Anasuya; Mobley, David L.

2015-01-01

We present a general framework to predict the excess solubility of small molecular solids (such as pharmaceutical solids) in binary solvents via molecular simulation free energy calculations at infinite dilution with conventional molecular models. The present study used molecular dynamics with the General AMBER Force Field to predict the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol solvents. The simulations are able to predict the existence of solubility enhancement and the results are in good agreement with available experimental data. The accuracy of the predictions in addition to the generality of the method suggests that molecular simulations may be a valuable design tool for solvent selection in drug development processes.

Light scattering from a binary-liquid entanglement gel

Science.gov (United States)

Xia, K.-Q.; Maher, J. V.

1987-09-01

Light-scattering experiments have been carried out on an entanglement gel with a binary-liquid mixture as solvent. The onset temperature for critical opalescence has a composition dependence which is similar to the coexistence curve of the free-liquid mixture. This system resembles previously reported work on the cross-linked gel polyacrylamide in two ways: (1) As temperature is lowered toward the critical temperature of the free-liquid mixture, the binary-fluid gel exhibits a strong and increasing light scattering over a broad temperature region of several kelvins, and (2) no appreciable temporal fluctuations are observed throughout this temperature region. Two added features are observed in the present, entanglement-gel measurements: (a) Gel samples with solvent composition both near and off the critical composition of the free-liquid mixture exhibit similar light-scattering behavior, and (b) a Lorentzian-squared fit to the light-scattering angular distributions yields a characteristic wave number which does not change with temperature and an amplitude which shows a very strong dependence on the temperature.

Density and vapour pressure of mixed-solvent desiccant systems (propylene glycol or dipropylene glycol or tripropylene glycol + magnesium chloride + water)

International Nuclear Information System (INIS)

Chen, Shang-Yi; Soriano, Allan N.; Leron, Rhoda B.; Li, Meng-Hui

2014-01-01

In this present work, new experimental data for density and vapour pressure of the mixed-solvent desiccant systems containing {40 wt% glycol (propylene or dipropylene or tripropylene) + (4 or 9 or 16 wt%) magnesium chloride salt + water} were reported for temperatures up to 343.15 K at normal atmospheric condition. The density and vapour pressure data obtained are presented as a function of temperature and composition. An empirical equation was used to correlate the temperature and compositional dependence of the density values. A model based on the mean spherical approximation for aqueous electrolyte solutions incorporating the pseudo-solvent approach was used to represent the vapour pressure as a function of temperature and composition. Satisfactory results were obtained for both density and vapour pressure calculations

Effect of solvent blending on cycling characteristics of lithium

Energy Technology Data Exchange (ETDEWEB)

Morita, Masayuki; Matsuda, Yoshiharu

1987-07-01

The suitability of electrolytes using mixed solvents has been examined for ambient temperature, rechargeable lithium batteries. Sulfolane (S) and dimethylsulfoxide (DMSO) have been used as base solvents because of their high permittivity, and ethers such as 1,2-dimethoxyethane (DME) have been blended as a low viscosity co-solvent. This blending has been found to yield electrolytes with a high conductivity, and maximum values are observed in solutions with 40-90 mol% ether. The cycling characteristics of lithium are also improved by blending the ethers. The coulombic efficiencies on a nickel substrate are greater than or equal to 80% in S-DME/LiPF/sub 6/ and DMSO-DME/LiPF/sub 6/ solutions. The lithium electrode characteristics are markedly dependent on the type of co-solvent ether, as well as on the electrolytic salt. The results of the conductance behaviour and the electrode characteristics are discussed in terms of ionic structure in the mixed solvent and the state of the electrode/electrolyte interphase.

Response Surface Optimization of Rotenone Using Natural Alcohol-Based Deep Eutectic Solvent as Additive in the Extraction Medium Cocktail

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Zetty Shafiqa Othman

2017-01-01

Full Text Available Rotenone is a biopesticide with an amazing effect on aquatic life and insect pests. In Asia, it can be isolated from Derris species roots (Derris elliptica and Derris malaccensis. The previous study revealed the comparable efficiency of alcohol-based deep eutectic solvent (DES in extracting a high yield of rotenone (isoflavonoid to binary ionic liquid solvent system ([BMIM]OTf and organic solvent (acetone. Therefore, this study intends to analyze the optimum parameters (solvent ratio, extraction time, and agitation rate in extracting the highest yield of rotenone extract at a much lower cost and in a more environmental friendly method by using response surface methodology (RSM based on central composite rotatable design (CCRD. By using RSM, linear polynomial equations were obtained for predicting the concentration and yield of rotenone extracted. The verification experiment confirmed the validity of both of the predicted models. The results revealed that the optimum conditions for solvent ratio, extraction time, and agitation rate were 2 : 8 (DES : acetonitrile, 19.34 hours, and 199.32 rpm, respectively. At the optimum condition of the rotenone extraction process using DES binary solvent system, this resulted in a 3.5-fold increase in a rotenone concentration of 0.49 ± 0.07 mg/ml and yield of 0.35 ± 0.06 (%, w/w as compared to the control extract (acetonitrile only. In fact, the rotenone concentration and yield were significantly influenced by binary solvent ratio and extraction time (P<0.05 but not by means of agitation rate. For that reason, the optimal extraction condition using alcohol-based deep eutectic solvent (DES as a green additive in the extraction medium cocktail has increased the potential of enhancing the rotenone concentration and yield extracted.

STABILITY OF BINARY COMPLEXES OF L-ASPARTIC ACID IN ...

African Journals Online (AJOL)

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KEY WORDS: Binary complexes, Stability constants, Aspartic acid, Speciation, Dioxan. INTRODUCTION. 1,4-Dioxan (Dox) is ... It is miscible with water, oils, and most organic solvents, including aromatic .... of mineral acid in metal ion and ligand solutions was determined using the Gran plot method. [28, 29]. To assess the ...

Extended UNIQUAC model for correlation and prediction of vapour-liquid-solid equilibria in aqueous salt systems containing non-electrolytes

DEFF Research Database (Denmark)

Iliuta, Maria C.; Thomsen, Kaj; Rasmussen, Peter

2000-01-01

to aqueous salt systems containing non-electrolytes in order to demonstrate its ability in representing solid-liquid-vapour (SLV) equilibrium and thermal property data for these strongly non-ideal systems. The model requires only pure component and binary temperature-dependent interaction parameters....... The calculations are based on an extensive database consisting of salt solubility data in pure and mixed solvents, VLE data for solvent mixtures and mixed solvent-electrolyte systems and thermal properties for mixed solvent solutions. Application of the model to the methanol-water system in the presence of several...... ions (Na+, K+, NH4+, Cl-, NO3-, SO42-, CO2- and HCO3-) shows that the Extended UNIQUAC model is able to give an accurate description of VLE and SLE in ternary add quaternary mixtures, using the name set of binary interaction parameters. The capability of the model to predict accurately the phase...

Solubility of clonazepam and diazepam in binary and ternary mixtures of polyethylene glycols 400 or 600, propylene glycol and water at 298.2K - experimental data and modeling

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Bastami Zahra

2014-01-01

Full Text Available Experimental molar solubilities of clonazepam and diazepam in binary and ternary mixtures of polyethylene glycols (PEGs 400 or 600, propylene glycol (PG and water (138 data points along with the density of the saturated solutions at 298.2K were reported. The Jouyban-Acree model was used to fit to the measurements for providing a computational method. Employing the solubilities in the mono-solvents, the measured solubilities in mixed solvents were back-calculated and the overall mean percentage deviations (OMPDs of the model were 16.0 % and 19.2% for diazepam and clonazepam, respectively. Addition of the Hansen solubility parameters to the model helps us to train all the data sets (clonazepam and diazepam at once and the back-calculated OMPD for this analysis was 19.3%.

A new decomposition-based computer-aided molecular/mixture design methodology for the design of optimal solvents and solvent mixtures

DEFF Research Database (Denmark)

Karunanithi, A.T.; Achenie, L.E.K.; Gani, Rafiqul

2005-01-01

This paper presents a novel computer-aided molecular/mixture design (CAMD) methodology for the design of optimal solvents and solvent mixtures. The molecular/mixture design problem is formulated as a mixed integer nonlinear programming (MINLP) model in which a performance objective is to be optim......This paper presents a novel computer-aided molecular/mixture design (CAMD) methodology for the design of optimal solvents and solvent mixtures. The molecular/mixture design problem is formulated as a mixed integer nonlinear programming (MINLP) model in which a performance objective...... is to be optimized subject to structural, property, and process constraints. The general molecular/mixture design problem is divided into two parts. For optimal single-compound design, the first part is solved. For mixture design, the single-compound design is first carried out to identify candidates...... and then the second part is solved to determine the optimal mixture. The decomposition of the CAMD MINLP model into relatively easy to solve subproblems is essentially a partitioning of the constraints from the original set. This approach is illustrated through two case studies. The first case study involves...

Effect of solvent evaporation and coagulation on morphology development of asymmetric membranes

Science.gov (United States)

Chandrasekaran, Neelakandan; Kyu, Thein

2008-03-01

Miscibility behavior of blends of amorphous polyamide (PA) and polyvinylpyrrolidone (PVP) was studied in relation to membrane formation. Dimethylsulfoxide (DMSO) and water were used as solvent and non-solvent, respectively. Differential scanning calorimetry and cloud point measurements revealed that the binary PA/PVP blends as well as the ternary PA/PVP/DMSO system were completely miscible at all compositions. However, the addition of non-solvent (water) to this ternary system has led to phase separation. Visual turbidity study was used to establish a ternary liquid-liquid phase diagram of the PA-PVP/DMSO/water system. Scanning Electron Microscopy (SEM) showed the development of finger-like and sponge-like cross sectional morphologies during coagulation. Effects of polymer concentration, PA/PVP blend ratio, solvent/non-solvent quality, and evaporation time on the resulting membrane morphology will be discussed.

Binary and ternary LLE data of the system (ethylbenzene + styrene + 1-ethyl-3-methylimidazolium thiocyanate) and binary VLE data of the system (styrene + 1-ethyl-3-methylimidazolium thiocyanate)

International Nuclear Information System (INIS)

Jongmans, Mark T.G.; Schuur, Boelo; Haan, André B. de

2012-01-01

Highlights: ► LLE data have been measured for the system {ethylbenzene + styrene + [EMIM][SCN]}. ► VLE was determined for the system {styrene + [EMIM][SCN]} at vacuum conditions. ► All experimental data were correlated well with the NRTL model. ► [EMIM][SCN] has a much larger selectivity than the benchmark solvent sulfolane. - Abstract: The distillation of close boiling mixtures may be improved by adding a proper affinity solvent, and thereby creating an extractive distillation process. An example of a close boiling mixture that may be separated by extractive distillation is the mixture ethylbenzene/styrene. The ionic liquid 1-ethyl-3-methylimidazolium thiocyanate ([EMIM][SCN]) is a promising solvent to separate ethylbenzene and styrene by extractive distillation. In this study, (vapour + liquid) equilibrium data have been measured for the binary system (styrene + [EMIM][SCN]) over the pressure range of (3 to 20) kPa and binary and ternary (liquid + liquid) equilibrium data of the system (ethylbenzene + styrene + [EMIM][SCN]) at temperatures (313.2, 333.2 and 353.2) K. Due to the low solubility of ethylbenzene in [EMIM][SCN], it was not possible to measure accurately VLE data of the binary system (ethylbenzene + [EMIM][SCN]) and of the ternary system (ethylbenzene + styrene + [EMIM][SCN]) using the ebulliometer. Because previous work showed that the LLE selectivity is a good measure for the selectivity in VLE, we determined the selectivity with LLE. The selectivity of [EMIM][SCN] to styrene in LLE measurements ranges from 2.1 at high styrene raffinate purity to 2.6 at high ethylbenzene raffinate purity. The NRTL model can properly describe the experimental results. The rRMSD in temperature, pressure and mole fraction for the binary VLE data are respectively (0.1, 0.12 and 0.13)%. The rRMSD is only 0.7% in mole fraction for the LLE data.

A Variational approach to thin film hydrodynamics of binary mixtures

KAUST Repository

Xu, Xinpeng

2015-02-04

In order to model the dynamics of thin films of mixtures, solutions, and suspensions, a thermodynamically consistent formulation is needed such that various coexisting dissipative processes with cross couplings can be correctly described in the presence of capillarity, wettability, and mixing effects. In the present work, we apply Onsager\\'s variational principle to the formulation of thin film hydrodynamics for binary fluid mixtures. We first derive the dynamic equations in two spatial dimensions, one along the substrate and the other normal to the substrate. Then, using long-wave asymptotics, we derive the thin film equations in one spatial dimension along the substrate. This enables us to establish the connection between the present variational approach and the gradient dynamics formulation for thin films. It is shown that for the mobility matrix in the gradient dynamics description, Onsager\\'s reciprocal symmetry is automatically preserved by the variational derivation. Furthermore, using local hydrodynamic variables, our variational approach is capable of introducing diffusive dissipation beyond the limit of dilute solute. Supplemented with a Flory-Huggins-type mixing free energy, our variational approach leads to a thin film model that treats solvent and solute in a symmetric manner. Our approach can be further generalized to include more complicated free energy and additional dissipative processes.

Semi-empirical correlation for binary interaction parameters of the Peng-Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor-liquid equilibrium.

Science.gov (United States)

Fateen, Seif-Eddeen K; Khalil, Menna M; Elnabawy, Ahmed O

2013-03-01

Peng-Robinson equation of state is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for systems containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij . In this work, we developed a semi-empirical correlation for kij partly based on the Huron-Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over 60 binary systems and over 10 categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for 10 systems whose predictions were considerably improved with the new correlation.

Prediction of surface tension of binary mixtures with the parachor method

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Němec Tomáš

2015-01-01

Full Text Available The parachor method for the estimation of the surface tension of binary mixtures is modified by considering temperature-dependent values of the parachor parameters. The temperature dependence is calculated by a least-squares fit of pure-solvent surface tension data to the binary parachor equation utilizing the Peng-Robinson equation of state for the calculation of equilibrium densities. A very good agreement between experimental binary surface tension data and the predictions of the modified parachor method are found for the case of the mixtures of carbon dioxide and butane, benzene, and cyclohexane, respectively. The surface tension is also predicted for three refrigerant mixtures, i.e. propane, isobutane, and chlorodifluoromethane, with carbon dioxide.

Dielectric and physiochemical study of binary mixture of nitrobenzene with toluene

Science.gov (United States)

Mohod, Ajay G.; Deshmukh, S. D.; Pattebahadur, K. L.; Undre, P. B.; Patil, S. S.; Khirade, P. W.

2018-05-01

This paper presents the study of binary mixture of Nitrobenzene (NB) with Toluene (TOL) for eleven different concentrations at room temperature. The determined Dielectric Constant (ɛ0) Density (ρ) and Refractive index (nD) values of binary mixture are used to calculate the excess properties i.e. Excess Dielectric Constant (ɛ0E), Excess Molar Volume (VmE), Excess Refractive Index (nDE) and Excess Molar Refraction (RmE) of mixture over the entire composition range and fitted to the Redlich-Kister equation. The Kirkwood Correlation Factor (geff) and other parameters were used to discuss the information about the orientation of dipoles and the solute-solvent interaction of binary mixture at molecular level over the entire range of concentration.

Electrohydrodynamics in nanochannels coated by mixed polymer brushes: effects of electric field strength and solvent quality

Science.gov (United States)

Cao, Qianqian; Tian, Xiu; You, Hao

2018-04-01

We examine the electrohydrodynamics in mixed polymer brush-coated nanochannels and the conformational dynamics of grafted polymers using molecular dynamics simulations. Charged (A) and neutral polymers (B) are alternately grafted on the channel surfaces. The effects of the electric field strength and solvent quality are addressed in detail. The dependence of electroosmotic flow characteristics and polymer conformational behavior on the solvent quality is influenced due to the change of the electric field strength. The enhanced electric field induces a collapse of the neutral polymer chains which adopt a highly extended conformation along the flow direction. However, the thickness of the charged polymer layer is affected weakly by the electric field, and even a slight swelling is identified for the A-B attraction case, implying the conformational coupling between two polymer species. Furthermore, the charged polymer chains incline entirely towards the electric field direction oppositely to the flow direction. More importantly, unlike the neutral polymer chains, the shape factor of the charged polymer chains, which is used to describe the overall shape of polymer chains, is reduced significantly with increasing the electric field strength, corresponding to a more coiled structure.

Measurement and correlation of solubility of ciclesonide in seven pure organic solvents

International Nuclear Information System (INIS)

Zhou, Lina; Yin, Qiuxiang; Guo, Zhiqiang; Lu, Haijiao; Liu, Mingyan; Chen, Wei; Hou, Baohong

2017-01-01

Highlights: • The solubility of ciclesonide in seven pure organic solvents was determined by gravimetric method. • The solubility order was interpreted by virtue of density function theory (DFT). • The experimental solubility of ciclesonide was correlated by four thermodynamic models. • Mixing thermodynamic properties of ciclesonide were calculated and discussed. - Abstract: The solubility of ciclesonide in seven organic solvents (ethanol, 2-propanol, 1-propanol, 1-butanol, acetonitrile, toluene and ethyl acetate) in the temperature range from 278.15 K to 313.15 K was measured by gravimetrical method under atmospheric pressure. The results indicate that the solubility of ciclesonide increases with elevating temperature in all investigated solvents. The solubility order in different solvents was interpreted through comparing interaction force between solute and solvent molecules by virtue of density function theory (DFT). Thermodynamic equations including the modified Apelblat equation, λh equation, Wilson equation and NRTL equation are all suitable to correlate the solubility results. Based on the Wilson equation, the thermodynamic parameters from the mixing process are calculated, and the results indicate the mixing process of ciclesonide in the selected pure solvents is spontaneous and entropy-driven.

Preparation of membranes using solvent-less vapor deposition followed by in-situ polymerization

Science.gov (United States)

O'Brien, Kevin C [San Ramon, CA; Letts, Stephan A [San Ramon, CA; Spadaccini, Christopher M [Oakland, CA; Morse, Jeffrey C [Pleasant Hill, CA; Buckley, Steven R [Modesto, CA; Fischer, Larry E [Los Gatos, CA; Wilson, Keith B [San Ramon, CA

2010-07-13

A system of fabricating a composite membrane from a membrane substrate using solvent-less vapor deposition followed by in-situ polymerization. A first monomer and a second monomer are directed into a mixing chamber in a deposition chamber. The first monomer and the second monomer are mixed in the mixing chamber providing a mixed first monomer and second monomer. The mixed first monomer and second monomer are solvent-less vapor deposited onto the membrane substrate in the deposition chamber. The membrane substrate and the mixed first monomer and second monomer are heated to produce in-situ polymerization and provide the composite membrane.

Critical solvent properties affecting the particle formation process and characteristics of celecoxib-loaded plga microparticles via spray-drying.

Science.gov (United States)

Wan, Feng; Bohr, Adam; Maltesen, Morten Jonas; Bjerregaard, Simon; Foged, Camilla; Rantanen, Jukka; Yang, Mingshi

2013-04-01

It is imperative to understand the particle formation mechanisms when designing advanced nano/microparticulate drug delivery systems. We investigated how the solvent power and volatility influence the texture and surface chemistry of celecoxib-loaded poly (lactic-co-glycolic acid) (PLGA) microparticles prepared by spray-drying. Binary mixtures of acetone and methanol at different molar ratios were applied to dissolve celecoxib and PLGA prior to spray-drying. The resulting microparticles were characterized with respect to morphology, texture, surface chemistry, solid state properties and drug release profile. The evaporation profiles of the feed solutions were investigated using thermogravimetric analysis (TGA). Spherical PLGA microparticles were obtained, irrespectively of the solvent composition. The particle size and surface chemistry were highly dependent on the solvent power of the feed solution. An obvious burst release was observed for the microparticles prepared by the feed solutions with the highest amount of poor solvent for PLGA. TGA analysis revealed distinct drying kinetics for the binary mixtures. The particle formation process is mainly governed by the PLGA precipitation rate, which is solvent-dependent, and the migration rate of celecoxib molecules during drying. The texture and surface chemistry of the spray-dried PLGA microparticles can therefore be tailored by adjusting the solvent composition.

Influence of solvent composition on the miscibility and physical stability of naproxen/PVP K 25 solid dispersions prepared by cosolvent spray-drying.

Science.gov (United States)

Paudel, Amrit; Van den Mooter, Guy

2012-01-01

To investigate the influence of solvent properties on the phase behavior and physical stability of spray-dried solid dispersions containing naproxen and PVP K 25 prepared from binary cosolvent systems containing methanol, acetone and dichloromethane. The viscosity, polymer globular size and evaporation rate of the spray-drying feed solutions were characterized. The solid dispersions were prepared by spray-drying drug-polymer solutions in binary solvent blends containing different proportions of each solvent. The phase behavior was investigated with mDSC, pXRD, FT-IR and TGA. Further, physical stability of solid dispersions was assessed by analyzing after storage at 75% RH. The solid dispersions prepared from solvent/anti-solvent mixture showed better miscibility and physical stability over those prepared from the mixtures of good solvents. Thus, solid dispersions prepared from dichloromethane-acetone exhibited the best physicochemical attributes followed by those prepared from methanol-acetone. FT-IR analysis revealed differential drug-polymer interaction in solid dispersions prepared from various solvent blends, upon the exposure to elevated humidity. Spray-drying from a cocktail of good solvent and anti-solvent with narrower volatility difference produces solid dispersions with better miscibility and physical stability resulting from the simultaneous effect on the polymer conformation and better dispersivity of drug.

Mesoscopic electrohydrodynamic simulations of binary colloidal suspensions

Science.gov (United States)

Rivas, Nicolas; Frijters, Stefan; Pagonabarraga, Ignacio; Harting, Jens

2018-04-01

A model is presented for the solution of electrokinetic phenomena of colloidal suspensions in fluid mixtures. We solve the discrete Boltzmann equation with a Bhatnagar-Gross-Krook collision operator using the lattice Boltzmann method to simulate binary fluid flows. Solvent-solvent and solvent-solute interactions are implemented using a pseudopotential model. The Nernst-Planck equation, describing the kinetics of dissolved ion species, is solved using a finite difference discretization based on the link-flux method. The colloids are resolved on the lattice and coupled to the hydrodynamics and electrokinetics through appropriate boundary conditions. We present the first full integration of these three elements. The model is validated by comparing with known analytic solutions of ionic distributions at fluid interfaces, dielectric droplet deformations, and the electrophoretic mobility of colloidal suspensions. Its possibilities are explored by considering various physical systems, such as breakup of charged and neutral droplets and colloidal dynamics at either planar or spherical fluid interfaces.

A note on the entropy of mixing of liquid sodium-caesium and other binary alkali alloys

International Nuclear Information System (INIS)

Alonso, J.A.; Gallego, L.J.

1985-01-01

The entropy of formation of Na-Cs liquid alloys. ΔS, is nearly ideal. This is surprising considering that the ratio between the pure metal volumes is about 3.0. In this Letter it is shown by means of a density functional calculation that the ratio between the effective volumes in the liquid alloy changes to nearly 1.5. This ratio, used in conjunction with Flory's formula for the entropy of mixing, allows quite accurate reproduction of the ideal behaviour of ΔS. It is also shown that this feature of the ratios of atomic volumes is not exclusive to Na-Cs but is common to all the family of binary liquid alkali alloys. (author)

Characterization of Binary Organogels Based on Some Azobenzene Compounds and Alkyloxybenzoic Acids with Different Chain Lengths

Directory of Open Access Journals (Sweden)

Yongmei Hu

2014-01-01

Full Text Available In this work the gelation behaviors of binary organogels composed of azobenzene amino derivatives and alkyloxybenzoic acids with different lengths of alkyl chains in various organic solvents were investigated and characterized. The corresponding gelation behaviors in 20 solvents were characterized and shown as new binary organic systems. It showed that the lengths of substituent alkyl chains in compounds have played an important role in the gelation formation of gelator mixtures in present tested organic solvents. Longer methylene chains in molecular skeletons in these gelators seem more suitable for the gelation of present solvents. Morphological characterization showed that these gelator molecules have the tendency to self-assemble into various aggregates from lamella, wrinkle, and belt to dot with change of solvents and gelator mixtures. Spectral characterization demonstrated different H-bond formation and hydrophobic force existing in gels, depending on different substituent chains in molecular skeletons. Meanwhile, these organogels can self-assemble to form monomolecular or multilayer nanostructures owing to the different lengths of due to alkyl substituent chains. Possible assembly modes for present xerogels were proposed. The present investigation is perspective to provide new clues for the design of new nanomaterials and functional textile materials with special microstructures.

Safety confirmation study of TRUEX solvent by accelerating rate calorimeter (ARC)

International Nuclear Information System (INIS)

Sato, Yoshihiko; Hirumachi, Suguru; Takeda, Shinso; Kanazawa, Yoshito; Sasaya, Shinji

1999-02-01

In order to confirm the engineering safety on the TRUEX solvent (mixed solvent of CMPO/TBP/n-dodecane) for separating the transuranics from high-level activity liquid waste in advanced nuclear fuel recycling technological R and D, thermal behavior and pressure behavior in heating PUREX solvent (mixed solvent of 30% TBP-n-dodecane), TRUEX solvent and in the exothermic reaction of TRUEX solvent etc. and nitric acid in sealed adiabatic system which was severer condition than actual plant were measured by using accelerating rate calorimeter (ARC). The Arrhenius parameters (activation energy and frequency factor) which are necessary for the evaluation of reaction rate was examined from the measurement data in ARC. Analytical method and analysis condition of reaction products were examined in order to clarify chemical form of reaction products in exothermic reaction between solvent and nitric acid in ARC, and the qualitative evaluation was carried out. Main results are shown in the following. 1) TBP, CMPO, n-dodecane and 10 M nitric acid hardly exothermed in the simple substance. 2) On the solvent phase after the solvent contacted with 10 M nitric acid and the equilibrium has been attained (single-phase sample), the heat quantity per unit sample weight of the TRUEX solvent tended to be bigger than that of the PUREX solvent when heat quantity was evaluated in ARC. However, on the mixed sample of solvent and 10 M nitric acid enclosed in a sample container simultaneously (two phase system sample), the heat quantity per unit solvent weight was almost equivalent for PUREX solvent and TRUEX solvent. 3) The kinetic analysis was carried out, and on the TBP-10 M nitric acid single-phase sample, the activation energy of the reaction was evaluated to be 118 kJ/mol. Its activation energy was approximately equal to 112 kJ/mol by Nichols. The reaction rate constant was calculated, and it was shown that reaction rate constants of PUREX solvent-10 M nitric acid single-phase sample and

Semi-empirical correlation for binary interaction parameters of the Peng–Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor–liquid equilibrium

Directory of Open Access Journals (Sweden)

Seif-Eddeen K. Fateen

2013-03-01

Full Text Available Peng–Robinson equation of state is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for systems containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij. In this work, we developed a semi-empirical correlation for kij partly based on the Huron–Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over 60 binary systems and over 10 categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for 10 systems whose predictions were considerably improved with the new correlation.

Reference value standards and primary standards for pH measurements in D2O and aqueous-organic solvent mixtures: new accessions and assessments

International Nuclear Information System (INIS)

Mussini, P.R.; Mussini, T.; Rondinini, S.

1997-01-01

Recommended Reference Value Standards based on the potassium hydro-genphthalate buffer at various temperatures are reported for pH measurements in various binary solvent mixtures of water with eight organic solvents: methanol, ethanol, 2-propanol, 1,2-ethanediol, 2-methoxyethanol (''methylcellosolve''), acetonitrile, 1,4-dioxane, and dimethyl sulfoxide, together with Reference Value Standard based on the potassium deuterium phthalate buffer for pD measurements in D 2 O. In addition are reported Primary Standards for pH based on numerous buffers in various binary solvent mixtures of water with methanol, ethanol, and dimethyl sulfoxide, together with Primary Standards for pD in D 2 O based on the citrate, phosphate and carbonate buffers. (author)

Method of removing deterioration product in hydrocarbon type solvent

International Nuclear Information System (INIS)

Ito, Yoshifumi; Takashina, Toru; Murasawa, Kenji.

1988-01-01

Purpose: To remarkably reduce radioactive wastes by bringing adsorbents comprising titanium oxide and/or zirconium oxide into contact with hydrocarbon type solvents. Method: In a nuclear fuel re-processing step, an appropriate processing is applied to extraction solvents suffering from radioactive degradation, to separate the hydrocarbon solvents and store them in a solvent tank. Then, titanium oxide and/or zirconium oxide adsorbents are continuously mixed and agitated therewith to adsorb degradation products on the adsorbents. Then, they are introduced with adsorbent separators to recover purified hydrocarbon type solvents. Meanwhile, the separated adsorbents are discharged from pipeways. This enables to regenerate the hydrocarbon type solvents for reuse, as well as remarkably reduce the radioactive wastes. (Takahashi, M.)

Protein-solvent preferential interactions, protein hydration, and the modulation of biochemical reactions by solvent components.

Science.gov (United States)

Timasheff, Serge N

2002-07-23

Solvent additives (cosolvents, osmolytes) modulate biochemical reactions if, during the course of the reaction, there is a change in preferential interactions of solvent components with the reacting system. Preferential interactions can be expressed in terms of preferential binding of the cosolvent or its preferential exclusion (preferential hydration). The driving force is the perturbation by the protein of the chemical potential of the cosolvent. It is shown that the measured change of the amount of water in contact with protein during the course of the reaction modulated by an osmolyte is a change in preferential hydration that is strictly a measure of the cosolvent chemical potential perturbation by the protein in the ternary water-protein-cosolvent system. It is not equal to the change in water of hydration, because water of hydration is a reflection strictly of protein-water forces in a binary system. There is no direct relation between water of preferential hydration and water of hydration.

Pulse-radiolytic one-electron reduction of anthraquinone and chloro-anthraquinones in aqueous-isopropanol-acetone mixed solvent

International Nuclear Information System (INIS)

Rath, M.C.; Pal, H.; Mukherjee, T.

1996-01-01

One-electron reduction of 9,10-anthraquinone and some chloro-anthraquinones and the characteristics of the semiquinones thus formed have been investigated in aqueous-isipropanol-acetone mixed solvent using electron pulse radiolysis technique. Spectroscopic characteristics, kinetic parameters of formation and decay, and the acid/base behaviour of the semiquinones have been investigated. The one-electron reduction potential of the quinones have been measured following electron transfer equilibria with a reference redox system (methyl viologen) and the values thus obtained have been compared with those of some other anthrasemiquinone systems. An analysis of the characteristics of the semiquinones shows that α-chloro substituents adjacent to the C=O group act as electron withdrawing groups. (author)

pKa values of hyodeoxycholic and cholic acids in the binary mixed micelles sodium-hyodeoxycholate-Tween 40 and sodium-cholate-Tween 40: Thermodynamic stability of the micelle and the cooperative hydrogen bond formation with the steroid skeleton.

Science.gov (United States)

Poša, Mihalj; Pilipović, Ana; Bećarević, Mirjana; Farkaš, Zita

2017-01-01

Due to a relatively small size of bile acid salts, their mixed micelles with nonionic surfactants are analysed. Of the special interests are real binary mixed micelles that are thermodynamically more stable than ideal mixed micelles. Thermodynamic stability is expressed with an excess Gibbs energy (G E ) or over an interaction parameter (β ij ). In this paper sodium salts of cholic (C) and hyodeoxycholic acid (HD) in their mixed micelles with Tween 40 (T40) are analysed by potentiometric titration and their pKa values are determined. Examined bile acids in mixed micelles with T40 have higher pKa values than free bile acids. The increase of ΔpKa acid constant of micellary bound C and HD is in a correlation with absolute values of an interaction parameter. According to an interaction parameter and an excess Gibbs energy, mixed micelle HD-T40 are thermodynamically more stable than mixed micelles C-T40. ΔpKa values are higher for mixed micelles with Tween 40 whose second building unit is HD, related to the building unit C. In both micellar systems, ΔpKa increases with the rise of a molar fraction of Tween 40 in binary mixtures of surfactants with sodium salts of bile acids. This suggests that, ΔpKa can be a measure of a thermodynamic stabilization of analysed binary mixed micelles as well as an interaction parameter. ΔpKa values are confirmed by determination of a distribution coefficient of HD and C in systems: water phase with Tween 40 in a micellar concentration and 1-octanol, with a change of a pH value of a water phase. Conformational analyses suggests that synergistic interactions between building units of analysed binary micelles originates from formation of hydrogen bonds between steroid OH groups and polyoxyethylene groups of the T40. Relative similarity and spatial orientation of C 3 and C 6 OH group allows cooperative formation of hydrogen bonds between T40 and HD - excess entropy in formation of mixed micelle. If a water solution of analysed binary

Phase equilibrium study of the binary systems (N-hexyl-3-methylpyridinium tosylate ionic liquid + water, or organic solvent)

International Nuclear Information System (INIS)

Domanska, Urszula; Krolikowski, Marek

2011-01-01

Highlights: → Synthesis, DSC, and measurements of phase equilibrium of N-hexyl-3-methylpyridinium tosylate. → Solvents used: water, alcohols, benzene, alkylbenzenes, and aliphatic hydrocarbons. → Correlation with UNIQUAC, Wilson and NRTL models. → Comparison with different tosylate-based ILs. - Abstract: The (solid + liquid) phase equilibrium (SLE) and (liquid + liquid) phase equilibrium (LLE) for the binary systems ionic liquid (IL) N-hexyl-3-methylpyridinium tosylate (p-toluenesulfonate), {([HM 3 Py][TOS] + water, or an alcohol (1-butanol, or 1-hexanol, or 1-octanol, or 1-decanol), or an aromatic hydrocarbon (benzene, toluene, or ethylbenzene, or propylbenzene), or an alkane (n-hexane, n-heptane, n-octane)} have been determined at ambient pressure using a dynamic method. Simple eutectic systems with complete miscibility in the liquid phase were observed for the systems involving water and alcohols. The phase equilibrium diagrams of IL and aromatic or aliphatic hydrocarbons exhibit eutectic systems with immiscibility in the liquid phase with an upper critical solution temperature as for most of the ILs. The correlation of the experimental data has been carried out using the UNIQUAC, Wilson and the non-random two liquid (NRTL) correlation equations. The results reported here have been compared with analogous phase diagrams reported by our group previously for systems containing the tosylate-based ILs.

Quantifying sediment-associated metal dispersal using Pb isotopes: Application of binary and multivariate mixing models at the catchment-scale

International Nuclear Information System (INIS)

Bird, Graham; Brewer, Paul A.; Macklin, Mark G.; Nikolova, Mariyana; Kotsev, Tsvetan; Mollov, Mihail; Swain, Catherine

2010-01-01

In this study Pb isotope signatures were used to identify the provenance of contaminant metals and establish patterns of downstream sediment dispersal within the River Maritsa catchment, which is impacted by the mining of polymetallic ores. A two-fold modelling approach was undertaken to quantify sediment-associated metal delivery to the Maritsa catchment; employing binary mixing models in tributary systems and a composite fingerprinting and mixing model approach in the wider Maritsa catchment. Composite fingerprints were determined using Pb isotopic and multi-element geochemical data to characterize sediments delivered from tributary catchments. Application of a mixing model allowed a quantification of the percentage contribution of tributary catchments to the sediment load of the River Maritsa. Sediment delivery from tributaries directly affected by mining activity contributes 42-63% to the sediment load of the River Maritsa, with best-fit regression relationships indicating that sediments originating from mining-affected tributaries are being dispersed over 200 km downstream. - Pb isotopic evidence used to quantify sediment-associated metal delivery within a mining-affected river catchment.

Thermodynamic properties of some gallium-based binary alloys

International Nuclear Information System (INIS)

Awe, O.E.; Odusote, Y.A.; Akinlade, O.; Hussain, L.A.

2008-01-01

We have studied the concentration dependence of the free energy of mixing, concentration-concentration fluctuations in the long-wavelength limit, the chemical short-range order parameter, the enthalpy and entropy of mixing of Ga-Zn, Ga-Mg and Al-Ga binary alloys at different temperatures using a quasi-chemical approximation for compound forming binary alloys and that for simple regular alloys. From the study of the thermodynamic quantities, we observed that thermodynamic properties of Ga-Zn and Al-Ga exhibit positive deviations from Raoultian behaviour, while Ga-Mg exhibits negative deviation. Hence, this study reveals that both Ga-Zn and Al-Ga are segregating systems, while chemical order exists in Ga-Mg alloy in the whole concentration range. Furthermore, our investigation indicate that Al-Ga binary alloy have a tendency to exhibit ideal mixture behaviour in the concentration range 0≤c Al ≤0.30 and 0.7≤c Al ≤1

Modeling the Phase Behavior in Mixtures of Pharmaceuticals with Liquid or Supercritical Solvents

DEFF Research Database (Denmark)

Tsivintzelis, Ioannis; Economou, Ioannis; Kontogeorgis, Georgios

2009-01-01

of the studied pharmaceuticals in liquid solvents was calculated. The average root-mean-square deviation between experimental and calculated solubilities is 0.190 and 0.037 in log10 units for prediction (calculations without a binary interaction parameter adjustment) and for correlation (calculations using one...

Binary breath figures for straightforward and controllable self-assembly of microspherical caps.

Science.gov (United States)

Gong, Jianliang; Xu, Bingang; Tao, Xiaoming; Li, Lei

2016-05-11

The intense interest surrounding asymmetrical microparticles originates from their unique anisotropic properties and promising applications. In this work, direct self-assembly of polymeric microspherical caps without the assistance of any additives has been achieved by using low-surface-tension methanol (MeOH) and high-surface-tension water as binary breath figures (BFs). With the evaporation of polystyrene (PS) solution containing low-boiling-point solvent in the binary vapors, the formed MeOH BFs could quickly diffuse into solution, while water BFs tended to remain at the solution surface. This led to the formation of a gradient nonsolvent layer at the vapor/solution interface, which induced the formation of nuclei and guided further asymmetrical growth of polymer particles. After the spontaneous removal of MeOH, water and residual solvent by evaporation, polymeric microspherical caps were left on the substrate. Through controlling the proportion of water introduced by adjusting the ratios of MeOH and water, polymeric microspherical caps with a range of controllable shapes (divided at different positions of a sphere) were successfully obtained. The formation mechanism was explained based on the difference of vapor pressure, surface tension and miscibility between the employed solvents and nonsolvents. A solvent possessing a high vapor pressure, low surface tension and good miscibility with MeOH contributed to the formation of microspherical caps. This flexible, green and straightforward technique is a nondestructive strategy, and avoids complicated work on design, preparation and removal of hard templates and additives.

Solvent extraction of zirconium

International Nuclear Information System (INIS)

Kim, S.S.; Yoon, J.H.

1981-01-01

The extraction of zirconium(VI) from an aqueous solution of constant ionic strength with versatic acid-10 dissolved in benzen was studied as a function of pH and the concentration of zirconium(VI) and organic acid. The effects of sulphate and chlorine ions on the extraction of the zirconium(VI) were briefly examined. It was revealed that (ZrOR 2 .2RH) is the predominant species of extracted zirconium(VI) in the versatic acid-10. The chemical equation and the apparent equilibrium constants thereof have been determined as follows. (ZrOsup(2+))aq+ 2(R 2 H 2 )sub(org) = (ZrOR 2 .2RH)sub(org)+2(H + )aq Ksub(Zr) = (ZrOR 2 .2RH)sub(org)(H + ) 2 /(ZrOsup(2+))sub(aq)(R 2 H 2 )sup(2)sub(org) = 3.3 x 10 -7 . The synergistic effects of TBP and D2EHPA were also studied. In the mixed solvent with 0.1M TBP, the synergistic effect was observed, while the mixed solvent with D2EHPA showed the antisynergistic effect. (Author)

Structure of binary mixed polymer Langmuir layers

NARCIS (Netherlands)

Bernardini, C.

2012-01-01

The possibility of preparing 2D stable emulsions through mixing of homopolymers in a Langmuir monolayer is the core topic of this thesis. While colloid science has achieved well established results in the study of bulk dispersed systems, accounts on properties of mixed monomolecular films are

Equation of state modeling of the phase equilibria of asymmetric CO2+n-alkane binary systems using mixing rules cubic with respect to mole fraction

DEFF Research Database (Denmark)

Cismondi, Martin; Mollerup, Jørgen M.; Zabaloy, Marcelo S.

2010-01-01

for a great diversity of mixtures. Nevertheless, the models for representing phase equilibria and physico-chemical properties of asymmetric systems may require more flexible mixing rules than the classical quadratic van der Waals (vdW) mixing rules or their equivalent (with regard to the number of available...... interaction parameters) in modern equations of state.In particular, the phase equilibria of binary mixtures containing CO2 and heavy n-alkanes have been studied by an important number of authors and using different types of models, achieving only partially accurate results and realizing the difficulties...

Solvent sorption measurements in polymeric membranes with ATR-IR spectroscopy

NARCIS (Netherlands)

Manito Pereira, A.M.; Lopes, M.C.; Timmer, J.M.K.; Keurentjes, J.T.F.

2005-01-01

Long-term stability and performance of polymeric membranes in solvent and mixed solvent media can be reduced due to sorption and swelling of the membrane matrix. For this reason quantification of sorption and swelling is of major importance for the development of future applications of membrane

Solvent Effects in the Hydrogenation of 2-Butanone

Energy Technology Data Exchange (ETDEWEB)

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

2012-03-27

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

Virtual colorimetric sensor array: single ionic liquid for solvent discrimination.

Science.gov (United States)

Galpothdeniya, Waduge Indika S; Regmi, Bishnu P; McCarter, Kevin S; de Rooy, Sergio L; Siraj, Noureen; Warner, Isiah M

2015-04-21

There is a continuing need to develop high-performance sensors for monitoring organic solvents, primarily due to the environmental impact of such compounds. In this regard, colorimetric sensors have been a subject of intense research for such applications. Herein, we report a unique virtual colorimetric sensor array based on a single ionic liquid (IL) for accurate detection and identification of similar organic solvents and mixtures of such solvents. In this study, we employ eight alcohols and seven binary mixtures of ethanol and methanol as analytes to provide a stringent test for assessing the capabilities of this array. The UV-visible spectra of alcoholic solutions of the IL used in this study show two absorption bands. Interestingly, the ratio of absorbance for these two bands is found to be extremely sensitive to alcohol polarity. A virtual sensor array is created by using four different concentrations of IL sensor, which allowed identification of these analytes with 96.4-100% accuracy. Overall, this virtual sensor array is found to be very promising for discrimination of closely related organic solvents.

Modelling (vapour + liquid) and (vapour + liquid + liquid) equilibria of {water (H2O) + methanol (MeOH) + dimethyl ether (DME) + carbon dioxide (CO2)} quaternary system using the Peng-Robinson EoS with Wong-Sandler mixing rule

International Nuclear Information System (INIS)

Ye Kongmeng; Freund, Hannsjoerg; Sundmacher, Kai

2011-01-01

Highlights: → Phase behaviour modelling of H 2 O-MeOH-DME under pressurized CO 2 (anti-solvent) using PRWS. → PRWS-UNIFAC-PSRK has better performance than PRWS-UNIFAC-Lby in general. → Reliable to extend the VLE and VLLE phase behaviour from binary to multicomponent systems. → Successful prediction of the VLE and VLLE of binary, ternary, and quaternary systems. → Potential to apply the model for designing new DME separation process. - Abstract: The (vapour + liquid) equilibria (VLE) and (vapour + liquid + liquid) equilibria (VLLE) binary data from literature were correlated using the Peng-Robinson (PR) equation of state (EoS) with the Wong-Sandler mixing rule (WS). Two group contribution activity models were used in the PRWS: UNIFAC-PSRK and UNIFAC-Lby. The systems were successfully extrapolated from the binary systems to ternary and quaternary systems. Results indicate that the PRWS-UNIFAC-PSRK generally displays a better performance than the PRWS-UNIFAC-Lby.

Nonhazardous solvent composition and method for cleaning metal surfaces

International Nuclear Information System (INIS)

Googin, J.M.; Simandl, R.F.; Thompson, L.M.

1993-01-01

A solvent composition for displacing greasy and oily contaminants as well as water and/or aqueous residue from metallic surfaces, especially surfaces of radioactive materials so that such surfaces can be wiped clean of the displaced contaminants, water and/or aqueous residue. The solvent composition consists essentially of a blend of nonpolar aliphatic hydrocarbon solvent having a minimum flash point of about 140 F and 2 to 25 volume percent of a polar solvent having a flash point sufficiently high so as to provide the solvent composition with a minimum flash point of at least 140 F. The solvent composition is nonhazardous so that when it is used to clean the surfaces of radioactive materials the waste in the form of paper or cloth wipes, lab coats and the like used in the cleaning operation is not considered to be mixed waste composed of a hazardous solvent and a radioactive material

Thermodynamics of H+/Cs+ exchange on amorphous zirconium phosphate in mixed solvents

International Nuclear Information System (INIS)

Misak, N.Z.; Mikhail, E.M.

1983-01-01

In aqueous, 30% isopropanol and acetone, and up to 90% methanol, the H + /Cs + exchange on zirconium phosphate is entropy directed, while in 60% isopropanol and acetone it is enthalpy directed and a selectivity reversal occurs. ΔF 0 decreases in all cases with increasing addition of the organic solvent. ΔH 0 becomes appreciably negative (ΔH 0 = 0 in aqueous medium) and ΔS 0 decreases appreciably on addition of 30% organic solvent, but they increase with further addition. In presence of methanol, ion-solvent interaction effects are counteracted by effects of solid phase interactions but the former effects predominate and lead to decrease of ΔF 0 . On going from 30 to 90 % methanol, positive enthalpy and entropy changes occur due to solid phase interactions involving probably the dehydration of the ingoing Cs + . In presence of up to 60% acetone, ΔF 0 (or selectively constant) changes mainly due to ion-solvent interactions and can be theoretically calculated from the value in the aqueous medium by use of transfer thermodynamics data. This is probably due to a limited imbibition of acetone. (author)

Influence of Solvent-Solvent and Solute-Solvent Interaction Properties on Solvent-Mediated Potential

International Nuclear Information System (INIS)

Zhou Shiqi

2005-01-01

A recently proposed universal calculational recipe for solvent-mediated potential is applied to calculate excess potential of mean force between two large Lennard-Jones (LJ) or hard core attractive Yukawa particles immersed in small LJ solvent bath at supercritical state. Comparison between the present prediction with a hypernetted chain approximation adopted for solute-solute correlation at infinitely dilute limit and existing simulation data shows high accuracy for the region with large separation, and qualitative reliability for the solute particle contact region. The calculational simplicity of the present recipe allows for a detailed investigation on the effect of the solute-solvent and solvent-solvent interaction details on the excess potential of mean force. The resultant conclusion is that gathering of solvent particles near a solute particle leads to repulsive excess PMF, while depletion of solvent particles away from the solute particle leads to attractive excess PMF, and minor change of the solvent-solvent interaction range has large influence on the excess PMF.

A simple model for solvation in mixed solvents. Applications to the stabilization and destabilization of macromolecular structures.

Science.gov (United States)

Schellman, J A

1990-08-31

The properties of a simple model for solvation in mixed solvents are explored in this paper. The model is based on the supposition that solvent replacement is a simple one-for-one substitution reaction at macromolecular sites which are independent of one another. This leads to a new form for the binding polynomial in which all terms are associated with ligand interchange rather than ligand addition. The principal solvent acts as one of the ligands. Thermodynamic analysis then shows that thermodynamic binding (i.e., selective interaction) depends on the properties of K'-1, whereas stoichiometric binding (site occupation) depends on K'. K' is a 'practical' interchange equilibrium constant given by (f3/f1)K, where K is the true equilibrium constant for the interchange of components 3 and 1 on the site and f3 and f4 denote their respective activity coefficients on the mole fraction scale. Values of K' less than unity lead to negative selective interaction. It is selective interaction and not occupation number which determines the thermodynamic effects of solvation. When K' greater than 100 on the mole fraction scale or K' greater than 2 on the molality scale (in water), the differences between stoichiometric binding and selective interaction become less than 1%. The theory of this paper is therefore necessary only for very weak binding constants. When K'-1 is small, large concentrations of the added solvent component are required to produce a thermodynamic effect. Under these circumstances the isotherms for the selective interaction and for the excess (or transfer) free energy are strongly dependent on the behavior of the activity coefficients of both solvent components. Two classes of behavior are described depending on whether the components display positive or negative deviations from Raoult's law. Examples which are discussed are aqueous solutions of urea and guanidinium chloride for positive deviations and of sucrose and glucose for negative deviations

Thermodynamic modeling of saturated liquid compositions and densities for asymmetric binary systems composed of carbon dioxide, alkanes and alkanols

International Nuclear Information System (INIS)

Bayestehparvin, Bita; Nourozieh, Hossein; Kariznovi, Mohammad; Abedi, Jalal

2015-01-01

Highlights: • Phase behavior of the binary systems containing largely different components. • Equation of state modeling of binary polar and non-polar systems by utilizing different mixing rules. • Three different mixing rules (one-parameter, two-parameters and Wong–Sandler) coupled with Peng–Robinson equation of state. • Two-parameter mixing rule shows promoting results compared to one-parameter mixing rule. • Wong–Sandler mixing rule is unable to predict saturated liquid densities with sufficient accuracy. - Abstract: The present study mainly focuses on the phase behavior modeling of asymmetric binary mixtures. Capability of different mixing rules and volume shift in the prediction of solubility and saturated liquid density has been investigated. Different binary systems of (alkane + alkanol), (alkane + alkane), (carbon dioxide + alkanol), and (carbon dioxide + alkane) are considered. The composition and the density of saturated liquid phase at equilibrium condition are the properties of interest. Considering composition and saturated liquid density of different binary systems, three main objectives are investigated. First, three different mixing rules (one-parameter, two parameters and Wong–Sandler) coupled with Peng–Robinson equation of state were used to predict the equilibrium properties. The Wong–Sandler mixing rule was utilized with the non-random two-liquid (NRTL) model. Binary interaction coefficients and NRTL model parameters were optimized using the Levenberg–Marquardt algorithm. Second, to improve the density prediction, the volume translation technique was applied. Finally, Two different approaches were considered to tune the equation of state; regression of experimental equilibrium compositions and densities separately and spontaneously. The modeling results show that there is no superior mixing rule which can predict the equilibrium properties for different systems. Two-parameter and Wong–Sandler mixing rule show promoting

Excess molar volume and viscosity deviation for binary mixtures of γ-butyrolactone with dimethyl sulfoxide

International Nuclear Information System (INIS)

Krakowiak, Joanna; Śmiechowski, Maciej

2017-01-01

Highlights: • Densities and viscosities of DMSO-GBL binary liquid mixtures were measured. • The volumetric parameters and excess quantities were obtained. • Ab initio calculations were performed for single molecules and dimers in the studied mixture. • The interactions in solutions are weaker than in pure solvents. - Abstract: The densities of binary liquid mixtures of dimethyl sulfoxide and γ-butyrolactone at (293.15, 298.15, 303.15 and 313.15) K and viscosity at T = 298.15 K have been measured at atmospheric pressure over the entire range of concentration. From these data the excess molar volumes V E at (293.15, 298.15, 303.15 and 313.15) K and the viscosity deviation, the excess entropy, and the excess Gibbs energy of activation for viscous flow at T = 298.15 K have been determined. These data were mathematically represented by the Redlich-Kister polynomial. Partial and apparent molar volumes have been calculated for better understanding of the interactions in the binary systems. The obtained data indicate the lack of specific interactions between unlike molecules, which seem to be a little weaker as compared to the interactions in pure solvents.

High-yield exfoliation of graphene using ternary-solvent strategy for detecting volatile organic compounds

Science.gov (United States)

Zhang, Shao-Lin; Zhang, Zhijun; Yang, Woo-Chul

2016-01-01

Despite the great progress in the theory and experimental verification we made in past decade, the practical application of graphene is still hindered by the lack of efficient, economical, scalable, ease-processing exfoliation method. Herein, we propose a facile, low-cost, and efficient liquid-phase exfoliation process using low boiling-temperature solvent mixture to fabricate few-layer graphene in large scale. The Hansen solubility parameter theory was applied to help optimize the composition of solvent mixture. Aqueous-based ternary-solvent mixture, for the first time, was adapted to exfoliate graphene. We demonstrate that the exfoliation efficiency using ternary-solvent mixture surpasses that from binary-solvent approach. The final product concentration after optimization was over 260 μg/ml. The concentrated graphene dispersion was used to fabricate gas sensor for detecting volatile organic gases. Taking advantage of large surface area, large number of adsorption sites, and well-preserved basal plane, the mass-produced graphene nanosheets exhibited promising sensing potential toward ethanol and methanol vapors.

Switchover of reactions of solvated electrons with nitrate ions and ammonium ions in propanol-water solvents

International Nuclear Information System (INIS)

Kang, T.B.; Freeman, G.R.

1993-01-01

The reaction rate constants of e s - with ammonium nitrate (∼0.1 mol m -3 ) in 1-propanol-water and 2-propanol-water binary solvents correspond to [e s - + (NO 3 - ) s ] reaction in the water-rich solvents, and to [e s - + (NH 4 + ) s ] reaction in alcohol-rich solvents. The overall rate constant is smaller in solvents with 40-99 mol% water, with a minimum at 70 mol% water. The Arrhenius temperature coefficient is 26 kJ mol -1 in each pure propanol solvent, increases to 29 kJ mol -1 at 40 mol% water, then decreases to 17 kJ mol -1 in pure water solvent. The high reaction rates in the single component solvents, alcohol or water, are limited mainly by solvent processes related to shear viscosity (diffusion) and dielectric relaxation (dipole reorientation). Rate constants reported for concentrated solutions (50-1000 mol m -3 ) of ammonium and nitrate salts in methanol have been quantitatively reinterpreted in terms of the ion atmosphere model. 28 refs., 5 figs., 2 tabs

STUDIES ON SOLVENT EXTRACTION OF FREE HYDROGEN ...

African Journals Online (AJOL)

synthesized through glucose degradation (glycolysis) to lactic acid. ... g sample into a well stoppered plastic bottle and mixed with 20 mL of distilled .... Recovery of used solvent is necessary because methylchloroform is toxic to the bacteria.

Efficacy of bi-component cocrystals and simple binary eutectics screening using heat of mixing estimated under super cooled conditions.

Science.gov (United States)

Cysewski, Piotr

2016-07-01

The values of excess heat characterizing sets of 493 simple binary eutectic mixtures and 965 cocrystals were estimated under super cooled liquid condition. The application of a confusion matrix as a predictive analytical tool was applied for distinguishing between the two subsets. Among seven considered levels of computations the BP-TZVPD-FINE approach was found to be the most precise in terms of the lowest percentage of misclassified positive cases. Also much less computationally demanding AM1 and PM7 semiempirical quantum chemistry methods are likewise worth considering for estimation of the heat of mixing values. Despite intrinsic limitations of the approach of modeling miscibility in the solid state, based on components affinities in liquids under super cooled conditions, it is possible to define adequate criterions for classification of coformers pairs as simple binary eutectics or cocrystals. The predicted precision has been found as 12.8% what is quite accepted, bearing in mind simplicity of the approach. However, tuning theoretical screening to such precision implies the exclusion of many positive cases and this wastage exceeds 31% of cocrystals classified as false negatives. Copyright © 2016 Elsevier Inc. All rights reserved.

Collapse in two good solvents, swelling in two poor solvents: defying the laws of polymer solubility?

Science.gov (United States)

Mukherji, Debashish; Marques, Carlos M; Kremer, Kurt

2018-01-17

In this work we discuss two mirror but distinct phenomena of polymer paradoxical properties in mixed solvents: co-non-solvency and co-solvency. When a polymer collapses in a mixture of two miscible good solvents the phenomenon is known as co-non-solvency, while co-solvency is a phenomenon that is associated with the swelling of a polymer in poor solvent mixtures. A typical example of co-non-solvency is provided by poly(N-isopropylacrylamide) in aqueous alcohol, while poly(methyl methacrylate) in aqueous alcohol shows co-solvency. We discuss these two phenomena to compare their microscopic origins and show that both can be understood within generic universal concepts. A broad range of polymers is therefore expected to exhibit these phenomena where specific chemical details play a lesser role than the appropriate combination of interactions between the trio of molecular components.

Fluoro-Carbonate Solvents for Li-Ion Cells

International Nuclear Information System (INIS)

NAGASUBRAMANIAN, GANESAN

1999-01-01

A number of fluoro-carbonate solvents were evaluated as electrolytes for Li-ion cells. These solvents are fluorine analogs of the conventional electrolyte solvents such as dimethyl carbonate, ethylene carbonate, diethyl carbonate in Li-ion cells. Conductivity of single and mixed fluoro carbonate electrolytes containing 1 M LiPF(sub 6) was measured at different temperatures. These electrolytes did not freeze at -40 C. We are evaluating currently, the irreversible 1st cycle capacity loss in carbon anode in these electrolytes and the capacity loss will be compared to that in the conventional electrolytes. Voltage stability windows of the electrolytes were measured at room temperature and compared with that of the conventional electrolytes. The fluoro-carbon electrolytes appear to be more stable than the conventional electrolytes near Li voltage. Few preliminary electrochemical data of the fluoro-carbonate solvents in full cells are reported in the literature. For example, some of the fluorocarbonate solvents appear to have a wider voltage window than the conventional electrolyte solvents. For example, methyl 2,2,2 trifluoro ethyl carbonate containing 1 M LiPF(sub 6) electrolyte has a decomposition voltage exceeding 6 V vs. Li compared to and lt;5 V for conventional electrolytes. The solvent also appears to be stable in contact with lithium at room temperature

TRU decontamination of high-level Purex waste by solvent extraction using a mixed octyl(phenyl)-N,N-diisobutyl-carbamoylmethylphosphine oxide/TBP/NPH (TRUEX) solvent

International Nuclear Information System (INIS)

Horwitz, E.P.; Kalina, D.G.; Diamond, H.; Kaplan, L.; Vandegrift, G.F.; Leonard, R.A.; Steindler, M.J.; Schulz, W.W.

1984-01-01

The TRUEX (transuranium extraction) process was tested on a simulated high-level dissolved sludge waste (DSW). A batch counter-current extraction mode was used for seven extraction and three scrub stages. One additional extraction stage and two scrub stages and all strip stages were performed by batch extraction. The TRUEX solvent consisted of 0.20 M octyl(phenyl)-N,N-diisobutylcarbamoyl-methylphosphine oxide-1.4 M TBP in Conoco (C 12 -C 14 ). The feed solution was 1.0 M in HNO 3 , 0.3 M in H 2 C 2 O 4 and contained mixed (stable) fission products, U, Np, Pu, and Am, and a number of inert constituents, e.g., Fe and Al. The test showed that the process is capable of reducing the TRU concentration in the DSW by a factor of 4 x 10 4 (to <100 nCi/g of disposed form) and reducing the quantity of TRU waste by two orders of magnitude

Biodiesel production from ethanolysis of palm oil using deep eutectic solvent (DES) as co-solvent

Science.gov (United States)

Manurung, R.; Winarta, A.; Taslim; Indra, L.

2017-06-01

Biodiesel produced from ethanolysis is more renewable and have better properties (higher oxidation stability, lower cloud and pour point) compared to methanolysis, but it has a disadvantage such as complicated purification. To improve ethanolysis process, deep eutectic solvent (DES) can be prepared from choline chloride and glycerol and used as co-solvent in ethanolysis. The deep eutectic solvent is formed from a quaternary ammonium salt (choline chloride) and a hydrogen bond donor (Glycerol), it is a non-toxic, biodegradable solvent compared to a conventional volatile organic solvent such as hexane. The deep eutectic solvent is prepared by mixing choline chloride and glycerol with molar ratio 1:2 at temperature 80 °C, stirring speed 300 rpm for 1 hour. The DES is characterized by its density and viscosity. The ethanolysis is performed at a reaction temperature of 70 °C, ethanol to oil molar ratio of 9:1, potassium hydroxide as catalyst concentration of 1.2 wt. DES as co-solvent with concentration 0.5 to 3 wt. stirring speed 400 rpm, and a reaction time 1 hour. The obtained biodiesel is then characterized by its density, viscosity, and ester content. The oil - ethanol phase condition is observed in the reaction tube. The oil - ethanol phase with DES tends to form meniscus compared to without DES, showed that oil and ethanol become more slightly miscible, which favors the reaction. Using DES as co-solvent in ethanolysis showed increasing in yield and easier purification. The esters properties meet the international standards ASTM D6751, with the highest yield achieved 83,67 with 99,77 conversion at DES concentration 2 . Increasing DES concentration above 2 in ethanolysis decrease the conversion and yield, because of the excessive glycerol in the systems makes the reaction equilibrium moves to the reactant side.

Solvent engineering for high-quality perovskite solar cell with an efficiency approaching 20%

Science.gov (United States)

Wu, Tongyue; Wu, Jihuai; Tu, Yongguang; He, Xin; Lan, Zhang; Huang, Miaoliang; Lin, Jianming

2017-10-01

The perovskite layer is the most crucial factor for the high performance perovskite solar cells. Based on solvent engineering, we develop a ternary-mixed-solvent method for the growth of high-quality [Cs0.05(MA0.17FA0.83)0.95Pb(I0.83Br0.17)3] cation-anion-mixed perovskite films by introducing N-methyl-2-pyrrolidone (NMP) into the precursor mixed solution. By controlling rapid nucleation and retarding crystal growth via intermediate phase PbI2-NMP (Lewis acid-base adduct), a dense, large grain, pinhole-free and long charge carrier lifetime perovskite film is obtained. By optimizing the precursor solvent composition, the perovskite solar cell achieves an impressive power conversion efficiency of 19.61% under one-sun illumination. The research presented here provides a facile, low-cost and highly efficient way for the preparation of perovskite solar cells.

Solvent refining of low-temperature tar with liquid ammonia

Energy Technology Data Exchange (ETDEWEB)

Ishida, K

1953-01-01

The middle fractions of low-temperature tar were treated with mixed solutions of H/sub 2/O and liquid NH/sub 3/ at 0/sup 0/ and 20/sup 0/, and with liquid NH/sub 3/ at -10, 0, + 10, and 20/sup 0/, and phase equilibrium between tar acids, neutral oil, and solvents were studied. The distribution ratio ranged from less than 1 to greater than 1 when the solvent contained about 20 percent (by weight) H/sub 2/O. When the solvent contained less than 85 percent (by weight) NH/sub 3/, the yield of extract was small but the purity of phenols in the extracted oil was above 90 percent. Solvent containing about 85 percent NH/sub 3/ (by weight) is considered optimum for separating tar acids from oils. A novel definition is proposed for solvent selectivity as the difference between the concentration of the solute in the extract layer, on a solvent-free basis, and the concentration in the raffinate layer.

Breaking from binaries - using a sequential mixed methods design.

Science.gov (United States)

Larkin, Patricia Mary; Begley, Cecily Marion; Devane, Declan

2014-03-01

To outline the traditional worldviews of healthcare research and discuss the benefits and challenges of using mixed methods approaches in contributing to the development of nursing and midwifery knowledge. There has been much debate about the contribution of mixed methods research to nursing and midwifery knowledge in recent years. A sequential exploratory design is used as an exemplar of a mixed methods approach. The study discussed used a combination of focus-group interviews and a quantitative instrument to obtain a fuller understanding of women's experiences of childbirth. In the mixed methods study example, qualitative data were analysed using thematic analysis and quantitative data using regression analysis. Polarised debates about the veracity, philosophical integrity and motivation for conducting mixed methods research have largely abated. A mixed methods approach can contribute to a deeper, more contextual understanding of a variety of subjects and experiences; as a result, it furthers knowledge that can be used in clinical practice. The purpose of the research study should be the main instigator when choosing from an array of mixed methods research designs. Mixed methods research offers a variety of models that can augment investigative capabilities and provide richer data than can a discrete method alone. This paper offers an example of an exploratory, sequential approach to investigating women's childbirth experiences. A clear framework for the conduct and integration of the different phases of the mixed methods research process is provided. This approach can be used by practitioners and policy makers to improve practice.

300 area solvent evaporator interim status closure plan: Revision 2

International Nuclear Information System (INIS)

1989-02-01

This document describes activities for the closure of a hazardous waste tank treatment facility operated by the US Department of Energy-Richland Operations Office (DOE-RL) and co-operated by the Westinghouse Hanford Company (WHC). This treatment facility was a solvent evaporator located in the 300 Area of the Hanford Site, from 1975 to 1985 on behalf of DOE-RL. The 300 Area Solvent Evaporator (300 ASE) was a modified load lugger (dumpster) in which solvent wastes were evaporated. Some of the solvents were radioactively contaminated because they came from a degreaser which processed bare uranium metal billets from the N Reactor Fuel Manufacturing Facility. The waste was composed of perchloroethylene, trichloroethylene, 1,1,1-trichloroethane, ethyl acetate/bromine solution, paint shop solvents and possibly some used oil. Also, small amounts of uranium, copper, zirconium and possibly beryllium were present in the degreaser solvents as particulates. Radioactive and non-radioactive solvents were not segregated in the 300 ASE, and the entire mixture was regarded as mixed waste

Solubility of Stevioside and Rebaudioside A in water, ethanol and their binary mixtures

Directory of Open Access Journals (Sweden)

Liliana S. Celaya

2016-10-01

Full Text Available In order to investigate the solubility of Stevioside and Rebaudioside A in different solvents (ethanol, water, ethanol:water 30:70 and ethanol:water 70:30, supersaturated solutions of pre-crystalized steviol glycosides were maintained at different temperatures (from 5 °C to 50 °C to reach equilibrium. Under these conditions significant differences were found in the extent of solubility. Rebaudioside A was poorly soluble in ethanol and water, and Stevioside was poorly soluble in water. Solvent mixtures more effectively promoted solubilisation, and a significant effect of temperature on solubility was observed. The two steviol glycosides showed higher solubilities and this behavior was promoted by the presence of the other sweetener. The polarity indices of the solvents were determined, and helped to explain the observed behavior. Several solute-solvent and solute-solute interactions can occur, along with the incidence of a strong affinity between solvents. The obtained results are in accordance with technological applications of ethanol, water and their binary mixtures for Stevioside and Rebaudioside A separations.

Double Solvent for Extracting Rare Earth Concentrate

International Nuclear Information System (INIS)

Bintarti, AN; Bambang EHB

2007-01-01

An extraction process to rare earth concentrate which contain elements were yttrium (Y), lanthanum (La), cerium (Ce), neodymium (Nd), samarium (Sm), gadolinium (Gd) and dysprosium (Dy) which were dissolved in to nitric acid has been done. The experiment of the extraction by double solvent in batch to mix 10 ml of the feed with 10 ml solvent contained the pair of solvent was TBP and TOA, D2EHPA and TOA, TBP and D2EHPA in cyclohexane as tinner. It was selected a right pairs of solvent for doing variation such as the acidity of the feed from 2 - 6 M and the time of stirring from 5 - 25 minutes gave the good relatively extraction condition to Dy element such as using 10 % volume of TOA in D2EHPA and cyclohexane, the acidity of the feed 3 M and the time stirring 15 minutes produced coefficient distribution to dysprosium = 0.586 and separation factor Dy-Ce = ∼ (unlimited); Dy-Nd = 4.651. (author)

Solvent Extraction of Rare Earths by Di-2 Ethylhexyl Phosphoric Acid

International Nuclear Information System (INIS)

Srinuttrakul, Wannee; Kranlert, Kannika; Kraikaew, Jarunee; Pongpansook, Surasak; Chayavadhanangkur, Chavalek; Kranlert, Kannika

2004-10-01

Solvent extraction has been widely applied for individual rare earth separation because the separation time is rapid and a large quantity of products is obtained. In this work, this technique was utilized to extract mixed rare earths, obtained from monazite digestion process. Di-2-ethylhexyl phosphoric acid (D2EHPA) was used as an extractant. The factors affected the extraction including HNO 3 concentration in mixed rare earth nitrate solution and the amount of D2EHPA were studied. The appropriate concentrations of HNO 3 and D2EHPA were found to be 0.01 and 1.5 M, respectively. From the result of equilibrium curve study, it was observed that heavy rare earths were extracted more efficient than light rare earths. A 6-stage continuous countercurrent solvent extraction was simulated for rare earth extraction. The optimum ratio of solvent to feed solution (S/F) was 2. Because of the high cost of D2EHPA, 1.0 M of D2EHPA was suitable for the rare earth extraction by the continuous countercurrent solvent extraction

Robust Bayes Forecasting For Grouped Binary Data With Known Distortion Interval

OpenAIRE

Pashkevich, M.

2004-01-01

The paper is devoted the problem of robust forecasting for the beta-mixed hierarchical models of grouped binary data in the case of stochastic additive distortions of binary observations. In the case of known lower and upper bounds of the distortion intervals, a new robust minimax Bayes predictor is developed. The performance of the proposed forecasting technique is validated by computer simulationtadata.

EFFECTS OF ROTATIONALLY INDUCED MIXING IN COMPACT BINARY SYSTEMS WITH LOW-MASS SECONDARIES AND IN SINGLE SOLAR-TYPE STARS

International Nuclear Information System (INIS)

Chatzopoulos, E.; Robinson, Edward L.; Wheeler, J. Craig

2012-01-01

Many population synthesis and stellar evolution studies have addressed the evolution of close binary systems in which the primary is a compact remnant and the secondary is filling its Roche lobe, thus triggering mass transfer. Although tidal locking is expected in such systems, most studies have neglected the rotationally induced mixing that may occur. Here we study the possible effects of mixing in mass-losing stars for a range of secondary star masses and metallicities. We find that tidal locking can induce rotational mixing prior to contact and thus affect the evolution of the secondary star if the effects of the Spruit-Tayler dynamo are included both for angular momentum and chemical transport. Once contact is made, the effect of mass transfer tends to be more rapid than the evolutionary timescale, so the effects of mixing are no longer directly important, but the mass-transfer strips matter to inner layers that may have been affected by the mixing. These effects are enhanced for secondaries of 1-1.2 M ☉ and for lower metallicities. We discuss the possible implications for the paucity of carbon in the secondaries of the cataclysmic variable SS Cyg and the black hole candidate XTE J1118+480 and for the progenitor evolution of Type Ia supernovae. We also address the issue of the origin of blue straggler stars in globular and open clusters. We find that for models that include rotation consistent with that observed for some blue straggler stars, evolution is chemically homogeneous. This leads to tracks in the H-R diagram that are brighter and bluer than the non-rotating main-sequence turn-off point. Rotational mixing could thus be one of the factors that contribute to the formation of blue stragglers.

Determination of solvents permeating through chemical protective clothing with a microsensor array.

Science.gov (United States)

Park, J; Zellers, E T

2000-08-01

The performance of a novel prototype instrument in determining solvents and solvent mixtures permeating through samples of chemical protective clothing (CPC) materials was evaluated. The instrument contains a mini-preconcentrator and an array of three polymer-coated surface-acoustic-wave (SAW) microsensors whose collective response patterns are used to discriminate among multiple permeants. Permeation tests were performed with a 2.54 cm diameter test cell in an open-loop configuration on samples of common glove materials challenged with four individual solvents, three binary mixtures, and two ternary mixtures. Breakthrough times, defined as the times required for the permeation rate to reach a value of 1 microg cm(-2) min(-1), determined by the instrument were within 3 min of those determined in parallel by manual sampling and gas chromatographic analysis. Permeating solvents were recognized (identified) from their response patterns in 59 out of 64 measurements (92%) and their vapor concentrations were quantified to an accuracy of +/- 31% (typically +/- 10%). These results demonstrate the potential for such instrumentation to provide semi-automated field or bench-top screening of CPC permeation resistance.

Isothermal vapour–liquid equilibrium of binary systems containing polyoxyethylene dodecanoate and alcohols

International Nuclear Information System (INIS)

Khoiroh, Ianatul; Lee, Ming-Jer

2013-01-01

Highlights: ► An autoclave apparatus was used to measure binary vapor-liquid equilibrium data. ► The studied systems are polyoxyethylene dodecanoate with 2-butanol, tert-butanol, and 1-pentanol. ► The saturated pressure data were fitted accurately to the Antoine equation. ► The UNIQUAC, the NRTL, and the Flory–Huggins models correlated well the phase equilibrium data. ► The solvent activities have been calculated. - Abstract: Isothermal vapour–liquid equilibrium (VLE) data have been measured with a static method for three binary systems of polyoxyethylene dodecanoate {(POEDDA) + butan-2-ol} at T = (333.4 to 424.5) K, (POEDDA + tert-butanol) at (321.1 to 401.5) K, and (POEDDA + pentan-1-ol) at (340.2 to 419.4) K. Four feed compositions were studied over the concentration range of 0.099 to 0.432 of POEDDA mole fractions. The experimental results were fitted to the Antoine equation to regress the Antoine constants. These VLE data were further treated by using the Barker method to obtain the best fit of binary interaction parameters from the UNIQUAC, the NRTL, and the Flory–Huggins models. The results showed good agreement between the experimental and calculated values. The Flory–Huggins model yielded the best result with an overall average absolute relative deviation (AARD) of 2.1%. The solvent activities were also calculated and showed agree well with the calculated values from those three activity coefficient models.

Estimation of the minimum Prandtl number for binary gas mixtures formed with light helium and certain heavier gases: Application to thermoacoustic refrigerators

International Nuclear Information System (INIS)

Campo, Antonio; Papari, Mohammad M.; Abu-Nada, Eiyad

2011-01-01

This paper addresses a detailed procedure for the accurate estimation of low Prandtl numbers of selected binary gas mixtures. In this context, helium (He) is the light primary gas and the heavier secondary gases are nitrogen (N 2 ), oxygen (O 2 ), xenon (Xe), carbon dioxide (CO 2 ), methane (CH 4 ), tetrafluoromethane or carbon tetrafluoride (CF 4 ) and sulfur hexafluoride (SF 6 ). The three thermophysical properties forming the Prandtl number of binary gas mixtures Pr mix are heat capacity at constant pressure C p,mix (thermodynamic property), viscosity η mix (transport property) and thermal conductivity λ mix (transport property), which in general depend on temperature T and molar gas composition w. The precise formulas for the calculation of the trio C p,mix , η mix , and λ mix are gathered from various dependable sources. When the set of computed Pr mix values for the seven binary gas mixtures He + N 2 , He + O 2 , He + Xe, He + CO 2 , He + CH 4 , He + CF 4 , He + SF 6 at atmospheric conditions T = 300 K, p = 1 atm is plotted against the molar gas composition w on the w-domain [0,1], the family of Pr mix (w) curves exhibited distinctive concave shapes. In the curves format, all Pr mix (w) curves initiate with Pr ∼ 0.7 at w = 0 (associated with light primary He). Forthwith, each Pr mix (w) curve descends to a unique minimum and thereafter ascend back to Pr ∼ 0.7 at the terminal point w = 1 (connected to heavier secondary gases). Overall, it was found that among the seven binary gas mixtures tested, the He + Xe gas mixture delivered the absolute minimum Prandtl number Pr mix,min = 0.12 at the optimal molar gas composition w opt = 0.975. - Highlights: →Accurate estimation of low Prandtl numbers for some helium-based binary gas mixtures. →The thermophysical properties of the gases are calculated with precise formulas. →The absolute minimum Prandtl number is delivered by the He + Xe binary gas mixture. →Application to experimental thermoacoustic

Kinetics of hydrogen peroxide decomposition by catalase: hydroxylic solvent effects.

Science.gov (United States)

Raducan, Adina; Cantemir, Anca Ruxandra; Puiu, Mihaela; Oancea, Dumitru

2012-11-01

The effect of water-alcohol (methanol, ethanol, propan-1-ol, propan-2-ol, ethane-1,2-diol and propane-1,2,3-triol) binary mixtures on the kinetics of hydrogen peroxide decomposition in the presence of bovine liver catalase is investigated. In all solvents, the activity of catalase is smaller than in water. The results are discussed on the basis of a simple kinetic model. The kinetic constants for product formation through enzyme-substrate complex decomposition and for inactivation of catalase are estimated. The organic solvents are characterized by several physical properties: dielectric constant (D), hydrophobicity (log P), concentration of hydroxyl groups ([OH]), polarizability (α), Kamlet-Taft parameter (β) and Kosower parameter (Z). The relationships between the initial rate, kinetic constants and medium properties are analyzed by linear and multiple linear regression.

Apparatus and methods for regeneration of precipitating solvent

Science.gov (United States)

Liu, Guohai; Vimalchand, Pannalal; Peng, Wan Wang; Bonsu, Alexander

2015-08-25

A regenerator that can handle rich loaded chemical solvent containing precipitated absorption reaction products is disclosed. The invention is particularly suitable for separating CO.sub.2 from large gas streams that are typical of power plant processes. The internally circulating liquid stream in the regenerator (ICLS regenerator) rapidly heats-up the in-coming rich solvent stream in a downcomer standpipe as well as decreases the overall concentration of CO.sub.2 in the mixed stream. Both these actions lead to dissolution of precipitates. Any remaining precipitate further dissolves as heat is transferred to the mixed solution with an inverted bayonet tube heat exchanger in the riser portion of the regenerator. The evolving CO.sub.2 bubbles in the riser portion of the regenerator lead to substantial gas hold-up and the large density difference between the solutions in the downcomer standpipe and riser portions promotes internal circulation of the liquid stream in the regenerator. As minor amounts of solvent components present in the exit gas stream are condensed and returned back to the regenerator, pure CO.sub.2 gas stream exits the disclosed regenerator and condenser system.

Thermodynamic models for determination of the solubility of omeprazole in pure and mixture organic solvents from T = (278.15 to 333.15) K

International Nuclear Information System (INIS)

Hu, Yonghong; Wu, Gang; Gu, Pengfei; Yang, Wenge; Wang, Chunxiao; Ding, Zhiwen; Cao, Yang

2016-01-01

Highlights: • The solubility increased with increasing temperature. • The data were fitted using the modified Apelblat equation and other models. • The Gibbs energy, enthalpy and entropy were calculated by the van’t Hoff analysis. - Abstract: Data on corresponding (solid + liquid) equilibrium of omeprazole in different solvents are essential for a preliminary study of industrial applications. In this paper, the (solid + liquid) equilibrium of omeprazole in water, methanol, ethanol, 1-butanol, acetonitrile, acetone, ethyl acetate, tetrahydrofuran pure solvents and (tetrahydrofuran + ethyl acetate) mixture solvents were explored within the temperatures from 278.15 K to 333.15 K under atmosphere pressure. For the temperature range investigated, the solubility of omeprazole in the solvents increased with increasing temperature. From (278.15 to 333.15) K, the solubility of omeprazole in tetrahydrofuran is superior to other selected pure solvents. The modified Apelblat model, the Buchowski–Ksiazaczak λh model, and the ideal model were adopted to describe and predict the change tendency of solubility. Computational results showed that the modified Apelblat model has advantages than the other two models. Numerical values of the solubility were fitted using a modified Apelblat equation, a variant of the combined nearly ideal binary solvent/Redich–Kister (CNIBS/R–K) model and Jouyban–Acree model in (tetrahydrofuran + ethyl acetate) binary solvent mixture. Computational results showed that the CNIBS/R–K model is superior to the other equations. In addition, the calculated thermodynamic parameters indicate that in each solvent studied the dissolution of omeprazole is endothermic, non-spontaneous and is an entropy-driven process.

Binary Polymer Brushes of Strongly Immiscible Polymers.

Science.gov (United States)

Chu, Elza; Babar, Tashnia; Bruist, Michael F; Sidorenko, Alexander

2015-06-17

The phenomenon of microphase separation is an example of self-assembly in soft matter and has been observed in block copolymers (BCPs) and similar materials (i.e., supramolecular assemblies (SMAs) and homo/block copolymer blends (HBCs)). In this study, we use microphase separation to construct responsive polymer brushes that collapse to generate periodic surfaces. This is achieved by a chemical reaction between the minor block (10%, poly(4-vinylpyridine)) of the block copolymer and a substrate. The major block of polystyrene (PS) forms mosaic-like arrays of grafted patches that are 10-20 nm in size. Depending on the nature of the assembly (SMA, HBC, or neat BCP) and annealing method (exposure to vapors of different solvents or heating above the glass transition temperature), a range of "mosaic" brushes with different parameters can be obtained. Successive grafting of a secondary polymer (polyacrylamide, PAAm) results in the fabrication of binary polymer brushes (BPBs). Upon being exposed to specific selective solvents, BPBs may adopt different conformations. The surface tension and adhesion of the binary brush are governed by the polymer occupying the top stratum. The "mosaic" brush approach allows for a combination of strongly immiscible polymers in one brush. This facilitates substantial contrast in the surface properties upon switching, previously only possible for substrates composed of predetermined nanostructures. We also demonstrate a possible application of such PS/PAAm brushes in a tunable bioadhesion-bioadhesive (PS on top) or nonbioadhesive (PAAm on top) surface as revealed by Escherichia coli bacterial seeding.

Prediction of electrolyte vapor-liquid equilibrium by UNIFAC-Dortmund

Directory of Open Access Journals (Sweden)

M. Aznar

2001-06-01

Full Text Available The modified UNIFAC-Dortmund group contribution model is used for the correlation and prediction of salt effects in binary solvent-salt and ternary mixed solvent-salt systems. The long-range electrostatic interaction contribution, usually represented by a Debye-Hückel term, was empirically dropped. Previously published parameters for interactions between solvent groups (CH2, OH, CH3OH, H2O and CH3CO were used, and group interactions between ions (Li+, Na+, K+, Ca+2, Cl-, Br-, NO3- and ACE- and between ions and solvent groups have been estimated. The data base includes 29 binary and 56 ternary systems, used in part for the calculation of group interactions and in part for the testing of predictions.

The impact of oil dispersant solvent on performance

International Nuclear Information System (INIS)

Fiocco, R.J.; Lessard, R.R.; Canevari, G.P.; Becker, K.W.; Daling, P.S.

1995-01-01

Modern oil spill dispersant formulations are concentrated blends of surface active agents (surfactants) in a solvent carrier system. The surfactants are effective for lowering the interfacial tension of the oil slick and promoting and stabilizing oil-in-water dispersions. The solvent system has 2 key functions: (1) reduce viscosity of the surfactant blend to allow efficient dispersant application, and (2) promote mixing and diffusion of the surfactant blend into the oil film. A more detailed description than previously given in the literature is proposed to explain the mechanism of chemical dispersion and illustrate how the surfactant is delivered by the solvent to the oil-water interface. Laboratory data are presented which demonstrate the variability in dispersing effectiveness due to different solvent composition, particularly for viscous and emulsified test oils with viscosities up to 20,500 mPa·s. Other advantages of improved solvent components can include reduced evaporative losses during spraying, lower marine toxicity and reduced protective equipment requirements. Through this improved understanding of the role of the solvent, dispersants which are more effective over a wider range of oil types are being developed

The use of continuous data versus binary data in MTC models: a case study in rheumatoid arthritis.

Science.gov (United States)

Schmitz, Susanne; Adams, Roisin; Walsh, Cathal

2012-11-06

Estimates of relative efficacy between alternative treatments are crucial for decision making in health care. When sufficient head to head evidence is not available Bayesian mixed treatment comparison models provide a powerful methodology to obtain such estimates. While models can be fit to a broad range of efficacy measures, this paper illustrates the advantages of using continuous outcome measures compared to binary outcome measures. Using a case study in rheumatoid arthritis a Bayesian mixed treatment comparison model is fit to estimate the relative efficacy of five anti-TNF agents currently licensed in Europe. The model is fit for the continuous HAQ improvement outcome measure and a binary version thereof as well as for the binary ACR response measure and the underlying continuous effect. Results are compared regarding their power to detect differences between treatments. Sixteen randomized controlled trials were included for the analysis. For both analyses, based on the HAQ improvement as well as based on the ACR response, differences between treatments detected by the binary outcome measures are subsets of the differences detected by the underlying continuous effects. The information lost when transforming continuous data into a binary response measure translates into a loss of power to detect differences between treatments in mixed treatment comparison models. Binary outcome measures are therefore less sensitive to change than continuous measures. Furthermore the choice of cut-off point to construct the binary measure also impacts the relative efficacy estimates.

The use of continuous data versus binary data in MTC models: A case study in rheumatoid arthritis

Directory of Open Access Journals (Sweden)

Schmitz Susanne

2012-11-01

Full Text Available Abstract Background Estimates of relative efficacy between alternative treatments are crucial for decision making in health care. When sufficient head to head evidence is not available Bayesian mixed treatment comparison models provide a powerful methodology to obtain such estimates. While models can be fit to a broad range of efficacy measures, this paper illustrates the advantages of using continuous outcome measures compared to binary outcome measures. Methods Using a case study in rheumatoid arthritis a Bayesian mixed treatment comparison model is fit to estimate the relative efficacy of five anti-TNF agents currently licensed in Europe. The model is fit for the continuous HAQ improvement outcome measure and a binary version thereof as well as for the binary ACR response measure and the underlying continuous effect. Results are compared regarding their power to detect differences between treatments. Results Sixteen randomized controlled trials were included for the analysis. For both analyses, based on the HAQ improvement as well as based on the ACR response, differences between treatments detected by the binary outcome measures are subsets of the differences detected by the underlying continuous effects. Conclusions The information lost when transforming continuous data into a binary response measure translates into a loss of power to detect differences between treatments in mixed treatment comparison models. Binary outcome measures are therefore less sensitive to change than continuous measures. Furthermore the choice of cut-off point to construct the binary measure also impacts the relative efficacy estimates.

Critical solvent properties affecting the particle formation process and characteristics of celecoxib-loaded PLGA microparticles via spray-drying

DEFF Research Database (Denmark)

Wan, Feng; Bohr, Adam; Maltesen, Morten Jonas

2013-01-01

) microparticles prepared by spray-drying. METHODS: Binary mixtures of acetone and methanol at different molar ratios were applied to dissolve celecoxib and PLGA prior to spray-drying. The resulting microparticles were characterized with respect to morphology, texture, surface chemistry, solid state properties...... and drug release profile. The evaporation profiles of the feed solutions were investigated using thermogravimetric analysis (TGA). RESULTS: Spherical PLGA microparticles were obtained, irrespectively of the solvent composition. The particle size and surface chemistry were highly dependent on the solvent...

Prediction of the solubility in lipidic solvent mixture: Investigation of the modeling approach and thermodynamic analysis of solubility.

Science.gov (United States)

Patel, Shruti V; Patel, Sarsvatkumar

2015-09-18

Self-micro emulsifying drug delivery system (SMEDDS) is one of the methods to improve solubility and bioavailability of poorly soluble drug(s). The knowledge of the solubility of pharmaceuticals in pure lipidic solvents and solvent mixtures is crucial for designing the SMEDDS of poorly soluble drug substances. Since, experiments are very time consuming, a model, which allows for solubility predictions in solvent mixtures based on less experimental data is desirable for efficiency. Solvents employed were Labrafil® M1944CS and Labrasol® as lipidic solvents; Capryol-90®, Capryol-PGMC® and Tween®-80 as surfactants; Transcutol® and PEG-400 as co-solvents. Solubilities of both drugs were determined in single solvent systems at temperature (T) range of 283-333K. In present study, we investigated the applicability of the thermodynamic model to understand the solubility behavior of drugs in the lipiodic solvents. By using the Van't Hoff and general solubility theory, the thermodynamic functions like Gibbs free energy, enthalpy and entropy of solution, mixing and solvation for drug in single and mixed solvents were understood. The thermodynamic parameters were understood in the framework of drug-solvent interaction based on their chemical similarity and dissimilarity. Clotrimazole and Fluconazole were used as active ingredients whose solubility was measured in single solvent as a function of temperature and the data obtained were used to derive mathematical models which can predict solubility in multi-component solvent mixtures. Model dependent parameters for each drug were calculated at each temperature. The experimental solubility data of solute in mixed solvent system were measured experimentally and further correlated with the calculates values obtained from exponent model and log-linear model of Yalkowsky. The good correlation was observed between experimental solubility and predicted solubility. Copyright © 2015 Elsevier B.V. All rights reserved.

A comparative study on the thermophysical properties for two bis[(trifluoromethyl)sulfonyl]imide-based ionic liquids containing the trimethyl-sulfonium or the trimethyl-ammonium cation in molecular solvents.

Science.gov (United States)

Couadou, Erwan; Jacquemin, Johan; Galiano, Hervé; Hardacre, Christopher; Anouti, Mérièm

2013-02-07

Herein, we present a comparative study of the thermophysical properties of two homologous ionic liquids, namely, trimethyl-sulfonium bis[(trifluoromethyl)sulfonyl]imide, [S(111)][TFSI], and trimethyl-ammonium bis[(trifluoromethyl)sulfonyl]imide, [HN(111)][TFSI], and their mixtures with propylene carbonate, acetonitrile, or gamma butyrolactone as a function of temperature and composition. The influence of solvent addition on the viscosity, conductivity, and thermal properties of IL solutions was studied as a function of the solvent mole fraction from the maximum solubility of IL, x(s), in each solvent to the pure solvent. In this case, x(s) is the composition corresponding to the maximum salt solubility in each liquid solvent at a given temperature from 258.15 to 353.15 K. The effect of temperature on the transport properties of each binary mixture was then investigated by fitting the experimental data using Arrhenius' law and the Vogel-Tamman-Fulcher (VTF) equation. The experimental data shows that the residual conductivity at low temperature, e.g., 263.15 K, of each binary mixture is exceptionally high. For example, conductivity values up to 35 and 42 mS·cm(-1) were observed in the case of the [S(111)][TFSI] + ACN and [HN(111)][TFSI] + ACN binary mixtures, respectively. Subsequently, a theoretical approach based on the conductivity and on the viscosity of electrolytes was formulated by treating the migration of ions as a dynamical process governed by ion-ion and solvent-ion interactions. Within this model, viscosity data sets were first analyzed using the Jones-Dole equation. Using this theoretical approach, excellent agreement was obtained between the experimental and calculated conductivities for the binary mixtures investigated at 298.15 K as a function of the composition up to the maximum solubility of the IL. Finally, the thermal characterization of the IL solutions, using DSC measurements, showed a number of features corresponding to different solid

Molecular accessibility in solvent swelled coals. Quarterly report, [September--November, 1993

Energy Technology Data Exchange (ETDEWEB)

Kispert, L.D.

1993-11-01

This quarter, experiments were performed on the use of binary swelling solvents in molecular accessibility in coal conversion. These experiments consisted of accessibility measurements of spin probe VII (TEMPAMINE) in Toluene swelled Illinois No. 6 APCS coal. The toluene was spiked with amounts of pyridine which ranged in concentration from 500 ppm to 10%. The experiments were done in triplicate to gain information about the experimental error involved in the procedure. It was shown that oscillations occur in the concentration of spin probe retained as the amount of pyridine that is added to the swelling solvent is increased. These oscillations decrease in intensity as the concentration of pyridine in the solvent solution is increased up to 2% pyridine (0.2mLs pyridine in 10mLs toluene). From a 2% pyridine concentration to a 5% concentration, there is no significant change in the retention of spin probe VII. An increase in retention is observed when the concentration of pyridine is increased to 6% and 7% successively, followed by a large decrease at 8% and 9% pyridine. The largest changes in spin probe retention are observed for concentrations of pyridine less than 0.5%. A three fold increase in spin probe retention is observed upon the addition of 500 ppm pyridine in the toluene swelling solvent, which indicates that small amounts of a strong swelling solvent could be used to improve molecular accessibility 91% in coals swelled in an otherwise weak swelling solvent.

Watching the Solvation of Atoms in Liquids One Solvent Molecule at a Time

Science.gov (United States)

Bragg, Arthur E.; Glover, William J.; Schwartz, Benjamin J.

2010-06-01

We use mixed quantum-classical molecular dynamics simulations and ultrafast transient hole-burning spectroscopy to build a molecular-level picture of the motions of solvent molecules around Na atoms in liquid tetrahydrofuran. We find that even at room temperature, the solvation of Na atoms occurs in discrete steps, with the number of solvent molecules nearest the atom changing one at a time. This explains why the rate of solvent relaxation differs for different initial nonequilibrium states, and reveals how the solvent helps determine the identity of atomic species in liquids.

Morphological classification of mesoporous silicas synthesized in a binary water-ether solvent system

NARCIS (Netherlands)

Cai, Qiang; Geng, Yi; Zhao, Xiang; Cui, Kai; Sun, Qianyao; Chen, Xihua; Feng, Qingling; Li, Hengde; Vrieling, Engel G.

2008-01-01

Using diethyl ether as a co-solvent, a non-stable interface of biphasic oil-water system (the so-called oil-water two-phase (OWTP) system) was employed in the preparation of mesostructured silicas with diversified particle morphologies. By adjusting the molar ratios of H2O:C2H5OC2H5:NH3 center dot

Effect of temperature on mixing thermodynamics of a new ionic liquid: {2-Hydroxy ethylammonium formate (2-HEAF) + short hydroxylic solvents}

International Nuclear Information System (INIS)

Iglesias, M.; Torres, A.; Gonzalez-Olmos, R.; Salvatierra, D.

2008-01-01

Density and ultrasonic velocity of the mixtures of the new ionic liquid 2-hydroxy ethylammonium formate (2-HEAF) and short hydroxylic solvents (water, methanol, and ethanol) have been measured at the range of temperature (288.15 to 323.15) K and atmospheric pressure. The corresponding apparent molar volume and the apparent molar isentropic compressibility values have been evaluated from the experimental data and fitted to a temperature dependent Redlich-Mayer equation. From these correlations, the limiting infinite dilution values of the apparent magnitudes have also been computed. Derived properties such as isobaric expansibility and isothermal coefficient of pressure excess molar enthalpy were computed due to their importance in the study of specific molecular interactions. The new experimental data were used to test the capability of prediction of the modified Heller temperature dependent equation (MHE) and collision factor theory (CFT). The obtained results indicate that ionic liquid interactions in water are weaker than in the studied alcoholic solutions. An intersection point in isotherms of isentropic compressibility was observed for aqueous solutions which may be an indication of the clathrate structural interactions at high solvent composition. The observed inverse dependence on temperature for aqueous or alcoholic mixtures points out the special trend of packing of this ionic liquid into hydroxylic solvents and its strong dependence on steric hindrance of aliphatic residues. As previously observed, the increase in van der Waals forces due to the presence of long alkyl chain (into ionic liquid and alcohols) leads to higher interactions on mixing

Control of Chemical Equilibrium by Solvent: A Basis for Teaching Physical Chemistry of Solutions

Science.gov (United States)

Prezhdo, Oleg V.; Craig, Colleen F.; Fialkov, Yuriy; Prezhdo, Victor V.

2007-01-01

The study demonstrates that the solvent present in a system can highly alter and control the chemical equilibrium of a system. The results show that the dipole moment and polarizibility of a system can be highly altered by using different mixed solvents.

Effect of solvent polarity and temperature on the spectral and thermodynamic properties of exciplexes of 1-cyanonaphthalene with hexamethylbenzene in organic solvents

International Nuclear Information System (INIS)

Asim, Sadia; Mansha, Asim; Grampp, Günter; Landgraf, Stephan; Zahid, Muhammad; Bhatti, Ijaz Ahmad

2014-01-01

Study of the effect of solvent polarity and temperature is done on the exciplex emission spectra of 1-cyanonaphthalene with hexamethylbenzene. Exciplex system is studied in the range of partially polar solvents and in solvent mixture of propyl acetate and butyronitrile. The unique feature of this solvent mixture is that only the solvent polarity changes (6.0≤ε s ≤24.7) with the change in the mole fraction of solvents whereas the solvent viscosity and refractive index remains unaffected. Thermodynamic properties are calculated according to the models developed by Weller and Kuzmin. Fluorescence lifetimes for both the fluorophore as well as the exciplex are evaluated in all used solvents. Exciplex energetics as a function of solvent polarity and temperature are also discussed. Kuzmin model of self-consistent polarization is used for the explanation of the exciplex emission spectra. The effects of solvent polarity and temperature on energy of zero–zero transitions (hv 0 / ), Huang–Rhys factor (S), Gauss broadening of vibronic level (σ) and the dominant high-frequency vibration (hν ν ) are investigated. The strong dependence of exciplex stability and energetics upon the solvent polarity and temperature are observed. Full charge transfer exciplexes were observed in solvents of all polarities and stronger exciplex with large emission intensities were found in solvents of low polarities but with the increase in solvent polarity the exciplex becomes weak and they dissociate fastly into radical ion pairs. The kinetic model of Kuzmin was observed to reduce into the Weller kinetic model for this exciplex system with ∆G ET = −0.22 eV and the spectral shift, h∆ν>0.2 eV. - Highlights: • Exciplex formed as a result of mixing of charge transfer and locally excited states. • Effect of solvents polarity and temperature on the exciplex stability and thermodynamics. • Solvent polarity will decide the formation of contact radical ion pair or solvent separated

Influence of Mixed Solvent on the Electrochemical Property of Hybrid Capacitor.

Science.gov (United States)

Lee, Byunggwan; Yoon, J R

2015-11-01

The hybrid capacitors (2245 size, cylindrical type) were prepared by using activated carbon cathode and Li4Ti5O12 anode. In order to improve the cell operation at high temperature range, propylene carbonate (PC) was used in combination with acetonitrile (AN) with volume ratio of 7:3, 5:5, and 3:7, respectively. We investigated the electrochemical behavior of the hybrid capacitors that enabled cell operation with stability at high temperature. The organic electrolyte of hybrid capacitor containing PC and AN with a volume ratio 7:3 intended to exhibit highly reversible cycle performance with good capacity retention at 60 degrees C after 2200 cycles. From this study, it has been found that the very strong influence of the solvent nature on the characteristics of hybrid capacitor, and the difference in performance associated with the two solvents.

Marginal and Random Intercepts Models for Longitudinal Binary Data with Examples from Criminology

Science.gov (United States)

Long, Jeffrey D.; Loeber, Rolf; Farrington, David P.

2009-01-01

Two models for the analysis of longitudinal binary data are discussed: the marginal model and the random intercepts model. In contrast to the linear mixed model (LMM), the two models for binary data are not subsumed under a single hierarchical model. The marginal model provides group-level information whereas the random intercepts model provides…

Fluorescence quenching of newly synthesized biologically active coumarin derivative by aniline in binary solvent mixtures

International Nuclear Information System (INIS)

Evale, Basavaraj G.; Hanagodimath, S.M.

2009-01-01

The fluorescence quenching of newly synthesized coumarin (chromen-2-one) derivative, 4-(5-methyl-3-furan-2-yl-benzofuran-2-yl)-7-methyl-chromen-2-one (MFBMC) by aniline in different solvent mixtures of benzene and acetonitrile was determined at room temperature (296 K) by steady-state fluorescence measurements. The quenching is found to be appreciable and positive deviation from linearity was observed in the Stern-Volmer (S-V) plots in all the solvent mixtures. This could be explained by static and dynamic quenching models. The positive deviation in the S-V plot is interpreted in terms of ground-state complex formation model and sphere of action static quenching model. Various rate parameters for the fluorescence quenching process have been determined by using the modified Stern-Volmer equation. The sphere of action static quenching model agrees very well with experimental results. The dependence of Stern-Volmer constant K SV , on dielectric constant ε of the solvent mixture suggests that the fluorescence quenching is diffusion-limited. Further with the use of finite sink approximation model, it is concluded that these bimolecular quenching reactions are diffusion-limited. Using lifetime (τ o ) data, the distance parameter R' and mutual diffusion coefficient D are estimated independently.

Assessment of Relationship between Spontaneous Abortion and Occupational Exposure to Organic Solvents

Directory of Open Access Journals (Sweden)

S Mohammadi

2011-04-01

Full Text Available Introduction & Objective: Nowadays, some studies indicate the adverse effects of exposure to chemicals, especially organic solvents on the reproductive system of females. This study aimed to assess the relationship between spontaneous abortion with occupational exposure to organic solvents in pharmaceutical industry. Materials & Methods: This is a cross-sectional and descriptive-analytical study which was carried out in 2010 in one of the pharmaceutical factories located in the suburbs of Tehran. During the study, married women who were working in the factory laboratory units and were exposed to mixed organic solvents were compared with married women who were working in the packing units of the factory without occupational exposure to organic solvents. Frequency of spontaneous abortion and duration of pregnancy were assessed in both two groups. Collected data were analyzed with the SPSS software using t-test, logistic regression, and chi-square test. Results: In the present study, the frequency of spontaneous abortion in employees with exposure to organic solvents mixture was 10.7%. This study showed that even after adjustment for confounding factors, there was a significant correlation between spontaneous abortion and occupational exposure to organic solvents mixture and this correlation increased with increasing levels of exposure to organic solvents. Moreover, a significant correlation was observed between occupational exposure to mixed organic solvents and waiting time to become pregnant (TTP. Furthermore, this study showed that even after adjustment for confounding variables, shift workers were significantly more affected by spontaneous abortion compared to daytime workers (P < 0.001. Conclusion: According to the results of this study, since there is probability of spontaneous abortion resulting from occupational exposure to various chemicals including organic solvents, review of the status of occupational exposure of workers can be helpful

Impurity distribution behavior in caprolactam extraction with environmentally benign mixed solvents

NARCIS (Netherlands)

Delden, van M.L.; Drumm, C.; Kuipers, N.J.M.; Haan, de A.B.

2006-01-01

In a previous study a solvent mixture of heptane containing 40 mass % heptanol was selected as an alternative in the industrial extraction of caprolactam to replace benzene, toluene, or chlorinated hydrocarbons. This work reports the equilibrium distribution ratio of caprolactam and four model

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&acdnat=1459849853_b9a5413fefc3e9199e844a9ccc97f514

Comparative Study on the Solid Electrolyte Interface Formation by the Reduction of Alkyl Carbonates in Lithium ion Battery

International Nuclear Information System (INIS)

Haregewoin, Atetegeb Meazah; Leggesse, Ermias Girma; Jiang, Jyh-Chiang; Wang, Fu-Ming; Hwang, Bing-Joe; Lin, Shawn D.

2014-01-01

Mixed alkyl carbonates are widely used as solvent for a various lithium-ion battery applications. Understanding the behavior of each solvent in the mixed system is crucial for controlling the electrolyte composition. In this paper, we report a systematic electrochemical and spectroscopic comparison of the reduction of propylene carbonate (PC), ethylene carbonate (EC), and diethyl carbonate (DEC) when used as single (PC), binary (EC/PC, EC/DEC), and ternary (EC/PC/DEC) solvent systems. The reduction products are identified based on Fourier transform infrared spectroscopy (FTIR) after employing linear sweep voltammetry to certain potential regions and their possible formation mechanisms are discussed. FTIR analyses revealed that the reduction of EC and PC was not considerably influenced by the presence of other alkyl carbonates. However, DEC exhibited a different reduction product when used in EC/DEC and EC/PC/DEC solvent systems. The reduction of EC occurred before that of PC and DEC and produced a passivating surface film that prevented carbon exfoliation caused by PC. Battery performance test, cyclic voltammetry, electrochemical impedance spectroscopy, and scanning electron microscope is employed to study the surface films formed. The binary EC/DEC solvent system demonstrated more favorable performance, smaller impedance, and higher Li + ion diffusivity than did the other solvent systems used in this study

Variation of the solvation number of Eu(III) in mixed system of methanol and water

International Nuclear Information System (INIS)

Suganuma, H.; Arisaka, M.; Omori, T.; Satoh, I.; Choppin, G.R.

1999-01-01

The stability constants (β 1 ) of the monofluoride complex of Eu(III) have been determined in mixed solvents of methanol and water at a 0.10 M ionic strength using a solvent extraction technique. The values of ln β 1 increase as the mole fraction of methanol in the mixed solvent system increases. The variation in the stability constants can be correlated with both the large effect due to the solvation of F and the small effect due to both (1) the solvation of cations in connection with complexation and (2) the electrostatic attraction between Eu 3+ and F - . Based on the variation in the sum of (1) and (2) in water and the mixed solvent solutions, it was determined that the coordination number (CN) of Eu(III) varied from a mixture of CN = 9 and 8 to CN = 8 at about a 0.03 mole fraction of methanol in the mixed solvent. (orig.)

Phase equilibrium data for systems composed of oregano essential oil compounds and hydroalcoholic solvents at T = 298.2 K

International Nuclear Information System (INIS)

Capellini, Maria C.; Carvalho, Fernanda H.; Koshima, Cristina C.; Aracava, Keila K.; Gonçalves, Cintia B.; Rodrigues, Christianne E.C.

2015-01-01

Highlights: • (Liquid + liquid) equilibrium data for p-cymene, thymol, terpinen-4-ol, α-terpineol, ethanol and water were determined. • Complete second order models were fitted to the experimental data. • Distribution coefficients of thymol, terpinen-4-ol and α-terpineol in pure and mixed solute were evaluated. • Mass fractions of oxygenated compounds and water influenced the distribution coefficients of the essential oil components. • NRTL and UNIQUAC thermodynamic models satisfactorily describe the partition of components and solvent selectivity. - Abstract: The deterpenation process of essential oils consists of terpene removal and a consequent concentration of oxygenated compounds, which increases the sensorial quality, the aromatic potential and the oxidative stability of the oil. Deterpenation of oregano (Origanum vulgare L., Lamiaceae) essential oil, which has been used extensively as a popular medication and as an antimicrobial, antifungal, antimutagenic and a powerful antioxidant agent, can be performed by (liquid + liquid) extraction using hydroalcoholic solvents. This research presents (liquid + liquid) equilibrium data for model systems composed of p-cymene, thymol, terpinen-4-ol and α-terpineol, some of the main components of oregano essential oil, using hydrous ethanol as the solvent with the water mass fraction ranging from 0.28 to 0.41 at T = (298.2 ± 0.1) K. The results show that an increase in the hydration of the alcoholic solvent causes a negative influence on the values of the distribution coefficient for the three oxygenated compounds (thymol, terpinen-4-ol and α-terpineol), with an increase in solvent selectivity. An increase in the content of oxygenated compounds in the terpene-rich phase reduces their distribution coefficients and the selectivity values. In addition, binary interaction parameters were estimated correlating the experimental data using the NRTL and UNIQUAC thermodynamic models, and the global deviations were

Development of a novel solvent for the simultaneous separation of strontium and cesium from dissolved Spent Nuclear Fuel solutions

International Nuclear Information System (INIS)

Catherine L. Riddle; John D. Baker; Jack D. Law; Christopher A. McGrath; David H. Meikrantz; Bruce J. Mincher; Dean R. Peterman; Terry A. Todd

2004-01-01

The recovery of Cs and Sr from acidic solutions by solvent extraction has been investigated. The goal of this project was to develop an extraction process to remove Cs and Sr from high-level waste in an effort to reduce the heat loading in storage. Solvents for the extraction of Cs and Sr separately have been used on both caustic and acidic spent nuclear fuel waste in the past. The objective of this research was to find a suitable solvent for the extraction of both Cs and Sr simultaneously from acidic nitrate media. The solvents selected for this research possess good stability and extraction behavior when mixed together. The extraction experiments were performed with 4,4,(5)-Di-(tbutyldicyclohexano)-18-crown-6 (DtBuCH18C6), Calix[4]arene-bis-(tert-octylbenzocrown-6) (BOBCalixC6) and 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol (Cs-7SB modifier) in a branched aliphatic kerosene (Isopar L). The BOBCalixC6 and Cs-7SB modifier were developed at Oak Ridge National Laboratory (ORNL) by Bonnesen et al. [1]. The values obtained from the SREX solvent for DSr in 1 M nitric acid ranged from 0.7 to 2.2 at 25 C and 10 C respectively. The values for DCs in 1 M nitric acid with the CSSX solvent ranged from 8.0 to 46.0 at 25 C and 10 C respectively. A new mixed solvent, developed at the Idaho National Engineering and Environmental Laboratory (INEEL) by Riddle et al. [2], showed distributions for Sr ranging from 8.8 to 17.4 in 1 M nitric acid at 25 C and 10 C respectively. The DCs for the mixed solvent ranged from 7.7 to 20.2 in 1 M nitric acid at 25 C to 10 C respectively. The unexpectedly high distributions for Sr at both 25 C and 10 C show a synergy in the mixed solvent. The DCs, although lower than with CSSX solvent, still showed good extraction behavior

Study of thermodynamic and acoustic behaviour of nicotinic acid in binary aqueous mixtures of D-lactose

Science.gov (United States)

Sharma, Ravi; Thakur, R. C.

2017-07-01

In the present study, the thermodynamic properties such as partial molar volumes, partial molar expansibilities, partial molar compressibilities, partial molar heat capacities and isobaric thermal expansion coefficient of different solutions of nicotinic acid in binary aqueous mixtures of D-lactose have been determined at different temperatures (298.15, 303.15, 308.15, 313.15) K. Masson's equation is used to interpret the data in terms of solute-solute and solute-solvent interactions. In the present study it has been found that nicotinic acid behaves as structure maker in aqueous and binary aqueous mixtures of D-lactose.

Separation properties of aluminium-plastic laminates in post-consumer Tetra Pak with mixed organic solvent.

Science.gov (United States)

Zhang, S F; Zhang, L L; Luo, K; Sun, Z X; Mei, X X

2014-04-01

The separation properties of the aluminium-plastic laminates in postconsumer Tetra Pak structure were studied in this present work. The organic solvent blend of benzene-ethyl alcohol-water was used as the separation reagent. Then triangle coordinate figure analysis was taken to optimize the volume proportion of various components in the separating agent and separation process. And the separation temperature of aluminium-plastic laminates was determined by the separation time, efficiency, and total mass loss of products. The results show that cost-efficient separations perform best with low usage of solvents at certain temperatures, for certain times, and within a certain range of volume proportions of the three components in the solvent agent. It is also found that similar solubility parameters of solvents and polyethylene adhesives (range 26.06-34.85) are a key factor for the separation of the aluminium-plastic laminates. Such multisolvent processes based on the combined-system concept will be vital to applications in the recycling industry.

Enhanced fluidity liquid chromatography of inulin fructans using ternary solvent strength and selectivity gradients.

Science.gov (United States)

Bennett, Raffeal; Olesik, Susan V

2018-01-25

The value of exploring selectivity and solvent strength ternary gradients in enhanced fluidity liquid chromatography (EFLC) is demonstrated for the separation of inulin-type fructans from chicory. Commercial binary pump systems for supercritical fluid chromatography only allow for the implementation of ternary solvent strength gradients which can be restrictive for the separation of polar polymeric analytes. In this work, a custom system was designed to extend the capability of EFLC to allow tuning of selectivity or solvent strength in ternary gradients. Gradient profiles were evaluated using the Berridge function (RF 1 ), normalized resolution product (NRP), and gradient peak capacity (P c ). Selectivity gradients provided the separation of more analytes over time. The RF 1 function showed favor to selectivity gradients with comparable P c to that of solvent strength gradients. NRP did not strongly correlate with P c or RF 1 score. EFLC with the hydrophilic interaction chromatography, HILIC, separation mode was successfully employed to separate up to 47 fructan analytes in less than 25 min using a selectivity gradient. Copyright © 2017 Elsevier B.V. All rights reserved.

Extracting solid carbonaceous materials with solvents

Energy Technology Data Exchange (ETDEWEB)

1936-02-08

Solvent extraction of solid carbonaceous materials is performed in the presence of powdered catalysts together with alkaline substances. Oxides of nickel or iron or nickel nitrate have been used together with caustic soda or potash solutions or milk of lime. Solvents used include benzenes, middle oils, tars, tetrahydronaphthalene. The extraction is performed at 200 to 500/sup 0/C under pressures of 20 to 200 atm. Finely ground peat was dried and mixed with milk of lime and nickel nitrate and an equal quantity of middle oil. The mixture was heated for 3 h at 380/sup 0/C at 90 atm. 88.5% of the peat was extracted. In a similar treatment brown coal was impregnated with solutions of caustic soda and ferric chloride.

On the optimity of separation cascade for a binary and a multi-component case

International Nuclear Information System (INIS)

Song, T.M.; Zeng, S.

2006-01-01

The optimity discussed in this article means minimum total interstage flow which is studied for two cases, a binary and a multi-component case, using direct numerical optimizations for countercurrent symmetric cascades with the concentrations of the target component specified in the .feed flow, the product and waste withdrawals In binary separation, the ideal cascade in which there are no mixing losses and whose stages are working under symmetric separation is the optimum cascade that has the minimum total flow However when the separation factor is large, there may not exist an ideal cascade for certain prescribed external parameters. Cascades are optimized numerically to minimize mixing losses and total flows, respectively The results are compared for the minimum mixing losses and the minimum total flow, and analyzed with theoretically derived formulas. For the multi-component case, satisfying the non-mixing condition is impossible. There is a counterpart of the binary ideal cascade named MARC which matches the abundance ratio at mixing points. An optimization example for a four-cornponent mixture separation cascade is analyzed with the first and the last components as the targets, respectively. The results show that MARC is not the optimum cascade for the separation of one certain isotope. The separation power of each stage in the optimized cascades is calculated using several different definitions, and the rationality of these definitions is discussed. The Q-iteration method is used to calculate the concentration distribution in both the binary and the multi-component cases. Ns-2 stage cuts out of the Ns stages of the cascade are the optimization variables in the optimization process and a combination of the simulated annealing and the Hooke-Jeeves method is applied as the optimization technique to find the minimum. (authors)

Effect of solvent polarity and temperature on the spectral and thermodynamic properties of exciplexes of 1-cyanonaphthalene with hexamethylbenzene in organic solvents

Energy Technology Data Exchange (ETDEWEB)

Asim, Sadia [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Department of Chemistry and Biochemistry, University of Agriculture, Faisalabad (Pakistan); Mansha, Asim [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Department of Chemistry, Government College University, Faisalabad (Pakistan); Grampp, Günter, E-mail: grampp@tugraz.at [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Landgraf, Stephan [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Zahid, Muhammad [Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremaryrgasse 9, A-8010 Graz (Austria); Department of Chemistry and Biochemistry, University of Agriculture, Faisalabad (Pakistan); Bhatti, Ijaz Ahmad [Department of Chemistry and Biochemistry, University of Agriculture, Faisalabad (Pakistan)

2014-09-15

Study of the effect of solvent polarity and temperature is done on the exciplex emission spectra of 1-cyanonaphthalene with hexamethylbenzene. Exciplex system is studied in the range of partially polar solvents and in solvent mixture of propyl acetate and butyronitrile. The unique feature of this solvent mixture is that only the solvent polarity changes (6.0≤ε{sub s}≤24.7) with the change in the mole fraction of solvents whereas the solvent viscosity and refractive index remains unaffected. Thermodynamic properties are calculated according to the models developed by Weller and Kuzmin. Fluorescence lifetimes for both the fluorophore as well as the exciplex are evaluated in all used solvents. Exciplex energetics as a function of solvent polarity and temperature are also discussed. Kuzmin model of self-consistent polarization is used for the explanation of the exciplex emission spectra. The effects of solvent polarity and temperature on energy of zero–zero transitions (hv{sub 0}{sup /}), Huang–Rhys factor (S), Gauss broadening of vibronic level (σ) and the dominant high-frequency vibration (hν{sub ν}) are investigated. The strong dependence of exciplex stability and energetics upon the solvent polarity and temperature are observed. Full charge transfer exciplexes were observed in solvents of all polarities and stronger exciplex with large emission intensities were found in solvents of low polarities but with the increase in solvent polarity the exciplex becomes weak and they dissociate fastly into radical ion pairs. The kinetic model of Kuzmin was observed to reduce into the Weller kinetic model for this exciplex system with ∆G{sub ET} = −0.22 eV and the spectral shift, h∆ν>0.2 eV. - Highlights: • Exciplex formed as a result of mixing of charge transfer and locally excited states. • Effect of solvents polarity and temperature on the exciplex stability and thermodynamics. • Solvent polarity will decide the formation of contact radical ion pair

Predictive simulation of the solvent extraction of aromatics from middle distillates

Energy Technology Data Exchange (ETDEWEB)

Rahman, M.

1983-03-01

This work describes a predictive method for calculating liquid-liquid aromatics extracton from a middle distillate. Group contribution models of the ASOG and UNIFAC type are investigated. Four vapor-liquid equilibria (VLE) on the binary of naphthalene - n-dodecane, naphthalene - n-tetradecane, phenanthrene - n-hexadecane and transdecaline - benzene and two solid-liquid equilibria (SLE) on the binary of naphthalene - n-hexadecane and phenanthrene - n-hexadecane were measured. Dimethylformamide (DMF) was chosen as an extracting solvent. Three liquid-liquid equilibria (LLE) on the binary of DMF with n-hexadecane, n-tetradecane or trans + cis decaline and six ternary LLE on the mixture of DMF - n-hexadecane with octyl benzene, tetralin, 1 methyl naphthalene, phenanthrene or benzothiophene and on the mixture of decaline - DMF with benzothiophene were also measured. The parameters of the models are based mainly on the data for the systems composed by hydrocarbons with a 10-20 carbon number. The data for VLE, SLE and the infinite dilution activity coefficient (17-245/sup 0/C) were used to calculate interaction parameters between hydrocarbon groups, and LLE data (20-80/sup 0/C) for interaction parameters of dimethylformamide - hydrocarbon groups. The validity of the models for predicting the LLE of DMF - hydrocarbon multicomponent mixture (8 components) was verified. Middle distillate representation is based on mass spectrometric and gas chromatographic analysis and on limited data on middle distillate - DMF LLE. Two models for middle-distillate representation were investigated. It is shown that the performance of ASOG and UNIFAC are sufficiently valid for representing of basic data and for the predicting the solvent extraction of aromatics from middle distillates. The method investigated can be useful for the rapid preliminary study of extraction processes.

Solubility of gallic acid in liquid mixtures of (ethanol + water) from (293.15 to 318.15) K

International Nuclear Information System (INIS)

Noubigh, Adel; Jeribi, Chokri; Mgaidi, Arbi; Abderrabba, Manef

2012-01-01

Graphical abstract: Solubility of gallic acid vs the mole fraction of ethanol (0.0 to 1) on a solute-free basis in ethanol + water at different temperatures/K. □, 293.15; Δ, 298.15; ◊, 303.15; line calculated by equation. Highlights: ► Solubilities of gallic acid in binary mixtures were determined over the temperatures range (293.15 to 318.15) K. ► The gallic acid solubility in mixed solvents presents a maximum-solubility effect. ► Two empirical equations were proposed to correlate the solubility Data. ► The thermodynamic properties were determined. - Abstract: The solubility of gallic acid in (water + ethanol) binary solvents was determined from (293.15 to 318.15) K at atmospheric pressure using a thermostatted reactor and UV/vis spectrophotometer analysis. The effects of binary solvents composition and temperature on the solubility were discussed. It was found that gallic acid solubility in (water + ethanol) mixed solvents presents a maximum-solubility effect. Two empirical equations were proposed to correlate the solubility data. The calculated solubilities show good agreement with the experimental data within the studied temperature range. Using the experimentally measured solubilities, the thermodynamic properties of dissolution of the gallic acid such as Gibbs energy (Δ sol G°), molar enthalpy of dissolution (Δ sol H°), and molar entropy of dissolution (Δ sol S°) were calculated.

Interacting binaries

International Nuclear Information System (INIS)

Eggleton, P.P.; Pringle, J.E.

1985-01-01

This volume contains 15 review articles in the field of binary stars. The subjects reviewed span considerably, from the shortest period of interacting binaries to the longest, symbiotic stars. Also included are articles on Algols, X-ray binaries and Wolf-Rayet stars (single and binary). Contents: Preface. List of Participants. Activity of Contact Binary Systems. Wolf-Rayet Stars and Binarity. Symbiotic Stars. Massive X-ray Binaries. Stars that go Hump in the Night: The SU UMa Stars. Interacting Binaries - Summing Up

Studies on simulated nuclear waste of mixed solvent type

International Nuclear Information System (INIS)

Aggarwal, S.

1989-09-01

Caesium 137, strontium 90 and ruthenium 106 are among the longest lived fission products present in reprocessing wastes and are therefore considered to be a long term hazard to the environment. A method for removal of 137-Cs, 90-Sr and 106-Ru from the nuclear waste is by ion-exchange and sorption. Radiochemical methods were employed to investigate the uptake of 137-Cs, 90-Sr and 106-Ru by synthetic type A, X, Y, zeolites and by mordenite and clinoptilolite. The solvents employed were tributylphosphate (TBP) and kerosene (OK). The dependence of the exchange process on time was studied at room temperature. The exchange equilibrium was strongly dependent on time during the first hour but then attained equilibrium. It was also noted that the distribution coefficient (Kd) values for 137-Cs were higher than those for 90-Sr which were higher than those for 106-Ru. Thus the order of extraction was: 137-Cs > 90-Sr > 106-Ru. Ethanol was also used as the solvent to see the effect on the Kds by varying the amount of water present, i.e. from 0% water to 10% water. It was observed that the Kd increased with an increase in water content. The effect of pH and different ratios of TBP:OK were also studied. There was no relationship between the Kds and the different ratios. Some work was also done on the adsorption of 137-Cs on cements and cement phases. The sorption of 137-Cs on to all types of cements was low. (author)

[Analysis of binary classification repeated measurement data with GEE and GLMMs using SPSS software].

Science.gov (United States)

An, Shengli; Zhang, Yanhong; Chen, Zheng

2012-12-01

To analyze binary classification repeated measurement data with generalized estimating equations (GEE) and generalized linear mixed models (GLMMs) using SPSS19.0. GEE and GLMMs models were tested using binary classification repeated measurement data sample using SPSS19.0. Compared with SAS, SPSS19.0 allowed convenient analysis of categorical repeated measurement data using GEE and GLMMs.

Multiple Solvent Extraction System with Flow Injection Technology.

Science.gov (United States)

1981-09-30

encounters a back extraction step where the direction of the extraction is from organic to aqueous solvent. Thus it is advantageous to incorporate both...stainless steel ( Alltech Associates, Arlington Heights, IQ) and prepared from a single section of 180 cmn in length. The Section 2 mixing and extraction

The True Ultracool Binary Fraction Using Spectral Binaries

Science.gov (United States)

Bardalez Gagliuffi, Daniella; Burgasser, Adam J.; Schmidt, Sarah J.; Gagné, Jonathan; Faherty, Jacqueline K.; Cruz, Kelle; Gelino, Chris

2018-01-01

Brown dwarfs bridge the gap between stars and giant planets. While the essential mechanisms governing their formation are not well constrained, binary statistics are a direct outcome of the formation process, and thus provide a means to test formation theories. Observational constraints on the brown dwarf binary fraction place it at 10 ‑ 20%, dominated by imaging studies (85% of systems) with the most common separation at 4 AU. This coincides with the resolution limit of state-of-the-art imaging techniques, suggesting that the binary fraction is underestimated. We have developed a separation-independent method to identify and characterize tightly-separated (dwarfs as spectral binaries by identifying traces of methane in the spectra of late-M and early-L dwarfs. Imaging follow-up of 17 spectral binaries yielded 3 (18%) resolved systems, corroborating the observed binary fraction, but 5 (29%) known binaries were missed, reinforcing the hypothesis that the short-separation systems are undercounted. In order to find the true binary fraction of brown dwarfs, we have compiled a volume-limited, spectroscopic sample of M7-L5 dwarfs and searched for T dwarf companions. In the 25 pc volume, 4 candidates were found, three of which are already confirmed, leading to a spectral binary fraction of 0.95 ± 0.50%, albeit for a specific combination of spectral types. To extract the true binary fraction and determine the biases of the spectral binary method, we have produced a binary population simulation based on different assumptions of the mass function, age distribution, evolutionary models and mass ratio distribution. Applying the correction fraction resulting from this method to the observed spectral binary fraction yields a true binary fraction of 27 ± 4%, which is roughly within 1σ of the binary fraction obtained from high resolution imaging studies, radial velocity and astrometric monitoring. This method can be extended to identify giant planet companions to young brown

EXIT Chart Analysis of Binary Message-Passing Decoders

DEFF Research Database (Denmark)

Lechner, Gottfried; Pedersen, Troels; Kramer, Gerhard

2007-01-01

Binary message-passing decoders for LDPC codes are analyzed using EXIT charts. For the analysis, the variable node decoder performs all computations in the L-value domain. For the special case of a hard decision channel, this leads to the well know Gallager B algorithm, while the analysis can...... be extended to channels with larger output alphabets. By increasing the output alphabet from hard decisions to four symbols, a gain of more than 1.0 dB is achieved using optimized codes. For this code optimization, the mixing property of EXIT functions has to be modified to the case of binary message......-passing decoders....

Experiment on the treatment of waste extraction solvent from the molybdenum-99 process

Energy Technology Data Exchange (ETDEWEB)

Hsien-Ming Hsiao; Chang-Liang Hu; Kuang-Li Chien; Wen-Cheng Lee; Tsong-Yang Wei [Division of Chemical Engineering, Institute of Nuclear Energy Research, P.O. Box 3-7, Longtan 32546 Taiwan (China)

2013-07-01

In the Mo-99 (Molybdenum-99) isotope extraction test process for radiopharmaceutical applications, organic solvent is used to extract Mo-99 from an irradiated UO{sub 2} dissolution. The extraction solvent was stored when the test work was stopped. A total of about 120 liters of waste solvent was stored at INER (Institute of Nuclear Energy Research, Taiwan). The extraction solvent consisted of 5% di-(2-ethylhexyl)-phosphoric acid (D2EHPA) and kerosene. The radionuclides found in the waste solvent include Cs-137, Am-241, Tc-99, and Sr-90, which give off gross alpha and beta radioactivity of 1898 and 471 Bq/ml, respectively. This study aims to remove radionuclides from the waste solvent using sodium carbonate and sodium hydroxide solutions in different concentrations. After mixing the waste solvent with the alkaline solution followed by settling, a third phase other than organic and aqueous phase appeared which is expected due to the saponification reaction. The experimental results showed that increasing the number of washing and the alkaline solution concentration could enhance the radionuclides removal rate. An optimal removal method was proposed using 2 M Na{sub 2}CO{sub 3} solution twice followed by 1 M NaOH solution one time for the third phase generated early in the mixing stages. The remaining gross alpha and beta radioactivity of the treated organic solvent was 2 and 3 Bq/ml, respectively. The treated solvent could be stabilized by ashing at 500 deg. C and then immobilized. The alkaline solution would be neutralized by hydrochloric or nitric acid and then treated using a variety of adsorbents or bone char via adsorption to remove nuclides to meet the wastewater discharge limitation. (authors)

Application of the Fokker-Planck molecular mixing model to turbulent scalar mixing using moment methods

Science.gov (United States)

Madadi-Kandjani, E.; Fox, R. O.; Passalacqua, A.

2017-06-01

An extended quadrature method of moments using the β kernel density function (β -EQMOM) is used to approximate solutions to the evolution equation for univariate and bivariate composition probability distribution functions (PDFs) of a passive scalar for binary and ternary mixing. The key element of interest is the molecular mixing term, which is described using the Fokker-Planck (FP) molecular mixing model. The direct numerical simulations (DNSs) of Eswaran and Pope ["Direct numerical simulations of the turbulent mixing of a passive scalar," Phys. Fluids 31, 506 (1988)] and the amplitude mapping closure (AMC) of Pope ["Mapping closures for turbulent mixing and reaction," Theor. Comput. Fluid Dyn. 2, 255 (1991)] are taken as reference solutions to establish the accuracy of the FP model in the case of binary mixing. The DNSs of Juneja and Pope ["A DNS study of turbulent mixing of two passive scalars," Phys. Fluids 8, 2161 (1996)] are used to validate the results obtained for ternary mixing. Simulations are performed with both the conditional scalar dissipation rate (CSDR) proposed by Fox [Computational Methods for Turbulent Reacting Flows (Cambridge University Press, 2003)] and the CSDR from AMC, with the scalar dissipation rate provided as input and obtained from the DNS. Using scalar moments up to fourth order, the ability of the FP model to capture the evolution of the shape of the PDF, important in turbulent mixing problems, is demonstrated. Compared to the widely used assumed β -PDF model [S. S. Girimaji, "Assumed β-pdf model for turbulent mixing: Validation and extension to multiple scalar mixing," Combust. Sci. Technol. 78, 177 (1991)], the β -EQMOM solution to the FP model more accurately describes the initial mixing process with a relatively small increase in computational cost.

Composition profile determination in isomorphous binary alloys

International Nuclear Information System (INIS)

An, C.Y.; Bandeira, I.N.

1983-07-01

The inhomogeneity along the growth axis of the pseudo-binary alloys is due to the segregation of the solute which will be mixed in the melt due to convective and diffusive flows. A process for determination of the exact composition profile by measurements of the crystal density, for alloys of the type A sub(1-x) B sub(x), is shown. (Author) [pt

A novel water soluble solvatochromic probe as a micropolarity reporter for homogeneous and microheterogeneous media

Energy Technology Data Exchange (ETDEWEB)

Sarkar, Amrita; Kedia, Niraja [Department of Chemical Sciences, Indian Institute of Science Education and Research, Kolkata, Mohanpur Campus, BCKV Main P.O., Mohanpur 741252, Nadia, WB (India); Bagchi, Sanjib, E-mail: bsanjibb@yahoo.com [Department of Chemistry and Biochemistry, Presidency University, 86/1 College Street, Kolkata 700073 (India)

2014-07-01

A new water soluble donor–acceptor dye, sodium 4-(methyl((1E,3E)-3-(1-oxo-1H-inden-2(3H)-ylidene)prop-1-enyl)amino) benzoate (DN3) has been synthesized. Optical response of the solvatochromic dye (DN3) has been studied in various homogeneous (neat and mixed binary solvents) and heterogeneous (SDS and CTAB homomicelle and β-cyclodextrin nanocavity) media. To get information regarding the change in the solvation interaction of the dye with the alteration in its microenvironment in different media, the photophysical properties of the dye have been monitored in various media using steady state and time resolved spectral analysis. Results obtained for mixed binary solvents containing water indicate that the solute is preferentially solvated by one of the component solvents and solvent–solvent interactions are also important in determining the preference. Effect of variation of pH in aqueous medium on the spectroscopic parameters of the dye has been studied and its pKa has been estimated. Studies in homomicelles (SDS and CTAB) reveal that the dye distributes itself between the aqueous and the micellar phase and the values of distribution coefficient have been estimated from the fluorescence parameters. The dye is encapsulated in β-cyclodextrin nanocavity and a 1:2 dye-β-cyclodextrin host–guest interaction is indicated. Semi-empirical quantum chemical calculations have been carried out to support the experimental results. - Highlights: • A water soluble fluorescent dye has been synthesized and studied in various media. • The dye is sensitive towards changes in micropolarity and pH of the medium. • Study in mixed binary solvent system indicates preferential solvation of the dye. • Stronger interaction of the dye is indicated with CTAB micelles compared to SDS. • Study in aqueous β-CD medium reveals favorable 1:2 binding of the dye with β-CD.

A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum-classical approximation. II. Proton transfer reaction in non-polar solvent

Science.gov (United States)

Kojima, H.; Yamada, A.; Okazaki, S.

2015-05-01

The intramolecular proton transfer reaction of malonaldehyde in neon solvent has been investigated by mixed quantum-classical molecular dynamics (QCMD) calculations and fully classical molecular dynamics (FCMD) calculations. Comparing these calculated results with those for malonaldehyde in water reported in Part I [A. Yamada, H. Kojima, and S. Okazaki, J. Chem. Phys. 141, 084509 (2014)], the solvent dependence of the reaction rate, the reaction mechanism involved, and the quantum effect therein have been investigated. With FCMD, the reaction rate in weakly interacting neon is lower than that in strongly interacting water. However, with QCMD, the order of the reaction rates is reversed. To investigate the mechanisms in detail, the reactions were categorized into three mechanisms: tunneling, thermal activation, and barrier vanishing. Then, the quantum and solvent effects were analyzed from the viewpoint of the reaction mechanism focusing on the shape of potential energy curve and its fluctuations. The higher reaction rate that was found for neon in QCMD compared with that found for water solvent arises from the tunneling reactions because of the nearly symmetric double-well shape of the potential curve in neon. The thermal activation and barrier vanishing reactions were also accelerated by the zero-point energy. The number of reactions based on these two mechanisms in water was greater than that in neon in both QCMD and FCMD because these reactions are dominated by the strength of solute-solvent interactions.

Molten carbonate fuel cell cathode with mixed oxide coating

Science.gov (United States)

Hilmi, Abdelkader; Yuh, Chao-Yi

2013-05-07

A molten carbonate fuel cell cathode having a cathode body and a coating of a mixed oxygen ion conductor materials. The mixed oxygen ion conductor materials are formed from ceria or doped ceria, such as gadolinium doped ceria or yttrium doped ceria. The coating is deposited on the cathode body using a sol-gel process, which utilizes as precursors organometallic compounds, organic and inorganic salts, hydroxides or alkoxides and which uses as the solvent water, organic solvent or a mixture of same.

Comparison Pore Aggregate Levels After Extraction With Solvents Pertamax Plus And Gasoline

Science.gov (United States)

Anggraini, Muthia

2017-12-01

Loss of asphalt content extraction results become problems in Field Work For implementing parties. The use of solvents with high octane (pertamax plus) for the extraction, dissolving the asphalt more than gasoline. By comparing the levels of aggregate pores after using solvent extraction pertamax plus compared to gasoline could answer that pertamax plus more solvent dissolves the bitumen compared to gasoline. This study aims to obtain comparative levels of porous aggregate mix AC-WC after using solvent extraction pertamax plus compared to gasoline. This study uses the aggregate that has been extracted from the production of asphalt mixtures, when finisher and after compaction field. The method used is the assay of coarse and fine aggregate pores, extraction of bitumen content to separate the aggregate with bitumen. Results of testing the total absorption after extraction using a solvent preta max plus in the production of asphalt mixtures 0.80%, while gasoline solvent 0.67% deviation occurs 0.13%. In the finisher after the solvent extraction preta max plus 0.77%, while 0.67% gasoline solvent occurs deviation of 0.1%. At the core after extraction and solvent pertamax plus 0.71%, while gasoline solvent 0.60% 0.11% deviation occurs. The total water absorption after extraction using a solvent pertamax plus greater than gasoline. This proves that the solvent dissolves pertamax plus more asphalt than gasoline.

Learning to assign binary weights to binary descriptor

Science.gov (United States)

Huang, Zhoudi; Wei, Zhenzhong; Zhang, Guangjun

2016-10-01

Constructing robust binary local feature descriptors are receiving increasing interest due to their binary nature, which can enable fast processing while requiring significantly less memory than their floating-point competitors. To bridge the performance gap between the binary and floating-point descriptors without increasing the computational cost of computing and matching, optimal binary weights are learning to assign to binary descriptor for considering each bit might contribute differently to the distinctiveness and robustness. Technically, a large-scale regularized optimization method is applied to learn float weights for each bit of the binary descriptor. Furthermore, binary approximation for the float weights is performed by utilizing an efficient alternatively greedy strategy, which can significantly improve the discriminative power while preserve fast matching advantage. Extensive experimental results on two challenging datasets (Brown dataset and Oxford dataset) demonstrate the effectiveness and efficiency of the proposed method.

Contribution to the study of the degradation of the solvent used in a nuclear fuel reprocessing plant

International Nuclear Information System (INIS)

Goasmat, F.

1984-01-01

The degradation of a mixed solvent (tributylphosphate - hydrocarbons) in a fuel reprocessing plant (UP 2 at La Hague, France) is studied in this thesis. Laboratory studies on degradation mechanisms, decomposition products and regeneration processes are reviewed in a bibliographic synthesis. Solvent degradation is investigated on a real solvent from a reprocessing plant. Influence of degradation on solvent performance is shown and regeneration processes should be improved. Many regeneration processes are tested on solvent from the plant and results are discussed. Separation and analysis of degradation products show the polyfunctional structure of compounds formed [fr

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

Role of solvent-mediated carbodiimide cross-linking in fabrication of electrospun gelatin nanofibrous membranes as ophthalmic biomaterials

International Nuclear Information System (INIS)

Chou, Shih-Feng; Luo, Li-Jyuan; Lai, Jui-Yang; Ma, David Hui-Kang

2017-01-01

Due to their ability to mimic the structure of extracellular matrix, electrospun gelatin nanofibers are promising cell scaffolding materials for tissue engineering applications. However, the hydrophilic gelatin molecules usually need stabilization before use in aqueous physiological environment. Considering that biomaterials cross-linked via film immersion technique may have a more homogeneous cross-linked structure than vapor phase cross-linking, this work aims to investigate the chemical modification of electrospun gelatin nanofibrous membranes by liquid phase carbodiimide in the presence of ethanol/water co-solvents with varying ethanol concentrations ranging from 80 to 99.5 vol%. The results of characterization showed that increasing water content in the binary reaction solvent system increases the extent of cross-linking of gelatin nanofibers, but simultaneously promotes the effect of biopolymer swelling and distortion in fiber mat structure. As compared to non-cross-linked counterparts, carbodiimide treated gelatin nanofibrous mats exhibited better thermal and biological stability where the shrinkage temperature and resistance to enzymatic degradation varied in response to ethanol/water solvent composition-mediated generation of cross-links. Irrespective of their cross-linking density, all studied membrane samples did not induce any responses in ocular epithelial cell cultures derived from cornea, lens, and retina. Unlike many other cross-linking agents and/or methods (e.g., excessive vapor phase cross-linking) that may pose a risk of toxicity, our study demonstrated that these nanofibrous materials are well tolerated by anterior segment tissues. These findings also indicate the safety of using ethanol/water co-solvents for chemical cross-linking of gelatin to engineer nanofibrous materials with negligible biological effects. In summary, the present results suggest the importance of solvent-mediated carbodiimide cross-linking in modulating structure�

Role of solvent-mediated carbodiimide cross-linking in fabrication of electrospun gelatin nanofibrous membranes as ophthalmic biomaterials

Energy Technology Data Exchange (ETDEWEB)

Chou, Shih-Feng [Department of Mechanical Engineering, University of Texas at Tyler, Tyler, TX 75799 (United States); Luo, Li-Jyuan [Department of Chemical and Materials Engineering, Chang Gung University, Taoyuan 33302, Taiwan, ROC (China); Lai, Jui-Yang, E-mail: jylai@mail.cgu.edu.tw [Institute of Biochemical and Biomedical Engineering, Chang Gung University, Taoyuan 33302, Taiwan, ROC (China); Biomedical Engineering Research Center, Chang Gung University, Taoyuan 33302, Taiwan, ROC (China); Center for Tissue Engineering, Chang Gung Memorial Hospital, Taoyuan 33305, Taiwan, ROC (China); Department of Ophthalmology, Chang Gung Memorial Hospital, Taoyuan 33305, Taiwan, ROC (China); Department of Materials Engineering, Ming Chi University of Technology, New Taipei City 24301, Taiwan, ROC (China); Ma, David Hui-Kang [Center for Tissue Engineering, Chang Gung Memorial Hospital, Taoyuan 33305, Taiwan, ROC (China); Department of Ophthalmology, Chang Gung Memorial Hospital, Taoyuan 33305, Taiwan, ROC (China); Department of Chinese Medicine, Chang Gung University, Taoyuan 33302, Taiwan, ROC (China)

2017-02-01

Due to their ability to mimic the structure of extracellular matrix, electrospun gelatin nanofibers are promising cell scaffolding materials for tissue engineering applications. However, the hydrophilic gelatin molecules usually need stabilization before use in aqueous physiological environment. Considering that biomaterials cross-linked via film immersion technique may have a more homogeneous cross-linked structure than vapor phase cross-linking, this work aims to investigate the chemical modification of electrospun gelatin nanofibrous membranes by liquid phase carbodiimide in the presence of ethanol/water co-solvents with varying ethanol concentrations ranging from 80 to 99.5 vol%. The results of characterization showed that increasing water content in the binary reaction solvent system increases the extent of cross-linking of gelatin nanofibers, but simultaneously promotes the effect of biopolymer swelling and distortion in fiber mat structure. As compared to non-cross-linked counterparts, carbodiimide treated gelatin nanofibrous mats exhibited better thermal and biological stability where the shrinkage temperature and resistance to enzymatic degradation varied in response to ethanol/water solvent composition-mediated generation of cross-links. Irrespective of their cross-linking density, all studied membrane samples did not induce any responses in ocular epithelial cell cultures derived from cornea, lens, and retina. Unlike many other cross-linking agents and/or methods (e.g., excessive vapor phase cross-linking) that may pose a risk of toxicity, our study demonstrated that these nanofibrous materials are well tolerated by anterior segment tissues. These findings also indicate the safety of using ethanol/water co-solvents for chemical cross-linking of gelatin to engineer nanofibrous materials with negligible biological effects. In summary, the present results suggest the importance of solvent-mediated carbodiimide cross-linking in modulating structure�

Influence of evaporation and solvent mixtures on the absorption of toluene and n-butanol in human skin in vitro.

Science.gov (United States)

Boman, A; Maibach, H I

2000-03-01

The influence of forced ventilation on the percutaneous absorption of butanol and toluene was studied in vitro. Human skin was exposed to the neat solvents and the solvents in binary mixtures with each other and in ternary mixtures with chloroform:methanol. The exposure was either unventilated or ventilated with various flow rates. At the ventilated exposure the skin absorption of all solvents and solvent mixtures was markedly reduced compared to unventilated exposure. Exposure with solvent mixtures increased the amounts of solvent absorbed as well as absorption rates. The absorption of the butanol component was most influenced. Increase in absorption was 11 to 9 times depending on whether toluene or chloroform/methanol was cosolvent. There was also an interindividual variation of absorption rate, varying with a factor of 3.5 for toluene and 4.3 for n-butanol within the 3 skin donors used. Skin absorption of volatile organic solvents at continuous ventilated conditions is related to their volatility and to the ventilation rate.A sufficient workplace ventilation is an important occupational hygienic measure not only to reduce exposure via respiration but to reduce absorption via the skin of volatile compounds as well.

Synthesis and luminescence properties of YVO4:Eu3+ cobblestone - like microcrystalline phosphors obtained from the mixed solvent - thermal method

International Nuclear Information System (INIS)

Xiao Xiuzhen; Lu Guanzhong; Shen Shaodian; Mao Dongsen; Guo Yun; Wang Yanqin

2011-01-01

The mixed solvent-thermal method has been developed for the synthesis of YVO 4 :Eu 3+ luminescent materials in the N, N-dimethylformamide (DMF)/ de-ionized water (DIW) solution. The samples have been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electronic microscope (TEM), UV/vis absorption and photoluminescence spectroscopies. The results demonstrate that we have obtained the uniform YVO 4 :Eu 3+ cobblestone - like microcrystalline phosphors in the mixed solution of DMF and DIW, which are different to the as-obtained YVO 4 :Eu 3+ nanoparticles in pure DIW. And the as - prepared YVO 4 :Eu 3+ microcrystalline particles are composed of numerous nanoparticles. The assembling phenomenon of the nanoparticles is strongly affected by the pH value of the solution and the volume ratio of DMF/DIW. Under UV excitation, the samples can emit the bright red light. While, the photoluminescence (PL) intensities of YVO 4 :Eu 3+ show some difference for samples obtained under the different reaction conditions. This is because that different microstructures of samples result in different combinative abilities between the surface and the adsorbed species so as to produce the different quenching abilities to the emission from Eu 3+ ions.

Falling film evaporators: organic solvent regeneration in nuclear fuel reprocessing

International Nuclear Information System (INIS)

Garcin, I.

1989-01-01

The aim of this work was to improve knowledge about working of falling film evaporators used in nuclear fuel reprocessing plants for organic solvent regeneration. The first part deals with a non evaporation film. An original film thickness measuring technique was used; infrared thermography. It gave indications on hydrodynamics and wave amplitude and pointed out thermocapillary forces to be the cause of bad wetting of the heated wall. By another way we showed that a small slit spacing on the film distributor, an enhanced surface roughness and an important liquid flow rate favour a better wetting. The second part deals with evaporation of a binary solvent mixture. Experiments in an industrial evaporator corroborated the fact that it is essential for the efficiency of the apparatus to work at high flow rates. We propose an over-simple model which can be used to estimate performances of co-current falling film evaporators of the process [fr

A design and study of the effects of selectivity on binary separation in a four-zone simulated moving bed for systems with linear isotherms

Directory of Open Access Journals (Sweden)

M.A. Cremasco

2003-06-01

Full Text Available The simulated moving bed (SMB is potentially an economical method for the separation and purification of natural products because it is a continuous processes and can achieve higher productivity, higher product recovery, and higher purity than batch chromatographic processes. Despite the advantages of SMB, one of the challenges is to specify its zone flow rates and switching time. In this case it is possible to use the standing wave analysis. In this method, in a binary system, when certain concentration waves are confined to specific zones, high product purity and yield can be assured. Appropriate zone flow rates, zone lengths and step time are chosen to achieve standing waves. In this study the effects of selectivity on yield, throughput, solvent consumption, port switching time, and product purity for a binary system are analyzed. The results show that for a given selectivity the maximum throughput decreases with increasing yield, while solvent consumption and port switching time increase with increasing yield. To achieve the same purity and yield, a system with higher selectivity has a higher throughput and lower solvent consumption.

Optimization of direct solvent lipid extraction kinetics on marine trebouxiophycean alga by central composite design – Bioenergy perspective

International Nuclear Information System (INIS)

Mathimani, Thangavel; Uma, Lakshmanan; Prabaharan, Dharmar

2017-01-01

Highlights: • Direct solvent extraction is an appropriate pretreatment for marine C. vulgaris. • 2:1 chloroform/methanol, 1:5 DCW/solvent, 65 °C and 120 min time are optimal variables. • Favorable R"2, Prob > F, F value and desirability ratio for all models was observed. • Precision and compatibility of the optimized process suit well with Picochlorum sp. • Fuel properties of biodiesel comply ASTM, EN and ISO standards. - Abstract: This present work compares various pretreatment techniques, single/binary solvent system, biomass drying methods and biomass particle sizes to ascertain effective lipid extraction process for marine trebouxiophycean microalga Chlorella vulgaris BDUG 91771. Of the tested methods, homogenization or direct solvent extraction (DSE) pretreatment, chloroform/methanol binary solvent system, and ≤600 µm particle size extracted maximum lipid of 22.1% irrespective of different biomass drying methods. Further, considering low energy consumption and industrial feasibility, optimization of DSE process kinetics was performed by central composite design. According to central composite design, high lipid recovery was attained with 2:1 chloroform/methanol ratio, 1:5 dry cell weight/solvent ratio, 65 °C temperature, 120 min reaction time, and it was highly validated by regression analysis, coefficient determination, F-value, coefficient variation, desirability ratio of the models. It is noteworthy that, the optimized DSE process was compatible with another trebouxiophycean alga Picochlorum sp. BDUG 91281 through biological and technical replicates. In a bioenergy outlook, fuel properties of C. vulgaris BDUG 91771 biodiesel such as degree of unsaturation (69.03), long chain saturation factor (2.49), cold filter plugging point (−9.75 °C), cloud point (8.1 °C), pour point (0.66 °C), saponification value (248.2 mg KOH/g), acid value (0.51 mg KOH/g), ash content (0.019%), insoluble impurities (0.022 g/kg) and viscosity (4.1 cSt) comply ASTM

Binary Linear-Time Erasure Decoding for Non-Binary LDPC codes

OpenAIRE

Savin, Valentin

2009-01-01

In this paper, we first introduce the extended binary representation of non-binary codes, which corresponds to a covering graph of the bipartite graph associated with the non-binary code. Then we show that non-binary codewords correspond to binary codewords of the extended representation that further satisfy some simplex-constraint: that is, bits lying over the same symbol-node of the non-binary graph must form a codeword of a simplex code. Applied to the binary erasure channel, this descript...

Determination and thermodynamic modeling of solid–liquid phase equilibrium for 3,5-dichloroaniline in pure solvents and ternary 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene system

International Nuclear Information System (INIS)

Li, Rongrong; Du, Cunbin; Meng, Long; Han, Shuo; Wang, Jian; Zhao, Hongkun

2016-01-01

Highlights: • Solubility of 3,5-dichloroaniline in seven organic solvents were determined. • Solid–liquid phase equilibrium for ternary system was measured. • The binary and ternary phase diagrams were constructed. • The phase diagrams were correlated with thermodynamic models. - Abstract: The solid–liquid phase equilibrium data for 3,5-dichloroaniline in n-propanol, isopropanol, n-butanol, isobutanol, toluene, ethyl acetate and acetone at (283.15 to 308.15) K were determined experimentally by gas chromatography under 101.3 kPa. The solubility of 3,5-dichloroaniline in these solvents decreased according to the following order: ethyl acetate > (acetone, toluene) for the solvents of ethyl acetate, acetone, and toluene; and for the other solvents, (isopropanol, n-butanol) > n-propanol > isobutanol. According to the solubility of 3,5-dichloroaniline in pure solvents, the solid–liquid phase equilibrium for the ternary mixture of 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene were measured by using an isothermal saturation method at three temperatures of 283.15, 293.15, and 303.15 K under 101.3 kPa, and the corresponding isothermal phase diagrams were constructed. Two pure solids were formed in the ternary system at a fixed temperature, which were pure 3,5-dichloroaniline and pure 1,3,5-trichlorobenzene and were identified by Schreinemakers’ method of wet residue. The temperature dependence of 3,5-dichloroaniline solubility in pure solvents was correlated by the modified Apelblat equation, λh equation, Wilson model and NRTL model; and the ternary solid–liquid phase equilibrium of 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene were described by the Wilson model and NRTL model. Results showed that calculated solubility values with these models agreed well with the experimental ones for the studied binary and ternary systems. The solid–liquid equilibrium and the thermodynamic models for the binary and ternary systems can offer the

Microwave-Assisted Solvent-Free Synthesis of Zeolitic Imidazolate Framework-67

Directory of Open Access Journals (Sweden)

Heng Zhang

2016-01-01

Full Text Available A microporous metal-organic framework (MOF, cobalt-based zeolitic imidazolate framework-67 (ZIF-67, was synthesized by the combination of solvent-free hand-mill and microwave irradiation, without any organic solvent and within 30 minutes. The hand-milling process can mix the reactants well by the virtue of high moisture/water absorption capacity of reactants. In addition, the outstanding electromagnetic wave absorption capability of cobalt leads to efficient conversion to MOF structures before carbonization. The obtained ZIF-67 possesses high surface area and micropore volume.

Investigation of Heavy Organics Precipitation from Nigerian Crude ...

African Journals Online (AJOL)

ADOWIE PERE

ABSTRACT: The effects of mixing two n-alkane solvents on the precipitation of heavy organics in crude oil were carried out. The crude oil sample sourced from a major operative in Nigeria was distilled at 240oC and used for the precipitation experiment. The binary mixture of n-alkane solvents (C6: C10, C6: C16, C10: C14, ...

Binary effectivity rules

DEFF Research Database (Denmark)

Keiding, Hans; Peleg, Bezalel

2006-01-01

is binary if it is rationalized by an acyclic binary relation. The foregoing result motivates our definition of a binary effectivity rule as the effectivity rule of some binary SCR. A binary SCR is regular if it satisfies unanimity, monotonicity, and independence of infeasible alternatives. A binary...

Laboratory simulations of the mixed solvent extraction recovery of dominate polymers in electronic waste.

Science.gov (United States)

Zhao, Yi-Bo; Lv, Xu-Dong; Yang, Wan-Dong; Ni, Hong-Gang

2017-11-01

The recovery of four dominant plastics from electronic waste (e-waste) using mixed solvent extraction was studied. The target plastics included polycarbonate (PC), polystyrene (PS), acrylonitrile butadiene styrene (ABS), and styrene acrylonitrile (SAN). The extraction procedure for multi-polymers at room temperature yielded PC, PS, ABS, and SAN in acceptable recovery rates (64%, 86%, 127%, and 143%, respectively, where recovery rate is defined as the mass ratio of the recovered plastic to the added standard polymer). Fourier transform infrared spectroscopy (FTIR) was used to verify the recovered plastics' purity using a similarity analysis. The similarities ranged from 0.98 to 0.99. Another similar process, which was denoted as an alternative method for plastic recovery, was examined as well. Nonetheless, the FTIR results showed degradation may occur over time. Additionally, the recovery cost estimation model of our method was established. The recovery cost estimation indicated that a certain range of proportion of plastics in e-waste, especially with a higher proportion of PC and PS, can achieve a lower cost than virgin polymer product. It also reduced 99.6%, 30.7% and 75.8% of energy consumptions and CO 2 emissions during the recovery of PC, PS and ABS, and reduced the amount of plastic waste disposal via landfill or incineration and associated environmental impacts. Copyright © 2017 Elsevier Ltd. All rights reserved.

(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

Application of Solvent-In-Pulp Technique for Uranium Extraction from Mineralization Granite

International Nuclear Information System (INIS)

Ali, M.M.; Hussein, A.E.M.; Youseif, W.M.; El Didamony, A.M.

2017-01-01

Investigations on uranium extraction from a representative mineralized granite sample (Gattar granite GII) by solvent-in-pulp (SIP) technique were carried out in the present study. For this purpose, the solvent (tri-butyl amine) (TBA) was mixed with the leaching slurry without prior filtration. The influence of various factors affecting the SIP process, such as contact time, solvent concentration, dilution factor, type of surfactant, surfactant/solid ratio were studied. About 91% uranium extraction efficiency was attained by the application of the chosen extraction SIP conditions. Also, about 96% of the loaded uranium could be stripped by using sulfuric acid as an effective stripping agent

High-pressure viscosity measurements for the ethanol plus toluene binary system

DEFF Research Database (Denmark)

Zeberg-Mikkelsen, Claus Kjær; Baylaucq, A.; Watson, G.

2005-01-01

measured with a classical capillary viscometer (Ubbelohde) with an uncertainty of 1%. A total of 209 experimental measurements have been obtained for this binary system, which reveals a non-monotonic behavior of the viscosity as a function of the composition, with a minimum. The viscosity behavior...... interacting system showing a negative deviation from ideality. The viscosity of this binary system is represented by the Grunberg-Nissan and the Katti-Chaudhri mixing laws with an overall uncertainty of 12% and 8%, respectively. The viscosity of methanol (23 point) has also been measured in order to verify...

CALmsu contactor for solvent extraction with integrated flowrate meters

International Nuclear Information System (INIS)

Siddiqui, I.A.; Shah, B.V.; Theyyunni, T.K.

1994-01-01

Mixer-settlers are widely used as contactors in solvent extraction processes. In the nuclear industry, solvent extraction techniques are used for the separation and purification of a range of materials. A major difficulty is faced in the nuclear industry due to the constraints on the design of the equipment and its operation by the presence of radioactive materials in process solutions. The development of CALmsu contactor was necessitated by the requirements of the operating environment in radiochemical plants. This contactor is a mixer-settler designed to use a CALMIX (combined air lifting and mixing device) static mixer. The CALMIX comprises two air lifts which raise the liquid phases to a highly turbulent mixing zone situated above the lifts. Its principle and construction are simple, and it is compact in size. It is a passive device and needs no maintenance. It has proved to be efficient during extensive testing. The simple and efficient CALmsu contactor internals are specially engineered for use of CALMIX mixer. It has been extensively tested in pilot plant for extraction and stripping of uranium, recovery of uranium from thorium by THOREX process and for treatment of degraded solvents. A model for the design of CALmsu contactors has been evolved and based on this model a software for engineering design of CALMIX and CALmsu contactors of throughput between 50 and 3000 lph has been developed. (author)

Solvent selection methodology for pharmaceutical processes: Solvent swap

DEFF Research Database (Denmark)

Papadakis, Emmanouil; Kumar Tula, Anjan; Gani, Rafiqul

2016-01-01

A method for the selection of appropriate solvents for the solvent swap task in pharmaceutical processes has been developed. This solvent swap method is based on the solvent selection method of Gani et al. (2006) and considers additional selection criteria such as boiling point difference...... in pharmaceutical processes as well as new solvent swap alternatives. The method takes into account process considerations such as batch distillation and crystallization to achieve the swap task. Rigorous model based simulations of the swap operation are performed to evaluate and compare the performance...

Solubility of 3-Caffeoylquinic Acid in Different Solvents at 291-340 K

Science.gov (United States)

Wang, Y. T.; Zhang, C. L.; Cheng, X. L.; Zhao, J. H.; Wang, L. C.

2017-12-01

Using a laser monitoring observation technique the solubilities of 3-caffeoylquinic acid in pure solvents, water, methanol, ethanol, 1-propanol, 1-butanol, and two mixed solvents, methanol + water, ethanol + water have been determined at temperature range from 291-340 K. The experimental data were correlated by the modified Apelblat equation, λ h equation, and ideal model. The calculated solubilities were turned out very consistent with the experimental results, and the modified Apelblat equation shows the best agreement.

Optimization of flavanones extraction by modulating differential solvent densities and centrifuge temperatures.

Science.gov (United States)

Chebrolu, Kranthi K; Jayaprakasha, G K; Jifon, J; Patil, Bhimanagouda S

2011-07-15

Understanding the factors influencing flavonone extraction is critical for the knowledge in sample preparation. The present study was focused on the extraction parameters such as solvent, heat, centrifugal speed, centrifuge temperature, sample to solvent ratio, extraction cycles, sonication time, microwave time and their interactions on sample preparation. Flavanones were analyzed in a high performance liquid chromatography (HPLC) and later identified by liquid chromatography and mass spectrometry (LC-MS). The five flavanones were eluted by a binary mobile phase with 0.03% phosphoric acid and acetonitrile in 20 min and detected at 280 nm, and later identified by mass spectral analysis. Dimethylsulfoxide (DMSO) and dimethyl formamide (DMF) had optimum extraction levels of narirutin, naringin, neohesperidin, didymin and poncirin compared to methanol (MeOH), ethanol (EtOH) and acetonitrile (ACN). Centrifuge temperature had a significant effect on flavanone distribution in the extracts. The DMSO and DMF extracts had homogeneous distribution of flavanones compared to MeOH, EtOH and ACN after centrifugation. Furthermore, ACN showed clear phase separation due to differential densities in the extracts after centrifugation. The number of extraction cycles significantly increased the flavanone levels during extraction. Modulating the sample to solvent ratio increased naringin quantity in the extracts. Current research provides critical information on the role of centrifuge temperature, extraction solvent and their interactions on flavanone distribution in extracts. Published by Elsevier B.V.

Protein Solvent-Accessibility Prediction by a Stacked Deep Bidirectional Recurrent Neural Network

Directory of Open Access Journals (Sweden)

Buzhong Zhang

2018-05-01

Full Text Available Residue solvent accessibility is closely related to the spatial arrangement and packing of residues. Predicting the solvent accessibility of a protein is an important step to understand its structure and function. In this work, we present a deep learning method to predict residue solvent accessibility, which is based on a stacked deep bidirectional recurrent neural network applied to sequence profiles. To capture more long-range sequence information, a merging operator was proposed when bidirectional information from hidden nodes was merged for outputs. Three types of merging operators were used in our improved model, with a long short-term memory network performing as a hidden computing node. The trained database was constructed from 7361 proteins extracted from the PISCES server using a cut-off of 25% sequence identity. Sequence-derived features including position-specific scoring matrix, physical properties, physicochemical characteristics, conservation score and protein coding were used to represent a residue. Using this method, predictive values of continuous relative solvent-accessible area were obtained, and then, these values were transformed into binary states with predefined thresholds. Our experimental results showed that our deep learning method improved prediction quality relative to current methods, with mean absolute error and Pearson’s correlation coefficient values of 8.8% and 74.8%, respectively, on the CB502 dataset and 8.2% and 78%, respectively, on the Manesh215 dataset.

Protein Solvent-Accessibility Prediction by a Stacked Deep Bidirectional Recurrent Neural Network.

Science.gov (United States)

Zhang, Buzhong; Li, Linqing; Lü, Qiang

2018-05-25

Residue solvent accessibility is closely related to the spatial arrangement and packing of residues. Predicting the solvent accessibility of a protein is an important step to understand its structure and function. In this work, we present a deep learning method to predict residue solvent accessibility, which is based on a stacked deep bidirectional recurrent neural network applied to sequence profiles. To capture more long-range sequence information, a merging operator was proposed when bidirectional information from hidden nodes was merged for outputs. Three types of merging operators were used in our improved model, with a long short-term memory network performing as a hidden computing node. The trained database was constructed from 7361 proteins extracted from the PISCES server using a cut-off of 25% sequence identity. Sequence-derived features including position-specific scoring matrix, physical properties, physicochemical characteristics, conservation score and protein coding were used to represent a residue. Using this method, predictive values of continuous relative solvent-accessible area were obtained, and then, these values were transformed into binary states with predefined thresholds. Our experimental results showed that our deep learning method improved prediction quality relative to current methods, with mean absolute error and Pearson's correlation coefficient values of 8.8% and 74.8%, respectively, on the CB502 dataset and 8.2% and 78%, respectively, on the Manesh215 dataset.

Size-controlled fabrication of zein nano/microparticles by modified anti-solvent precipitation with/without sodium caseinate.

Science.gov (United States)

Li, Feng; Chen, Yan; Liu, Shubo; Qi, Jian; Wang, Weiying; Wang, Chenhua; Zhong, Ruiyue; Chen, Zhijun; Li, Xiaoming; Guan, Yuanzhou; Kong, Wei; Zhang, Yong

2017-01-01

Zein-based nano/microparticles have been demonstrated to be promising carrier systems for both the food industry and biomedical applications. However, the fabrication of size-controlled zein particles has been a challenging issue. In this study, a modified anti-solvent precipitation method was developed, and the effects of various factors, such as mixing method, solvent/anti-solvent ratio, temperature, zein concentrations and the presence of sodium caseinate (SC) on properties of zein particles were investigated. Evidence is presented that, among the previously mentioned factors, the mixing method, especially mixing rate, could be used as an effective parameter to control the size of zein particles without changing other parameters. Moreover, through fine-tuning the mixing rate together with zein concentration, particles with sizes ranging from nanometers to micrometers and low polydispersity index values could be easily obtained. Based on the size-controlled fabrication method, SC-coated zein nanoparticles could also be obtained in a size-controlled manner by incubation of the coating material with the already-formed zein particles. The resultant nanoparticles showed better performance in both drug loading and controlled release, compared with zein/SC hybrid nanoparticles fabricated by adding aqueous ethanol solution to SC solution. The possible mechanisms of the nanoprecipitation process and self-assembly formation of these nanoparticles are discussed.

Biodiesel production by direct transesterification of microalgal biomass with co-solvent.

Science.gov (United States)

Zhang, Yan; Li, Ya; Zhang, Xu; Tan, Tianwei

2015-11-01

In this study, a direct transesterification process using 75% ethanol and co-solvent was studied to reduce the energy consumption of lipid extraction process and improve the conversion yield of the microalgae biodiesel. The addition of a certain amount of co-solvent (n-hexane is most preferable) was required for the direct transesterification of microalgae biomass. With the optimal reaction condition of n-hexane to 75% ethanol volume ratio 1:2, mixed solvent dosage 6.0mL, reaction temperature 90°C, reaction time 2.0h and catalyst volume 0.6mL, the direct transesterification process of microalgal biomass resulted in a high conversion yield up to 90.02±0.55wt.%. Copyright © 2015 Elsevier Ltd. All rights reserved.

Apparent Molal Volumes of Sodium Fluoride in Mixed Aqueous-Ethanol Solvents

Directory of Open Access Journals (Sweden)

E. Gomaa

2010-09-01

Full Text Available The densities of different molal concentrations of sodium fluoride at ethanol-water mixtures, as solvent, have been measured over the whole composition range at three different temperatures, 293.15, 303.15 and 313.15oK. From the measured densities, the apparent and limiting molal volumes of the electrolytes have been evaluated. The limiting molal volumes for sodium and fluoride ions were estimated by splitting the ionic contributions as an asymmetric assumption.

Thermodynamic method for obtaining the solubilities of complex medium-sized chemicals in pure and mixed solvents

DEFF Research Database (Denmark)

Abildskov, Jens; O'Connell, J.P.

2005-01-01

This paper extends our previous simplified approach to using group contribution methods and limited data to determine differences in solubility of sparingly soluble complex chemicals as the solvent is changed. New applications include estimating temperature dependence and the effect of adding cos....... Though we present no new solution theory, the paper shows an especially efficient use of thermodynamic models for solvent and cosolvent selection for product formulations. Examples and discussion of applications are given. (c) 2004 Elsevier B.V. All rights reserved.......This paper extends our previous simplified approach to using group contribution methods and limited data to determine differences in solubility of sparingly soluble complex chemicals as the solvent is changed. New applications include estimating temperature dependence and the effect of adding...

Radiation-induced segregation in binary and ternary alloys

International Nuclear Information System (INIS)

Okamoto, P.R.; Rehn, L.E.

1979-01-01

A review is given of our current knowledge of radiation-induced segregation of major and minor elements in simple binary and ternary alloys as derived from experimental techniques such as Auger electron spectroscopy, secondary-ion mass spectroscopy, ion-backscattering, infrared emissivity measurements and transmission electron microscopy. Measurements of the temperature, dose and dose-rate dependences as well as of the effects of such materials variables as solute solubility, solute misfit and initial solute concentration has proved particularly valuable in understanding the mechanisms of segregation. The interpretation of these data in terms of current theoretical models which link solute segregation behavior to defect-solute binding interactions and/or to the relative diffusion rates of solute and solvent atoms the interstitial and vacancy migration mechanisms has, in general, been fairly successful and has provided considerable insight into the highly interrelated phenomena of solute-defect trapping, solute segregation, phase stability and void swelling. Specific examples in selected fcc, bcc and hcp alloy systems are discussed with particular emphasis given to the effects of radiation-induced segregation on the phase stability of single-phase and two-phase binary alloys and simple Fe-Cr-Ni alloys. (Auth.)

The crystallization of a solid solution in a solvent and the stability of a growth interface

International Nuclear Information System (INIS)

Malmejac, Yves

1971-03-01

The potential uses of germanium-silicon alloys as thermoelectric generators in hitherto unexploited temperature ranges initiated the present study. Many delicate problems are encountered in the classical methods of preparation. An original technique was sought for crystallization in a metallic solvent. The thermodynamic equilibria between the various phases of the ternary System used were studied in order to justify the method used. The conditions (temperature and composition) were determined in which the cooling of a ternary liquid mixture induces the precipitation of a binary solid solution with the desired composition. If large crystals are to be obtained from the solid solution, metallic solvent precipitation must be replaced by a mono-directional solvent crystallization. The combined effect of a certain number of simple physical phenomena on the stability of a crystal liquid interface was studied: the morphological stability of the crystal growth interface is the first step towards obtaining perfect crystals. (author) [fr

Solvent extraction

Energy Technology Data Exchange (ETDEWEB)

Coombs, D.M.; Latimer, E.G.

1988-01-05

It is an object of this invention to provide for the demetallization and general upgrading of heavy oil via a solvent extracton process, and to improve the efficiency of solvent extraction operations. The yield and demetallization of product oil form heavy high-metal content oil is maximized by solvent extractions which employ either or all of the following techniques: premixing of a minor amount of the solvent with feed and using countercurrent flow for the remaining solvent; use of certain solvent/free ratios; use of segmental baffle tray extraction column internals and the proper extraction column residence time. The solvent premix/countercurrent flow feature of the invention substantially improves extractions where temperatures and pressures above the critical point of the solvent are used. By using this technique, a greater yield of extract oil can be obtained at the same metals content or a lower metals-containing extract oil product can be obtained at the same yield. Furthermore, the premixing of part of the solvent with the feed before countercurrent extraction gives high extract oil yields and high quality demetallization. The solvent/feed ratio features of the invention substanially lower the captial and operating costs for such processes while not suffering a loss in selectivity for metals rejection. The column internals and rsidence time features of the invention further improve the extractor metals rejection at a constant yield or allow for an increase in extract oil yield at a constant extract oil metals content. 13 figs., 3 tabs.

Multilevel Cross-Dependent Binary Longitudinal Data

KAUST Repository

Serban, Nicoleta

2013-10-16

We provide insights into new methodology for the analysis of multilevel binary data observed longitudinally, when the repeated longitudinal measurements are correlated. The proposed model is logistic functional regression conditioned on three latent processes describing the within- and between-variability, and describing the cross-dependence of the repeated longitudinal measurements. We estimate the model components without employing mixed-effects modeling but assuming an approximation to the logistic link function. The primary objectives of this article are to highlight the challenges in the estimation of the model components, to compare two approximations to the logistic regression function, linear and exponential, and to discuss their advantages and limitations. The linear approximation is computationally efficient whereas the exponential approximation applies for rare events functional data. Our methods are inspired by and applied to a scientific experiment on spectral backscatter from long range infrared light detection and ranging (LIDAR) data. The models are general and relevant to many new binary functional data sets, with or without dependence between repeated functional measurements.

Influences of surface and solvent on retention of HEMA/mixture components after evaporation.

Science.gov (United States)

Garcia, Fernanda C P; Wang, Linda; Pereira, Lúcia C G; de Andrade e Silva, Safira M; Júnior, Luiz M; Carrilho, Marcela Rocha de Oliveira

2010-01-01

This study examined the retention of solvents within experimental HEMA/solvent primers after two conditions for solvent evaporation: from a free surface or from dentine surface. Experimental primers were prepared by mixing 35% HEMA with 65% water, methanol, ethanol or acetone (v/v). Aliquots of each primer (50 microl) were placed on glass wells or they were applied to the surface of acid-etched dentine cubes (2mm x 2mm x 2mm) (n=5). For both conditions (i.e. from free surface or dentine cubes), change in primers mass due to solvent evaporation was gravimetrically measured for 10min at 51% RH and 21 degrees C. The rate of solvent evaporation was calculated as a function of loss of primers mass (%) over time. Data were analysed by two-way ANOVA and Student-Newman-Keuls (pevaporation rate (%/min) depending on the solvent present in the primer and the condition for evaporation (from free surface or dentine cubes) (pevaporation for HEMA/acetone primer was almost 2- to 10-times higher than for HEMA/water primer depending whether evaporation occurred, respectively, from a free surface or dentine cubes. The rate of solvent evaporation varied with time, being in general highest at the earliest periods. The rate of solvent evaporation and its retention into HEMA/solvent primers was influenced by the type of the solvent and condition allowed for their evaporation.

Solvent-free ZnO dye-sensitised solar cells

Energy Technology Data Exchange (ETDEWEB)

Guillen, E.; Anta, J.A. [Departamento de Sistemas Fisicos, Quimicos y Naturales, Universidad Pablo de Olavide, 41013 Sevilla (Spain); Fernandez-Lorenzo, C.; Alcantara, R.; Martin-Calleja, J. [Departamento de Quimica Fisica, Universidad de Cadiz, Cadiz (Spain)

2009-10-15

Dye-sensitised solar cells (DSSC) based on commercial nanostructured zinc oxide combined with imidazolium-based room temperature ionic-liquid electrolytes are characterized. The electrolytes are based on a binary mixture of two ionic liquids, one of them used as source of iodide ions. The composition of this solvent-free electrolyte is optimized with respect to the concentration of iodine and iodide and the effect of additives such as lithium and tert-butylpyridine (TBP) on the photovoltaic performance and the recombination rate is analyzed and discussed. A maximum photoconversion efficiency of 3.4% at 1 sun illumination has been obtained for cells of 0.64 cm{sup 2} active area with the best performing compositions. Diffusion limitations due to slow transport processes are analyzed and discussed. (author)

Modeling vapor pressures of solvent systems with and without a salt effect: An extension of the LSER approach

International Nuclear Information System (INIS)

Senol, Aynur

2015-01-01

Highlights: • A new polynomial vapor pressure approach for pure solvents is presented. • Solvation models reproduce the vapor pressure data within a 4% mean error. • A concentration-basis vapor pressure model is also implemented on relevant systems. • The reliability of existing models was analyzed using log-ratio objective function. - Abstract: A new polynomial vapor pressure approach for pure solvents is presented. The model is incorporated into the LSER (linear solvation energy relation) based solvation model framework and checked for consistency in reproducing experimental vapor pressures of salt-containing solvent systems. The developed two structural forms of the generalized solvation model (Senol, 2013) provide a relatively accurate description of the salting effect on vapor pressure of (solvent + salt) systems. The equilibrium data spanning vapor pressures of eighteen (solvent + salt) and three (solvent (1) + solvent (2) + salt) systems have been subjected to establish the basis for the model reliability analysis using a log-ratio objective function. The examined vapor pressure relations reproduce the observed performance relatively accurately, yielding the overall design factors of 1.084, 1.091 and 1.052 for the integrated property-basis solvation model (USMIP), reduced property-basis solvation model and concentration-dependent model, respectively. Both the integrated property-basis and reduced property-basis solvation models were able to simulate satisfactorily the vapor pressure data of a binary solvent mixture involving a salt, yielding an overall mean error of 5.2%

Solvent effect on 14 N NMR shielding of glycine, serine, leucine, and ...

African Journals Online (AJOL)

The polarizable continuum model (PCM) is employed to describe the system in the ... order nonlinear mixed electric and magnetic effects in condensed phase are ... of the solvent reaction field rather than on the change of molecular geometry ...

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

International Nuclear Information System (INIS)

Miecznik, Piotr; Kaczmarek, Milena

2006-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2006-11-15

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

On ternary species mixing and combustion in isotropic turbulence at high pressure

Science.gov (United States)

Lou, Hong; Miller, Richard S.

2004-05-01

Effects of Soret and Dufour cross-diffusion, whereby both concentration and thermal diffusion occur in the presence of mass fraction, temperature, and pressure gradients, are investigated in the context of both binary and ternary species mixing and combustion in isotropic turbulence at large pressure. The compressible flow formulation is based on a cubic real-gas state equation, and includes generalized forms for heat and mass diffusion derived from nonequilibrium thermodynamics and fluctuation theory. A previously derived formulation of the generalized binary species heat and mass fluxes is first extended to the case of ternary species, and appropriate treatment of the thermal and mass diffusion factors is described. Direct numerical simulations (DNS) are then conducted for both binary and ternary species mixing and combustion in stationary isotropic turbulence. Mean flow temperatures and pressures of =700 K and =45 atm are considered to ensure that all species mixtures remain in the supercritical state such that phase changes do not occur. DNS of ternary species systems undergoing both pure mixing and a simple chemical reaction of the form O2+N2→2NO are then conducted. It is shown that stationary scalar states previously observed for binary mixing persist for the ternary species problem as well; however, the production and magnitude of the scalar variance is found to be altered for the intermediate molecular weight species as compared to the binary species case. The intermediate molecular weight species produces a substantially smaller scalar variance than the remaining species for all flows considered. For combustion of nonstoichiometric mixtures, a binary species mixture, characterized by stationary scalar states, results at long times after the lean reactant is depleted. The form of this final scalar distribution is observed to be similar to that found in the binary flow situation. A series of lower resolution simulations for a variety of species is then

Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory

Energy Technology Data Exchange (ETDEWEB)

Dudowicz, Jacek, E-mail: dudowicz@jfi.uchicago.edu; Freed, Karl F. [The James Franck Institute and the Department of Chemistry, The University of Chicago, Chicago, Illinois 60637 (United States); Douglas, Jack F. [Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)

2015-10-07

Standard Flory-Huggins (FH) theory is utilized to describe the enigmatic cosolvency and cononsolvency phenomena for systems of polymers dissolved in mixed solvents. In particular, phase boundaries (specifically upper critical solution temperature spinodals) are calculated for solutions of homopolymers B in pure solvents and in binary mixtures of small molecule liquids A and C. The miscibility (or immiscibility) patterns for the ternary systems are classified in terms of the FH binary interaction parameters (χ{sub αβ}) and the ratio r = ϕ{sub A}/ϕ{sub C} of the concentrations ϕ{sub A} and ϕ{sub C} of the two solvents. The trends in miscibility are compared to those observed for blends of random copolymers (A{sub x}C{sub 1−x}) with homopolymers (B) and to those deduced for A/B/C solutions of polymers B in liquid mixtures of small molecules A and C that associate into polymeric clusters (A{sub p}C{sub q}){sub i}, (i = 1, 2, …, ∞). Although the classic FH theory is able to explain cosolvency and cononsolvency phenomena, the theory does not include a consideration of the mutual association of the solvent molecules and the competitive association between the solvent molecules and the polymer. These interactions can be incorporated in refinements of the FH theory, and the present paper provides a foundation for such extensions for modeling the rich thermodynamics of polymers in mixed solvents.

CALmsu contactor for solvent extraction with integrated flowrate meters

Energy Technology Data Exchange (ETDEWEB)

Siddiqui, I A; Shah, B V; Theyyunni, T K [Process Engineering and Systems Development Division, Bhabha Atomic Research Centre, Mumbai (India)

1994-06-01

Mixer-settlers are widely used as contactors in solvent extraction processes. In the nuclear industry, solvent extraction techniques are used for the separation and purification of a range of materials. A major difficulty is faced in the nuclear industry due to the constraints on the design of the equipment and its operation by the presence of radioactive materials in process solutions. The development of CALmsu contactor was necessitated by the requirements of the operating environment in radiochemical plants. This contactor is a mixer-settler designed to use a CALMIX (combined air lifting and mixing device) static mixer. The CALMIX comprises two air lifts which raise the liquid phases to a highly turbulent mixing zone situated above the lifts. Its principle and construction are simple, and it is compact in size. It is a passive device and needs no maintenance. It has proved to be efficient during extensive testing. The simple and efficient CALmsu contactor internals are specially engineered for use of CALMIX mixer. It has been extensively tested in pilot plant for extraction and stripping of uranium, recovery of uranium from thorium by THOREX process and for treatment of degraded solvents. A model for the design of CALmsu contactors has been evolved and based on this model a software for engineering design of CALMIX and CALmsu contactors of throughput between 50 and 3000 lph has been developed. (author). 8 refs., 1 fig.

Supercapacitor Electrolyte Solvents with Liquid Range Below -80 C

Science.gov (United States)

Brandon, Erik; Smart, Marshall; West, William

2010-01-01

A previous NASA Tech Brief ["Low-Temperature Supercapacitors" (NPO-44386) NASA Tech Briefs, Vol. 32, No 7 (July 2008), page 32] detailed ongoing efforts to develop non-aqueous supercapacitor electrolytes capable of supporting operation at temperatures below commercially available cells (which are typically limited to charging and discharging at > or equal to -40 C). These electrolyte systems may enable energy storage and power delivery for systems operating in extreme environments, such as those encountered in the Polar regions on Earth or in the exploration of space. Supercapacitors using these electrolytes may also offer improved power delivery performance at moderately low temperatures (e.g. -40 to 0 C) relative to currently available cells, offering improved cold-cranking and cold-weather acceleration capabilities for electrical or hybrid vehicles. Supercapacitors store charge at the electrochemical double-layer, formed at the interface between a high surface area electrode material and a liquid electrolyte. The current approach to extending the low-temperature limit of the electrolyte focuses on using binary solvent systems comprising a high-dielectric-constant component (such as acetonitrile) in conjunction with a low-melting-point co-solvent (such as organic formates, esters, and ethers) to depress the freezing point of the system, while maintaining sufficient solubility of the salt. Recent efforts in this area have led to the identification of an electrolyte solvent formulation with a freezing point of -85.7 C, which is achieved by using a 1:1 by volume ratio of acetonitrile to 1,3-dioxolane

New RO TFC Membranes by Interfacial Polymerization in n-Dodecane with Various co-Solvents.

Science.gov (United States)

Al-Hobaib, Abdullah Sulaiman; Al-Suhybani, Mohammed Sulaiman; Al-Sheetan, Khalid Mohammed; Mousa, Hasan; Shaik, Mohammed Rafi

2016-04-29

The objective of this research is to prepare and characterize a new and highly efficient polyamide TFC RO membrane by interfacial polymerization in dodecane solvent mixed with co-solvents. Three co-solvents were tested namely; acetone, ethyl acetate, and diethyl ether of concentration of 0.5, 1, 2, 3, and 5 wt %. The modified membranes were characterized by SEM, EDX, AFM and contact angle techniques. The results showed that addition of co-solvent results in a decrease in the roughness, pore size and thickness of the produced membranes. However, as the concentration of the co-solvent increases the pore size of the membranes gets larger. Among the three co-solvents tested, acetone was found to result in membranes with the largest pore size and contact angle followed by diethyl ether then ethyl acetate. Measured contact angle increases as the concentration of the co-solvent increases reaching a constant value except for ethyl acetate where it was found to drop. Investigating flux and salt rejection by the formulated membranes showed that higher flux was attained when acetone was used as a co-solvent followed by diethyl ether then ethyl acetate. However, the highest salt rejection was achieved with diethyl ether.

The effect of solvent component on the discharge performance of Lithium-sulfur cell containing various organic electrolytes

International Nuclear Information System (INIS)

Kim, Seok; Jung, Yongju; Lim, Hong S.

2004-01-01

The effect of solvent component on the discharge performance of lithium-sulfur (Li/S) cell and the optimal composition of ternary electrolyte for the improved discharge performance of the cell have been investigated. The capacity value and capacity stability with cycle are dependent on the nature of solvent as well as the composition of mixed solvent. The change trend of discharge performance as a function of content of each solvent component is studied. Capacity value increases as the 1,3-dioxolane (DOX) content decreases. Average discharge voltage shows larger value when the 1,2-dimethoxy ethane (DME) content is small. Finally, we have obtained the optimal solvent composition by using a statistical method

Canyon solvent cleaning

International Nuclear Information System (INIS)

Reif, D.J.

1986-01-01

The HM Process at the Savannah River Plant (SRP) uses 7.5% tributylphosphate in n-paraffin as an extraction solvent. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, produce decontamination, and separation efficiencies. Laboratory studies to improve online solvent cleaning have shown the carbonate washing, although removing residual solvent activity does not remove binding ligands that hold fission products in the solvent. Treatment of solvent by an alumina adsorption process removes binding ligands and significantly improves recycle solvent performance. Both laboratory work defining a full-scale alumina adsorption process and the use of the process to clean HM Process first cycle solvent are presented

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.

Study on complex formation of dicyclohexyl-18-crown-6 with Mg2+, Ca2+ and Sr2+ in acetonitrile-water binary mixtures by conductometry

OpenAIRE

Mallika Sanyal

2017-01-01

The complexation reactions between Mg2+, Ca2+ and Sr2+ cations and dicyclohexyl-18-crown-6 (DCH 18C6) have been studied in acetonitrile–water binary mixtures at different temperatures by conductometry. The formation constants of the resulting 1:1 (M:L) complexes for all the three cations were determined from computer fitting of the molar conductance versus mole ratio data. The results show that the selectivity order of DCH 18C6 for the metal cations in the acetonitrile-water binary solvent at...

Prednisolone multicomponent nanoparticle preparation by aerosol solvent extraction system.

Science.gov (United States)

Moribe, Kunikazu; Fukino, Mika; Tozuka, Yuichi; Higashi, Kenjirou; Yamamoto, Keiji

2009-10-01

Prednisolone nanoparticles were prepared in the presence of a hydrophilic polymer and a surfactant by the aerosol solvent extraction system (ASES). A ternary mixture of prednisolone, polyethylene glycol (PEG), and sodium dodecyl sulfate (SDS) dissolved in methanol was sprayed through a nozzle into the reaction vessel filled with supercritical carbon dioxide. After the ASES process was repeated, precipitates of the ternary components were obtained by depressurizing the reaction vessel. When a methanolic solution of prednisolone/PEG 4000/SDS at a weight ratio of 1:6:2 was sprayed under the optimized ASES conditions, the mean particle size of prednisolone obtained after dispersing the precipitates in water was observed to be ca. 230 nm. Prednisolone nanoparticles were not obtained by the binary ASES process for prednisolone, in the presence of either PEG or SDS. Furthermore, ternary cryogenic cogrinding, as well as solvent evaporation, was not effective for the preparation of prednisolone nanoparticles. As the ASES process can be conducted under moderate temperature conditions, the ASES process that was applied to the ternary system appeared to be one of the most promising methods for the preparation of drug nanoparticles using the multicomponent system.

Surface functionalization of SBA-15 by the solvent-free method

International Nuclear Information System (INIS)

Wang Yimeng; Zheng Yingwu; Zhu Jianhua

2004-01-01

A solvent-free technique was employed for fast modification of mesoporous materials. Copper, chromium and iron oxide species could be highly dispersed in SBA-15 by manually grinding the corresponding precursor salts and the host, followed by calcinations for the first time. This method is more effective to spontaneously disperse oxide species onto SBA-15 than impregnation, probably forming monolayer or submonolayer dispersion of salts or oxides. Besides, Cr(VI) species dominate in the mixing sample while Cr(III) species dominate in the impregnation one. In the temperature programmed surface reaction of nitrosamines, the sample prepared by solvent-free method showed a higher catalytic activity than the impregnation one

Phase Behavior of Mixtures of Ionic Liquids and Organic Solvents

DEFF Research Database (Denmark)

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

2010-01-01

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

Binary and ternary (liquid + liquid) equilibrium for {methylcyclohexane (1) + toluene (2) + 1-hexyl-3-methylimidazolium tetracyanoborate (3)/1-butyl-3-methylimidazolium tetracyanoborate (3)}

International Nuclear Information System (INIS)

Gutierrez, Juan Pablo; Meindersma, Wytze; Haan, Andre B. de

2011-01-01

Highlights: → Binary and ternary extractions for two ionic liquids with organic compounds were measured. → NRTL and UNIQUAC thermodynamic models were used to fit the experimental data. → UNIQUAC model gives better predictions than the NRTL model. → Ionic liquids showed interesting properties as solvents to be applied in separation processes. - Abstract: This paper focuses on the study of the solubility behaviour of 1-hexyl-3-methylimidazolium tetracyanoborate [HMIM][TCB] and 1-butyl-3-methylimidazolium tetracyanoborate [BMIM][TCB] in combination with methylcyclohexane and toluene as representatives for non-aromatic and aromatic components. Binary and ternary (liquid + liquid) equilibrium data were collected at three different temperatures and at atmospheric pressure (0.1 MPa). The experimental data were well-correlated with the NRTL and UNIQUAC thermodynamic models; however, the UNIQUAC model gave better predictions than the NRTL, with a root mean square error below 0.97%. The non-aromatic/aromatic selectivities of the ionic liquids make them suitable solvents to be used in extractive distillation processes.

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

Thermodynamic Modeling of Several Aqueous Alkanol Solutions Containing Amino Acids with the Perturbed-Chain Statistical Associated Fluid Theory Equation of State

DEFF Research Database (Denmark)

Ferreira, Luisa; Breil, Martin Peter; Pinho, S. P.

2009-01-01

parameters for the amino acids were fitted to the densities, activity and osmotic coefficients, vapor pressures, and water activity of their aqueous solutions. The solubilities of amino acids in pure and mixed solvent systems were calculated on the basis of the phase equilibrium conditions for a pure solid...... and a fluid phase. The hypothetical melting properties of each amino acid were fitted, to accurately correlate the solubilities in pure water. Only one temperature independent binary parameter is required for each amino acid/solvent pair. The model can accurately describe the solubility of the amino acids...... in water, but the correlation for the solubility in pure alcohols was not so satisfactory. The solubility in mixed solvents (ternary systems) was predicted on the basis of the modeling of the solubility in pure solvents, without any additional fitting of the parameters, and the results achieved were...

Mn(II)-coordinated Fluorescent Carbon Dots: Preparation and Discrimination of Organic Solvents

Science.gov (United States)

Wang, Yuru; Wang, Tianren; Chen, Xi; Xu, Yang; Li, Huanrong

2018-04-01

Herein, we prepared a Mn(II)-coordinated carbon dots (CDs) with fluorescence and MRI (magnetic resonance imaging) bimodal properties by a one-pot solvothermal method and separated via silica column chromatography. The quantum yield of the CDs increased greatly from 2.27% to 6.75% with increase of Mn(II) doping, meanwhile the CDs exhibited a higher MR activity (7.28 mM-1s-1) than that of commercial Gd-DTPA (4.63 mM-1s-1). In addition, white light emitting CDs were obtained by mixing the different types of CDs. Notably, these CDs exhibited different fluorescence emissions in different organic solvents and could be used to discriminate organic solvents based on the polarity and protonation of the solvents.

Solvent-dependent fluorescence enhancement and piezochromism of a carbazole-substituted naphthopyran

Energy Technology Data Exchange (ETDEWEB)

Liu, Lihui; Wang, Aixia [Faculty of Chemistry, Northeast Normal University, Changchun 130024 (China); Wang, Guang, E-mail: wangg923@nenu.edu.cn [Faculty of Chemistry, Northeast Normal University, Changchun 130024 (China); Munyentwari, Alexis [Faculty of Chemistry, Northeast Normal University, Changchun 130024 (China); Zhou, Yihan, E-mail: yhzhou@ciac.ac.cn [National Analytical Research Center of Electrochemistry and Spectroscopy, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2015-09-15

A novel carbazole-substituted naphthopyran, 3,3-bis-(4-carbazolylphenyl)-[3H]-naphtho[2,1-b]pyran (CzNP) was designed and synthesized. The new compound exhibited normal photochromism in dichloromethane solution and the UV irradiation did not influence its fluorescence. On the contrary, the fluorescence of CzNP in N,N-dimethylformamide (DMF) was intensively enhanced to 29 times after 60 min of the UV irradiation and this enhanced fluorescence can be quenched by addition of triethylamine (TEA). The study of enhanced extent of fluorescence of CzNP in solvents with different polarities and in mixed solvents demonstrated that the enhanced fluorescence is dependent on the polarity of solvents. The larger the polarity of solvent was, the stronger was the fluorescence of CzNP. CzNP also exhibited piezochromic performance and the pressure led to the cleavage of the C–O bond of pyran ring. - Highlights: • A carbazole-substituted photochromic naphthopyran was designed and synthesized. • The fluorescence was enhanced under the existence of DMF and UV irradiation. • The polarity of solvent was the dominating factor to affect the fluorescence. • The new compound also displayed piezochromic performance.

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

International Nuclear Information System (INIS)

Reif, D.J.

1987-02-01

The HM process at the Savannah River Plant uses 7.5% tributyl phosphate in n-paraffin as an extraction solvent. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials which influence product losses, product decontamination, and separation efficiencies. Laboratory studies to improve online solvent cleaning have shown that carbonate washing, although removing residual solvent activity, does not remove binding ligands which hold fission products in the solvent. Treatment of solvent by an alumina adsorption process removes binding ligands and significantly improves recycle solvent performance. Both laboratory work defining a full-scale alumina adsorption process and the use of the process to clean HM process first cycle solvent is discussed

Effect of hydrothermal treatment on the extraction of coal in the CS{sub 2}/NMP mixed solvent

Energy Technology Data Exchange (ETDEWEB)

Hengfu Shui; Zhicai Wang; Gaoqiang Wang [Anhui University of Technology, Maanshan (China). School of Chemistry and Chemical Engineering

2006-09-15

The extraction of four Chinese different rank bituminous coals with the carbon disulfide/N-2-pyrrolidinone (CS2/NMP) mixed solvent (1:1 by volume) was carried out in room temperature. It was found that one of middle bituminous raw coal of the four coals gave more than 74% (daf) extraction yield, suggesting an associative structural model for the coal. The four coals were hydrothermal treated under different conditions, and it was found that the extraction yields of the treated coals obviously increased. This will have great significance for coal liquefaction. FTIR measurements show the removal of minerals after the hydrothermal treatment of coals suggesting the dissociation of the coal aggregation structure due to ionic interactions and/or hydrogen bonds broken because of the removal of oxygen and hydroxyl oxygen proceeded through ionic pathways, resulting in the extraction yields of the treated coals increase. However, breaking of {pi}-cation interactions by hydrothermal treatment may be one of possible mechanisms for the enhancement of extraction yield of higher rank of treated coal. The mechanism of hydrothermal treatment of coal was discussed in the paper. 28 refs., 4 figs., 4 tabs.

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.

Guidance for the utility of linear models in meta-analysis of genetic association studies of binary phenotypes.

Science.gov (United States)

Cook, James P; Mahajan, Anubha; Morris, Andrew P

2017-02-01

Linear mixed models are increasingly used for the analysis of genome-wide association studies (GWAS) of binary phenotypes because they can efficiently and robustly account for population stratification and relatedness through inclusion of random effects for a genetic relationship matrix. However, the utility of linear (mixed) models in the context of meta-analysis of GWAS of binary phenotypes has not been previously explored. In this investigation, we present simulations to compare the performance of linear and logistic regression models under alternative weighting schemes in a fixed-effects meta-analysis framework, considering designs that incorporate variable case-control imbalance, confounding factors and population stratification. Our results demonstrate that linear models can be used for meta-analysis of GWAS of binary phenotypes, without loss of power, even in the presence of extreme case-control imbalance, provided that one of the following schemes is used: (i) effective sample size weighting of Z-scores or (ii) inverse-variance weighting of allelic effect sizes after conversion onto the log-odds scale. Our conclusions thus provide essential recommendations for the development of robust protocols for meta-analysis of binary phenotypes with linear models.

Preferential solvation of single ions in mixed solvents: Part 1. New experimental approach and solvation of monovalent ions in methanol-water and acetonitrile-water mixture. Part 2. Theoretical computation and comparison with experimental data

International Nuclear Information System (INIS)

Rege, Aarti C.; Venkataramani, B.; Gupta, A.R.

1999-06-01

Preferential solvation of single ion solutions has been studied with Li + , Na + , K + and Ag +- forms of Dowex 50W resins of different cross-linkings in methanol-water and acetonitrile (AN)- water mixtures. The solvent uptake by this alkali metal ionic forms of Dowex 50W resins was studied in an isopiestic set-up using 2,4,6 and 8 m LiCl solutions in 11.0, 20.8, 44.3 and 70.2 % (w/w) methanol-water mixtures and that of Na +- and Ag +- forms using 14.6 to 94.3 % (w/w) AN - water mixtures. The solvent sorbed in the resin phase was extracted by Rayleigh-type distillation and analysed gas chromatographically. The data were analysed by the N s (mole fraction of the organic solvent in the resin phase) vs n t au (total solvent content in the resin phase) plots and separation factor, alpha(ratio of mole fraction of the solvents in the resin and solution phases) or N s vs m (molality in the resin phase) plots. The limiting values of these plots gave the composition of the solvent in the primary solvation shell around the single ion. The compositions of the primary solvation shell around Li + , Na + , and K + in methanol-water mixtures and Na + and Ag + in acetonitrile (AN) - water mixtures have been computed using Franks equation and the approach of Marcus and compared with the experimental results obtained with the above mentioned ionic forms of Dowex 50W resins in different mixed solvents. The experimental results for Li + showed good agreement with the values computed using Franks equation for all methanol-water composition. However, in the case of Na + and K + in methanol-water mixtures and Na + in AN-water mixtures, there was agreement only at lower organic solvent content and the Franks equation predicted higher values for the organic solvent in the primary solvation shell around the cation at higher organic solvent content as compared to experimental results

Asymptotic Limits for Transport in Binary Stochastic Mixtures

Energy Technology Data Exchange (ETDEWEB)

Prinja, A. K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-05-01

The Karhunen-Loeve stochastic spectral expansion of a random binary mixture of immiscible fluids in planar geometry is used to explore asymptotic limits of radiation transport in such mixtures. Under appropriate scalings of mixing parameters - correlation length, volume fraction, and material cross sections - and employing multiple- scale expansion of the angular flux, previously established atomic mix and diffusion limits are reproduced. When applied to highly contrasting material properties in the small cor- relation length limit, the methodology yields a nonstandard reflective medium transport equation that merits further investigation. Finally, a hybrid closure is proposed that produces both small and large correlation length limits of the closure condition for the material averaged equations.

Ultrasonic and viscometric studies of yttrium soaps in mixed organic solvents

International Nuclear Information System (INIS)

Mehrotra, K.N.; Tandon, K.; Rawat, M.K.

1992-01-01

The ultrasonic and viscosity measurements of yttrium soaps (caprylate, caprate and laurate) in a mixture of benzene and dimethyl formamide (3:2) have been carried out with a view to determine the critical micellar concentration soap-solvent interaction and other allied parameters. The various acoustic parameters (intermolecular free-length adiabatic compressibility, apparent molar compressibility, specific acoustic impedance, molar sound velocity, solvation number available volume and relative association) have been evaluated by ultrasonic velocity measurements. The results of viscosity measurement have been explained in terms of well known equations. (author). 18 refs., 2 figs., 3 tabs

A template bank to search for gravitational waves from inspiralling compact binaries: I. Physical models

International Nuclear Information System (INIS)

Babak, S; Balasubramanian, R; Churches, D; Cokelaer, T; Sathyaprakash, B S

2006-01-01

Gravitational waves from coalescing compact binaries are searched for using the matched filtering technique. As the model waveform depends on a number of parameters, it is necessary to filter the data through a template bank covering the astrophysically interesting region of the parameter space. The choice of templates is defined by the maximum allowed drop in signal-to-noise ratio due to the discreteness of the template bank. In this paper we describe the template-bank algorithm that was used in the analysis of data from the Laser Interferometer Gravitational Wave Observatory (LIGO) and GEO 600 detectors to search for signals from binaries consisting of non-spinning compact objects. Using Monte Carlo simulations, we study the efficiency of the bank and show that its performance is satisfactory for the design sensitivity curves of ground-based interferometric gravitational wave detectors GEO 600, initial LIGO, advanced LIGO and Virgo. The bank is efficient in searching for various compact binaries such as binary primordial black holes, binary neutron stars, binary black holes, as well as a mixed binary consisting of a non-spinning black hole and a neutron star

Influence of the composition of aqueous dimethylsulfoxide solvent on thermodynamics of complexing between 18-crown-6-ether and D,L-alanine

Science.gov (United States)

Usacheva, T. R.; Kuzmina, I. A.; Sharnin, V. A.; Chernov, I. V.; Matteoli, E.

2012-07-01

Standard thermodynamic parameters (log K o, Δr H o, TΔr S o) of complexing 18-crown-6 ether (18C6) with D,L-alanine (Ala) in mixed water-dimethysulfoxide (H2O-DMSO) solvents are calculated on the basis of calorimetric titration results. A rise in the DMSO concentration in mixed solvent is found to increase stability and increase the exothermicity of the formation of [Ala-18C6] molecular complex. Changes in the reaction energetic are shown to be determined by changes in the solvation state of 18C6 that is the characteristic of the reactions of molecular complex formation between 18C6 and D,L-alanine or glycine in water-organic solvents.

Global symplectic structure-preserving integrators for spinning compact binaries

Science.gov (United States)

Zhong, Shuang-Ying; Wu, Xin; Liu, San-Qiu; Deng, Xin-Fa

2010-12-01

This paper deals mainly with the application of the second-order symplectic implicit midpoint rule and its symmetric compositions to a post-Newtonian Hamiltonian formulation with canonical spin variables in relativistic compact binaries. The midpoint rule, as a basic algorithm, is directly used to integrate the completely canonical Hamiltonian system. On the other hand, there are symmetric composite methods based on a splitting of the Hamiltonian into two parts: the Newtonian part associated with a Kepler motion, and a perturbation part involving the orbital post-Newtonian and spin contributions, where the Kepler flow has an analytic solution and the perturbation can be calculated by the midpoint rule. An example is the second-order mixed leapfrog symplectic integrator with one stage integration of the perturbation flow and two semistage computations of the Kepler flow at every integration step. Also, higher-order composite methods such as the Forest-Ruth fourth-order symplectic integrator and its optimized algorithm are applicable. Various numerical tests including simulations of chaotic orbits show that the mixed leapfrog integrator is always superior to the midpoint rule in energy accuracy, while both of them are almost equivalent in computational efficiency. Particularly, the optimized fourth-order algorithm compared with the mixed leapfrog scheme provides good precision and needs no expensive additional computational time. As a result, it is worth performing a more detailed and careful examination of the dynamical structure of chaos and order in the parameter windows and phase space of the binary system.

Analysis and Design of Binary Message-Passing Decoders

DEFF Research Database (Denmark)

Lechner, Gottfried; Pedersen, Troels; Kramer, Gerhard

2012-01-01

Binary message-passing decoders for low-density parity-check (LDPC) codes are studied by using extrinsic information transfer (EXIT) charts. The channel delivers hard or soft decisions and the variable node decoder performs all computations in the L-value domain. A hard decision channel results...... message-passing decoders. Finally, it is shown that errors on cycles consisting only of degree two and three variable nodes cannot be corrected and a necessary and sufficient condition for the existence of a cycle-free subgraph is derived....... in the well-know Gallager B algorithm, and increasing the output alphabet from hard decisions to two bits yields a gain of more than 1.0 dB in the required signal to noise ratio when using optimized codes. The code optimization requires adapting the mixing property of EXIT functions to the case of binary...

Molten salt destruction of rubber and chlorinated solvents

International Nuclear Information System (INIS)

Upadhye, R.S.; Wilder, J.G.

1994-09-01

Acceptable methods for the treatment of mixed wastes are not currently available. The authors have investigated Molten Salt Destruction (MSD) as an alternative to incineration of mixed wastes. MSD differs from incineration in several ways: there is no evidence of open flames in MSD, the containment of actinides is accomplished by chemical means (wetting and dissolution), the operating temperature of MSD is much lower (700--590 C vs 1,000--1,200 C) thus lowering the volatility of actinides. Furthermore, no acid gases are released from MSD. These advantages provide the main incentive for developing MSD as an alternative to incineration. The authors have demonstrated the viability of the MSD process to cleanly destroy rubber and chlorinated solvents

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.

Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory

NARCIS (Netherlands)

Braun, S.; Kraska, T.; Kalikmanov, V.I.

2013-01-01

Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster

Thermal decomposition of organic solvent with nitric acid in nuclear fuel reprocessing plants

Energy Technology Data Exchange (ETDEWEB)

Koike, Tadao; Nishio, Gunji; Takada, Junichi; Tukamoto, Michio; Watanabe, Kouji [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Miyata, Sadaichirou

1995-02-01

Since a thermal decomposition of organic solvent containing TBP (tributyl phosphate) with nitric acid and heavy metal nitrates is an exothermic reaction, it is possible to cause an explosive decomposition of TBP-complex materials formed by a nitration between the solvent and nitric acid, if the solvent involving TBP-complex is heated upto a thermal limit in an evaporator to concentrate a fuel liquid solution from the extraction process in the reprocessing plant. In JAERI, the demonstration test for explosive decomposition of TBP-complex by the nitration was performed to elucidate the safety margin of the evaporator in the event of hypothetical explosion under auspices of the Science and Technology Agency. The demonstration test was carried out by heating TBP/n-dodecane solvent mixed with nitric acid and uranium nitrate. In the test, the thermal decomposition behavior of the solvent was examined, and also a kinematic reaction constant and a heat formation of the TBP-complex decomposition were measured by the test. In the paper, a safety analysis of a model evaporator was conducted during accidental conditions under the explosive decomposition of the solvent. (author).

Combined effects of ototoxic solvents and noise on hearing in automobile plant workers in Iran.

Science.gov (United States)

Mohammadi, Saber; Labbafinejad, Yasser; Attarchi, Mirsaeed

2010-09-01

Exposure of workers to mixtures of organic solvents and to occupational noise is frequent in a number of industries. Recent studies suggest that exposure to both can cause a more severe hearing loss than exposure to noise alone. Our cross-sectional study included 411 workers of a large automobile plant divided in three groups. The first group included assembly workers exposed to noise alone; the second included workers in a new paint shop, who were exposed to a mixture of organic solvents at a permissible level; and the third group included paint shop workers exposed to both noise and higher than permissible levels of organic solvents in an old paint shop. These groups were compared in terms of low-frequency hearing loss (model 1; average hearing threshold >25 dB at 0.5 kHz, 1 kHz, and 2 kHz) and high-frequency hearing loss (model 2; average hearing threshold >25 dB at 3 kHz, 4 kHz, 6 kHz, and 8 kHz). High-frequency hearing loss was more common in workers exposed to a combination of noise and mixed organic solvents even at permissible levels than in workers exposed to noise alone even after correction for confounding variables. This study shows that combined exposure to mixed organic solvents and occupational noise can exacerbate hearing loss in workers. Therefore, an appropriate hearing protection programme is recommended, that would include short-interval audiometric examinations and efficient hearing protectors.

The ultrasound-assisted oxidative scission of monoenic fatty acids by ruthenium tetroxide catalysis: influence of the mixture of solvents.

Science.gov (United States)

Rup, Sandrine; Zimmermann, François; Meux, Eric; Schneider, Michel; Sindt, Michele; Oget, Nicolas

2009-02-01

Carboxylic acids and diacids were synthesized from monoenic fatty acids by using RuO4 catalysis, under ultrasonic irradiation, in various mixtures of solvents. Ultrasound associated with Aliquat 336 have promoted in water, the quantitative oxidative cleavage of the CH=CH bond of oleic acid. A design of experiment (DOE) shows that the optimal mixture of solvents (H2O/MeCN, ratio 1/1, 2.2% RuCl3/4.1 eq. NaIO4) gives 81% azelaic acid and 97% pelargonic acid. With the binary heterogeneous mixture H2O/AcOEt, the oxidation of the oleic acid leads to a third product, the alpha-dione 9,10-dioxostearic acid.

Investigation of anti-solvent induced optical properties change of cesium lead bromide iodide mixed perovskite (CsPbBr3-xIx) quantum dots.

Science.gov (United States)

Yuan, Lin; Patterson, Robert; Wen, Xiaoming; Zhang, Zhilong; Conibeer, Gavin; Huang, Shujuan

2017-10-15

Cesium lead halide (CsPbX 3 , X=Cl, Br, I) perovskites are a new material system that has attracted a lot of research focus. Its tunable band gap and better thermal stability than organic lead halide perovskite give it the potential for applications in optoelectronic devices such as light-emitting diodes and solar cells. Here we have synthesized CsPbBr 3-x I x perovskite quantum dots (QDs) via a solution process, and then have selected three different anti-solvents to purify the product. A significant effect on optical properties of CsPbBr 3-x I x was found after the centrifugation process. Up to a ∼40nm shift was observed in mixed halide CsPbBr 3-x I x QDs in both absorbance and PL spectra after purification while there was no obvious change in pure CsPbBr 3 when it was subjected to the same purification steps. XPS analysis shows that the Br:I ratio of the CsPbBr 3-x I x QDs had changed as a result of exposure to the anti-solvent, causing the change of the band gap and shift of the spectra. It is also shown that iodine can be removed more easily than bromine during the anti-solvent purification. Ab-initio simulations of small CsPbBr 3-x I x atomic clusters suggest that exposed Cs ions on Cs-terminated facets are the first species to be attacked by hydrophilic molecules, likely dragging halide ions into solution with them to maintain overall charge neutrality in the material. Charge carrier recombination rates were found to be unchanged and all samples maintained a good PL quantum yield which was more than 44%. Copyright © 2017. Published by Elsevier Inc.

Solvent wash solution

International Nuclear Information System (INIS)

Neace, J.C.

1986-01-01

This patent describes a process for removing diluent degradation products from a solvent extraction solution comprising an admixture of an organic extractant for uranium and plutonium and a non-polar organic liquid diluent, which has been used to recover uranium and plutonium from spent nuclear fuel. Comprising combining a wash solution consisting of: (a) water; and (b) a positive amount up to about, an including, 50 volume percent of at least one highly-polar water-miscible organic solvent, based on the total volume of the water and the highly-polar organic solvent, with the solvent extraction solution after uranium and plutonium values have been stripped from the solvent extraction solution, the diluent degradation products dissolving in the highly-polar organic solvent and the extractant and diluent of the extraction solution not dissolving in the highly-polar organic solvent, and separating the highly-polar organic solvent and the extraction solution to obtain a purified extraction solution

Decoding Mode-mixing in Black-hole Merger Ringdown

Science.gov (United States)

Kelly, Bernard J.; Baker, John G.

2013-01-01

Optimal extraction of information from gravitational-wave observations of binary black-hole coalescences requires detailed knowledge of the waveforms. Current approaches for representing waveform information are based on spin-weighted spherical harmonic decomposition. Higher-order harmonic modes carrying a few percent of the total power output near merger can supply information critical to determining intrinsic and extrinsic parameters of the binary. One obstacle to constructing a full multi-mode template of merger waveforms is the apparently complicated behavior of some of these modes; instead of settling down to a simple quasinormal frequency with decaying amplitude, some |m| = modes show periodic bumps characteristic of mode-mixing. We analyze the strongest of these modes the anomalous (3, 2) harmonic mode measured in a set of binary black-hole merger waveform simulations, and show that to leading order, they are due to a mismatch between the spherical harmonic basis used for extraction in 3D numerical relativity simulations, and the spheroidal harmonics adapted to the perturbation theory of Kerr black holes. Other causes of mode-mixing arising from gauge ambiguities and physical properties of the quasinormal ringdown modes are also considered and found to be small for the waveforms studied here.

Experimental study on thermal storage performance of binary mixtures of fatty acids

Science.gov (United States)

Yan, Quanying; Zhang, Jing; Liu, Chao; Liu, Sha; Sun, Xiangyu

2018-02-01

We selected five kinds of fatty acids including the capric acid, stearic acid, lauric acid, palmitic acid and myristic acid and mixed them to prepare10 kinds of binary mixtures of fatty acids according to the predetermined proportion,tested the phase change temperature and latent heat of mixtures by differential scanning calorimetry(DSC). In order to find the fatty acid mixture which has suitable phase change temperature, the larger phase change latent heat and can be used for phase change wall. The results showed that the phase change temperature and latent heats of the binary mixtures of fatty acids decreased compared with the single component;The phase change temperature of the binary mixtures of fatty acids containing capric acid were lower, the range was roughly 20∼30°C,and latent heat is large,which are ideal phase change materials for phase change wall energy storage;The phase change temperature of the binary mixtures consisting of other fatty acids were still high,didn’t meet the temperature requirements of the wall energy storage.

Heat of mixing and morphological stability

Science.gov (United States)

Nandapurkar, P.; Poirier, D. R.

1988-01-01

A mathematical model, which incorporates heat of mixing in the energy balance, has been developed to analyze the morphological stability of a planar solid-liquid interface during the directional solidification of a binary alloy. It is observed that the stability behavior is almost that predicted by the analysis of Mullins and Sekerka (1963) at low growth velocities, while deviations in the critical concentration of about 20-25 percent are observed under rapid solidification conditions for certain systems. The calculations indicate that a positive heat of mixing makes the planar interface more unstable, whereas a negative heat of mixing makes it more stable, in terms of the critical concentration.

Enthalpies of mixing in the ternary system aluminium chloride - potassium chloride - aluminium chloride monoamine

Energy Technology Data Exchange (ETDEWEB)

Hatem, G.; Gaune-Escard, M.; Bros, J.P. (Aix-Marseille-2 Univ., 13 - Marseille (France). Centre de Saint Jerome); Ostvold, T. (Norges Tekniske Hoegskole, Trondheim (Norway). Inst. for Uorganisk Kjemi)

1988-06-01

Quasi binary enthalpy of mixing experiments have been performed in the ternary liquid system AlCl{sub 3}-AlCl{sub 3}NH{sub 3}-KCl by mixing AlCl{sub 3} + KCl with AlCl{sub 3}NH{sub 3} keeping the ratio X{sub AlCl3}/X{sub KCl} = 1.125, 1.5 and 2.0, respectively. At X{sub AlCl3}NH{sub 3} = 0.5 and T = 270deg C the enthalpies of mixing were {approx equal} -430 J mol{sup -1} for all the quasi-binaries studied. The new enthalpy data are not fully consistent with published vapour pressure data and thermodynamic model calculations. (orig.).

Thermal transport in binary colloidal glasses: Composition dependence and percolation assessment

Science.gov (United States)

Ruckdeschel, Pia; Philipp, Alexandra; Kopera, Bernd A. F.; Bitterlich, Flora; Dulle, Martin; Pech-May, Nelson W.; Retsch, Markus

2018-02-01

The combination of various types of materials is often used to create superior composites that outperform the pure phase components. For any rational design, the thermal conductivity of the composite as a function of the volume fraction of the filler component needs to be known. When approaching the nanoscale, the homogeneous mixture of various components poses an additional challenge. Here, we investigate binary nanocomposite materials based on polymer latex beads and hollow silica nanoparticles. These form randomly mixed colloidal glasses on a sub-μ m scale. We focus on the heat transport properties through such binary assembly structures. The thermal conductivity can be well described by the effective medium theory. However, film formation of the soft polymer component leads to phase segregation and a mismatch between existing mixing models. We confirm our experimental data by finite element modeling. This additionally allowed us to assess the onset of thermal transport percolation in such random particulate structures. Our study contributes to a better understanding of thermal transport through heterostructured particulate assemblies.

Synergic effects in the extraction of paracetamol from aqueous NaCl solution by the binary mixtures of diethyl ether and low molecular weight primary alcohols

Science.gov (United States)

Nikolić, G. M.; Živković, J. V.; Atanasković, D. S.; Nikolić, M. G.

2013-12-01

Liquid-liquid extraction of paracetamol from aqueous NaCl solutions was performed with diethyl ether, 1-propanol, 1-butanol, isobutanol, 1-pentanol, and binary mixtures diethyl ether/1-propanol, diethyl ether/1-butanol, and diethyl ether/isobutanol. Among the pure solvents investigated in this study best extraction efficacy was obtained with 1-butanol. Synergic effects in the extraction with binary mixtures was investigated and compared with some other systems used for the extraction of poorly extractable compounds. Results obtained in this study may be of both fundamental and practical importance.

Solvent-Free Manufacturing of Electrodes for Lithium-ion Batteries

Science.gov (United States)

Ludwig, Brandon; Zheng, Zhangfeng; Shou, Wan; Wang, Yan; Pan, Heng

2016-03-01

Lithium ion battery electrodes were manufactured using a new, completely dry powder painting process. The solvents used for conventional slurry-cast electrodes have been completely removed. Thermal activation time has been greatly reduced due to the time and resource demanding solvent evaporation process needed with slurry-cast electrode manufacturing being replaced by a hot rolling process. It has been found that thermal activation time to induce mechanical bonding of the thermoplastic polymer to the remaining active electrode particles is only a few seconds. Removing the solvent and drying process allows large-scale Li-ion battery production to be more economically viable in markets such as automotive energy storage systems. By understanding the surface energies of various powders which govern the powder mixing and binder distribution, bonding tests of the dry-deposited particles onto the current collector show that the bonding strength is greater than slurry-cast electrodes, 148.8 kPa as compared to 84.3 kPa. Electrochemical tests show that the new electrodes outperform conventional slurry processed electrodes, which is due to different binder distribution.

Comparative study of binary and ternary complexes of some rare earths

International Nuclear Information System (INIS)

Makhijani, S.D.; Sangal, S.P.

1978-01-01

Modified form of Irving and Rossotti's pH titration technique has been used to evaluate and compare the stability constants of the binary and ternary complexes of Sc(III), Y(III), La(III), Pr(III), Nd(III) and Sm(III) at 30 0 at an ionic strength of 0.2M NaClO 4 . For the study of ternary complexes, nitrilotriacetic acid has been used as a primary ligand and polyhydroxy phenols i.e. pyrocatechol (PYC), pyrogallol (PYG) and gallic acid (GA) as secondary ligands. The stability constants of the binary complexes were found to be more than those of the corresponding ternary complexes which can reasonably be explained on the basis of electrostatic force between primary complex (metal in the case of binary complex) and secondary ligand, and space available to accommodate the secondary ligand. The stability decreases with the increase in ionic radii, i.e. Sc(III)>Y(III)>Sm(III)>Nd(III)>Pr(III)>La(III). In terms of secondary ligand, it follows the order PYC>GA>PYG. Rare earths form only 1:1 binary complex, and 1:1:1 mixed ligand complex in all the cases. (author)

Thermodynamic modelling of the absorption of acid gas in mixed solvent (water-di-ethanolamine-methanol); Modelisation thermodynamique de l'absorption des gaz acides dans un solvant mixte (eau-diethanolamine-methanol)

Energy Technology Data Exchange (ETDEWEB)

Habchi tounsi, K.N.

2003-10-01

This work is related to the development of new processes about gas sweetening with mixed solvent coupling a chemical one (aqueous solution of di-ethanolamine) and a physical one (Methanol). These systems are electrolyte solutions constituted by ions and molecular species related each others by chemical reactions. This work is also relevant to the problematic of solvent mixtures (water-methanol). In a first stage we focus our interest over the measurement of original data covering a large experimental interval: five compositions in condition of pressures and temperatures up to 30 and 120 deg C respectively. In a second stage the simultaneous representation of chemical and phase equilibrium was successfully realised. The non stoichiometric method is used for the determination of chemical equilibrium. The heterogeneous method (Peng Robinson + NRTL electrolyte) is used for the representation of vapour liquid equilibrium. (author)

Effect of hydrogen bonding of a solvent on the thermodynamic stability of cadmium complexes of ethylenediamine

International Nuclear Information System (INIS)

Ledenkov, S.F.; Sharnin, V.A.; Chistyakova, G.V.

2004-01-01

The composition and stability of cadmium(II) ethylenediamine complexes in water-dimethylsulfoxide (DMSO) mixed solvents, depending on the content of organic component, were studied by the methods of pH-metry and calorimetry. It is shown that increase in DMSO content in the solvent gives rise to higher stability of cadmium complexes. The greatest growth of stability constant was pointed out for coordination-saturated compounds. The complexing thermodynamics was discussed from the viewpoint of solvation approach. Protolytic solvents were shown to produce destabilizing effect on the polyligand complexes owing to participation of coordination sphere in H-binding [ru

Natural deep eutectic solvents as new potential media for green technology

International Nuclear Information System (INIS)

Dai, Yuntao; Spronsen, Jaap van; Witkamp, Geert-Jan; Verpoorte, Robert; Choi, Young Hae

2013-01-01

Highlights: ► Natural products were used as a source for deep eutectic solvents and ionic liquids. ► We define own chemical and physical properties of natural deep eutectic solvents. ► Interaction between natural deep eutectic solvents and solutes was confirmed by NMR. ► The developed natural deep eutectic solvents were applied as green media. - Abstract: Developing new green solvents is one of the key subjects in Green Chemistry. Ionic liquids (ILs) and deep eutectic solvents, thus, have been paid great attention to replace current harsh organic solvents and have been applied to many chemical processing such as extraction and synthesis. However, current ionic liquids and deep eutectic solvents have still limitations to be applied to a real chemical industry due to toxicity against human and environment and high cost of ILs and solid state of most deep eutectic solvents at room temperature. Recently we discovered that many plant abundant primary metabolites changed their state from solid to liquid when they were mixed in proper ratio. This finding made us hypothesize that natural deep eutectic solvents (NADES) play a role as alternative media to water in living organisms and tested a wide range of natural products, which resulted in discovery of over 100 NADES from nature. In order to prove deep eutectic feature the interaction between the molecules was investigated by nuclear magnetic resonance spectroscopy. All the tested NADES show clear hydrogen bonding between components. As next step physical properties of NADES such as water activity, density, viscosity, polarity and thermal properties were measured as well as the effect of water on the physical properties. In the last stage the novel NADES were applied to the solubilization of wide range of biomolecules such as non-water soluble bioactive natural products, gluten, starch, and DNA. In most cases the solubility of the biomolecules evaluated in this study was greatly higher than water. Based on the

Natural deep eutectic solvents as new potential media for green technology

Energy Technology Data Exchange (ETDEWEB)

Dai, Yuntao [Natural Products Laboratory, Institute of Biology, Leiden University, 2300 RA Leiden (Netherlands); Spronsen, Jaap van; Witkamp, Geert-Jan [Laboratory for Process Equipment, Delft University of Technology, Delft (Netherlands); Verpoorte, Robert [Natural Products Laboratory, Institute of Biology, Leiden University, 2300 RA Leiden (Netherlands); Choi, Young Hae, E-mail: y.choi@chem.leidenuniv.nl [Natural Products Laboratory, Institute of Biology, Leiden University, 2300 RA Leiden (Netherlands)

2013-03-05

Highlights: ► Natural products were used as a source for deep eutectic solvents and ionic liquids. ► We define own chemical and physical properties of natural deep eutectic solvents. ► Interaction between natural deep eutectic solvents and solutes was confirmed by NMR. ► The developed natural deep eutectic solvents were applied as green media. - Abstract: Developing new green solvents is one of the key subjects in Green Chemistry. Ionic liquids (ILs) and deep eutectic solvents, thus, have been paid great attention to replace current harsh organic solvents and have been applied to many chemical processing such as extraction and synthesis. However, current ionic liquids and deep eutectic solvents have still limitations to be applied to a real chemical industry due to toxicity against human and environment and high cost of ILs and solid state of most deep eutectic solvents at room temperature. Recently we discovered that many plant abundant primary metabolites changed their state from solid to liquid when they were mixed in proper ratio. This finding made us hypothesize that natural deep eutectic solvents (NADES) play a role as alternative media to water in living organisms and tested a wide range of natural products, which resulted in discovery of over 100 NADES from nature. In order to prove deep eutectic feature the interaction between the molecules was investigated by nuclear magnetic resonance spectroscopy. All the tested NADES show clear hydrogen bonding between components. As next step physical properties of NADES such as water activity, density, viscosity, polarity and thermal properties were measured as well as the effect of water on the physical properties. In the last stage the novel NADES were applied to the solubilization of wide range of biomolecules such as non-water soluble bioactive natural products, gluten, starch, and DNA. In most cases the solubility of the biomolecules evaluated in this study was greatly higher than water. Based on the

Rheology and microstructure of binary mixed gel of rice bran protein-whey: effect of heating rate and whey addition.

Science.gov (United States)

Rafe, Ali; Vahedi, Elnaz; Hasan-Sarei, Azadeh Ghorbani

2016-08-01

Rice bran protein (RBP) is a valuable plant protein which has unique nutritional and hypoallergenic properties. Whey proteins have wide applications in the food industry, such as in dairy, meat and bakery products. Whey protein concentrate (WPC), RBP and their mixtures at different ratios (1:1, 1:2, 1:5 and 1:10 w/w) were heated from 20 to 90 °C at different heating rates (0.5, 1, 5 and 10 °C min(-1) ). The storage modulus (G') and gelling point (Tgel ) of WPC were higher than those of RBP, indicating the good ability of WPC to develop stiffer networks. By increasing the proportion of WPC in mixed systems, G' was increased and Tgel was reduced. Nevertheless, the elasticity of all binary mixtures was lower than that of WPC alone. Tgel and the final G' of RBP-WPC blends were increased by raising the heating rate. The RBP-WPC mixtures developed more elastic gels than RBP alone at different heating rates. RBP had a fibrillar and lentil-like structure whose fibril assembly had smaller structures than those of WPC. The gelling structure of the mixed gel of WPC-RBP was improved by adding WPC. Indeed, by adding WPC, gels tended to show syneresis and had lower water-holding capacity. Furthermore, the gel structure was produced by adding WPC to the non-gelling RBP, which is compatible with whey and can be applied as a functional food for infants and/or adults. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.

Pulsars in binary systems: probing binary stellar evolution and general relativity.

Science.gov (United States)

Stairs, Ingrid H

2004-04-23

Radio pulsars in binary orbits often have short millisecond spin periods as a result of mass transfer from their companion stars. They therefore act as very precise, stable, moving clocks that allow us to investigate a large set of otherwise inaccessible astrophysical problems. The orbital parameters derived from high-precision binary pulsar timing provide constraints on binary evolution, characteristics of the binary pulsar population, and the masses of neutron stars with different mass-transfer histories. These binary systems also test gravitational theories, setting strong limits on deviations from general relativity. Surveys for new pulsars yield new binary systems that increase our understanding of all these fields and may open up whole new areas of physics, as most spectacularly evidenced by the recent discovery of an extremely relativistic double-pulsar system.

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...... in IL-acetone mixtures made it possible to improve the solubility of esculin while the effects of ILs on lipase activity were minimized. Following the benignity of ILs to lipase activity, the anions of ILs were ranked in the order as [Tf2N](-) > [PF6](-) > [BF4](-) > [CF3SO3](-) > [C4F9SO3](-) > [TAF...

The Effect of Solvents on the Performance of CH3NH3PbI3 Perovskite Solar Cells

Directory of Open Access Journals (Sweden)

Pao-Hsun Huang

2017-04-01

Full Text Available The properties of perovskite solar cells (PSCs fabricated using various solvents was studied. The devices had an indium tin oxide (ITO/poly(3,4-ethylenedioxythiophene: poly(styrenesulfonate (PEDOT:PSS/CH3NH3PbI3 (fabricated by using various solvents/fullerene (C60/bathocuproine (BCP/silver (Ag structure. The solvents used were dimethylformamide (DMF, γ-butyrolactone (GBL, dimethyl sulfoxide (DMSO, a mixture of DMSO and DMF (1:1 v/v, and a mixture of DMSO and GBL (DMSO: GBL, 1:1 v/v, respectively. The power conversion efficiency (PCE of the device fabricated using DMF is zero, which is attributed to the poor coverage of CH3NH3PbI3 film on the substrate. In addition, the PCE of the device made using GBL is only 1.74% due to the low solubility of PbI2 and CH3NH3I. In contrast, the PCE of the device fabricated using the solvents containing DMSO showed better performance. This is ascribed to the high solubilization properties and strong coordination of DMSO. As a result, a PCE of 9.77% was obtained using a mixed DMSO:GBL solvent due to the smooth surface, uniform film coverage on the substrate and the high crystallization of the perovskite structure. Finally, a mixed DMSO: DMF:GBL (5:2:3 v/v/v solvent that combined the advantages of each solvent was used to fabricate a device, leading to a further improvement of the PCE of the resulting PSC to 10.84%.

Determination of protein and solvent volumes in protein crystals from contrast variation data

Energy Technology Data Exchange (ETDEWEB)

Badger, J. [Brandeis Univ., Waltham, MA (United States)

1994-12-31

By varying the relative values of protein and solvent scattering densities in a crystal, it is possible to obtain information on the shape and dimensions of protein molecular envelopes. Neutron diffraction methods are ideally suited to these contrast variation experiments because H/D exchange leads to large differential changes in the protein and solvent scattering densities and is structurally non-perturbing. Low resolution structure factors have been measured from cubic insulin crystals with differing H/D contents. Structure factors calculated from a simple binary density model, in which uniform scattering densities represent the protein and solvent volumes in the crystals, were compared with these data. The contrast variation differences in the sets of measured structure factors were found to be accurately fitted by this simple model. Trial applications to two problems in crystal structure determination illustrate how this fact may be exploited. (1) A translation function that employs contrast variation data gave a sharp minimum within 1-9{Angstrom} of the correctly positioned insulin molecule and is relatively insensitive to errors in the atomic model. (2) An ab initio phasing method for the contrast variation data, based on analyzing histograms of the density distributions in trial maps, was found to recover the correct molecular envelope.

Combination pulsed electric field with ethanol solvent for Nannochloropsis sp. extraction

Science.gov (United States)

Nafis, Ghazy Ammar; Mumpuni, Perwitasari Yekti; Indarto, Budiman, Arief

2015-12-01

Nowadays, energy is one of human basic needs. As the human population increased, energy consumption also increased. This condition causes energy depletion. In case of the situation, alternative energy is needed to replace existing energy. Microalgae is chosen to become one of renewable energy resource, especially biodiesel, because it contains high amount of lipid instead of other feedstock which usually used. Fortunately, Indonesia has large area of water and high intensity of sunlight so microalgae cultivation becomes easier. Nannochloropsis sp., one of microalgae species, becomes the main focus because of its high lipid content. Many ways to break the cell wall of microalgae so the lipid content inside the microalgae will be released, for example conventional extraction, ultrasonic wave extraction, pressing, and electrical method. The most effective way for extraction is electrical method such as pulsed electric field method (PEF). The principal work of this method is by draining the electrical current into parallel plate. Parallel plate will generate the electrical field to break microalgae cell wall and the lipid will be released. The aim of this work is to evaluate two-stage procedure for extraction of useful components from microalgae Nannochloropsis sp. The first stage of this procedure includes pre-treatment of microalgae by ethanol solvent extraction and the second stage applies the PEF extraction using a binary mixture of water and ethanol solvent. Ethanol is chosen as solvent because it's safer to be used and easier to be handled than other solvent. Some variables that used to study the most effective operation conditions are frequency and duty cycle for microalgae. The optimum condition based on this research are at frequency 1 Hz and duty cycle 13%.

Solid/liquid interfacial free energies in binary systems

Science.gov (United States)

Nason, D.; Tiller, W. A.

1973-01-01

Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

Synthesis of sol–gel silica particles in reverse micelles with mixed-solvent polar cores: tailoring nanoreactor structure and properties

Energy Technology Data Exchange (ETDEWEB)

Bürglová, Kristýna; Hlaváč, Jan [Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry (Czech Republic); Bartlett, John R., E-mail: jbartlett@usc.edu.au [University of the Sunshine Coast, Faculty of Science, Health, Education and Engineering (Australia)

2015-07-15

In this paper, we describe a new approach for producing metal oxide nano- and microparticles via sol–gel processing in confined media (sodium bis(2-ethylhexyl)sulfosuccinate reverse micelles), in which the chemical and physical properties of the polar aqueous core of the reverse micelles are modulated by the inclusion of a second polar co-solvent. The co-solvents were selected for their capacity to solubilise compounds with low water solubility and included dimethylsulfoxide, dimethylformamide, ethylene glycol, n-propanol, dimethylacetamide and N-methylpyrrolidone. A broad range of processing conditions across the sodium bis(2-ethylhexyl)sulfosuccinate/cyclohexane/water phase diagram were identified that are suitable for preparing particles with dimensions <50 to >500 nm. In contrast, only a relatively narrow range of processing conditions were suitable for preparing such particles in the absence of the co-solvents, highlighting the role of the co-solvent in modulating the properties of the polar core of the reverse micelles. A mechanism is proposed that links the interactions between the various reactive sites on the polar head group of the surfactant and the co-solvent to the nucleation and growth of the particles.

Trojan Binaries

Science.gov (United States)

Noll, K. S.

2017-12-01

The Jupiter Trojans, in the context of giant planet migration models, can be thought of as an extension of the small body populations found beyond Neptune in the Kuiper Belt. Binaries are a distinctive feature of small body populations in the Kuiper Belt with an especially high fraction apparent among the brightest Cold Classicals. The binary fraction, relative sizes, and separations in the dynamically excited populations (Scattered, Resonant) reflects processes that may have eroded a more abundant initial population. This trend continues in the Centaurs and Trojans where few binaries have been found. We review new evidence including a third resolved Trojan binary and lightcurve studies to understand how the Trojans are related to the small body populations that originated in the outer protoplanetary disk.

Solvent extraction of Zn and metals in Zn ores by nonphosphorous solvents

International Nuclear Information System (INIS)

Auchapt, J.M.; Tostain, Jacqueline.

1975-07-01

This bibliography follows a first work on Zn solvent extraction by organo-phosphorous compounds. The other solvents used in Zn extraction, are studied: oxygenated nonphosphorous solvents (ketones, alcohols, carboxylic acids, sulfonates), nitrogenous solvents and hydrocarbons [fr

A comparison of the effects of solvent and noise exposure on hearing, together and separately

Directory of Open Access Journals (Sweden)

Ilhan Unlu

2014-01-01

Full Text Available The objective of the present study was to assess the effects of occupational exposure to noise and organic solvents on hearing loss in bus and truck plant workers. Our case control study contained 469 workers from a bus and truck plant divided into three groups. The first group contained workers exposed to only noise; the second group contained workers exposed to both noise and mixture solvents at a permissible level; and the third group included workers exposed to permissible levels of solvents. The control group (Group 4 included 119 individuals selected randomly, persons who were not exposed to noise and solvents. These groups were compared in terms of each individual′s frequency hearing loss in both ears. Our study demonstrates that combined exposure to mixed solvents and noise can exacerbate hearing loss in workers. Hence, a suitable hearing protection program is advised that would contain short-interval audiometric examinations and efficient hearing protectors.

The Binary System Laboratory Activities Based on Students Mental Model

Science.gov (United States)

Albaiti, A.; Liliasari, S.; Sumarna, O.; Martoprawiro, M. A.

2017-09-01

Generic science skills (GSS) are required to develop student conception in learning binary system. The aim of this research was to know the improvement of students GSS through the binary system labotoratory activities based on their mental model using hypothetical-deductive learning cycle. It was a mixed methods embedded experimental model research design. This research involved 15 students of a university in Papua, Indonesia. Essay test of 7 items was used to analyze the improvement of students GSS. Each items was designed to interconnect macroscopic, sub-microscopic and symbolic levels. Students worksheet was used to explore students mental model during investigation in laboratory. The increase of students GSS could be seen in their N-Gain of each GSS indicators. The results were then analyzed descriptively. Students mental model and GSS have been improved from this study. They were interconnect macroscopic and symbolic levels to explain binary systems phenomena. Furthermore, they reconstructed their mental model with interconnecting the three levels of representation in Physical Chemistry. It necessary to integrate the Physical Chemistry Laboratory into a Physical Chemistry course for effectiveness and efficiency.

Solvent substitution

International Nuclear Information System (INIS)

1990-01-01

The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general ''Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated

Review on Carbon Dioxide Absorption by Choline Chloride/Urea Deep Eutectic Solvents

Directory of Open Access Journals (Sweden)

Rima J. Isaifan

2018-01-01

Full Text Available In the recent past few years, deep eutectic solvents (DESs were developed sharing similar characteristics to ionic liquids but with more advantageous features related to preparation cost, environmental impact, and efficiency for gas separation processes. Amongst many combinations of DES solvents that have been prepared, reline (choline chloride as the hydrogen bond acceptor mixed with urea as the hydrogen bond donor was the first DES synthesized and is still the one with the lowest melting point. Choline chloride/urea DES has proven to be a promising solvent as an efficient medium for carbon dioxide capture when compared with amine alone or ionic liquids under the same conditions. This review sheds light on the preparation method, physical and chemical characteristics, and the CO2 absorption capacity of choline chloride/urea DES under different temperatures and pressures reported up to date.

Co-non-solvency: Mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents

Energy Technology Data Exchange (ETDEWEB)

Mukherji, Debashish; Stuehn, Torsten; Kremer, Kurt [Max-Planck Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz (Germany); Marques, Carlos M. [Max-Planck Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz (Germany); Institut Charles Sadron, Université de Strasbourg, CNRS, Strasbourg (France)

2015-03-21

Smart polymers are a modern class of polymeric materials that often exhibit unpredictable behavior in mixtures of solvents. One such phenomenon is co-non-solvency. Co-non-solvency occurs when two (perfectly) miscible and competing good solvents, for a given polymer, are mixed together. As a result, the same polymer collapses into a compact globule within intermediate mixing ratios. More interestingly, polymer collapses when the solvent quality remains good and even gets increasingly better by the addition of the better cosolvent. This is a puzzling phenomenon that is driven by strong local concentration fluctuations. Because of the discrete particle based nature of the interactions, Flory-Huggins type mean field arguments become unsuitable. In this work, we extend the analysis of the co-non-solvency effect presented earlier [D. Mukherji et al., Nat. Commun. 5, 4882 (2014)]. We explain why co-non-solvency is a generic phenomenon, which can only be understood by the thermodynamic treatment of the competitive displacement of (co)solvent components. This competition can result in a polymer collapse upon improvement of the solvent quality. Specific chemical details are not required to understand these complex conformational transitions. Therefore, a broad range of polymers are expected to exhibit similar reentrant coil-globule-coil transitions in competing good solvents.

Co-non-solvency: Mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents

International Nuclear Information System (INIS)

Mukherji, Debashish; Stuehn, Torsten; Kremer, Kurt; Marques, Carlos M.

2015-01-01

Smart polymers are a modern class of polymeric materials that often exhibit unpredictable behavior in mixtures of solvents. One such phenomenon is co-non-solvency. Co-non-solvency occurs when two (perfectly) miscible and competing good solvents, for a given polymer, are mixed together. As a result, the same polymer collapses into a compact globule within intermediate mixing ratios. More interestingly, polymer collapses when the solvent quality remains good and even gets increasingly better by the addition of the better cosolvent. This is a puzzling phenomenon that is driven by strong local concentration fluctuations. Because of the discrete particle based nature of the interactions, Flory-Huggins type mean field arguments become unsuitable. In this work, we extend the analysis of the co-non-solvency effect presented earlier [D. Mukherji et al., Nat. Commun. 5, 4882 (2014)]. We explain why co-non-solvency is a generic phenomenon, which can only be understood by the thermodynamic treatment of the competitive displacement of (co)solvent components. This competition can result in a polymer collapse upon improvement of the solvent quality. Specific chemical details are not required to understand these complex conformational transitions. Therefore, a broad range of polymers are expected to exhibit similar reentrant coil-globule-coil transitions in competing good solvents

Substrate inhibition kinetics of phenol degradation by binary mixed ...

African Journals Online (AJOL)

Steady states of a continuous culture with an inhibitory substrate were used to estimate kinetic parameters under substrate limitation (chemo stat operation). Mixed cultures of an indigenous Pseudomonas fluorescence and Pseudomonas aeruginosa were grown in continuous culture on phenol as the sole source of carbon ...

Excited state charge transfer reaction in (mixed solvent + electrolyte ...

Indian Academy of Sciences (India)

vent characteristics summarized in table 1 indicate that these mixed ... polarity scale,35,36 on the other hand, seems to sug- ... electrolyte than the specified ones become insoluble in ... kinetics of P4C eventhough alternative models40,41 are ...... Maurer G 1983 Fluid Phase Equilib. ... Yoon B J and Ohr Y G 2000 J. Chem.

Testing the Binary Black Hole Nature of a Compact Binary Coalescence.

Science.gov (United States)

Krishnendu, N V; Arun, K G; Mishra, Chandra Kant

2017-09-01

We propose a novel method to test the binary black hole nature of compact binaries detectable by gravitational wave (GW) interferometers and, hence, constrain the parameter space of other exotic compact objects. The spirit of the test lies in the "no-hair" conjecture for black holes where all properties of a Kerr black hole are characterized by its mass and spin. The method relies on observationally measuring the quadrupole moments of the compact binary constituents induced due to their spins. If the compact object is a Kerr black hole (BH), its quadrupole moment is expressible solely in terms of its mass and spin. Otherwise, the quadrupole moment can depend on additional parameters (such as the equation of state of the object). The higher order spin effects in phase and amplitude of a gravitational waveform, which explicitly contains the spin-induced quadrupole moments of compact objects, hence, uniquely encode the nature of the compact binary. Thus, we argue that an independent measurement of the spin-induced quadrupole moment of the compact binaries from GW observations can provide a unique way to distinguish binary BH systems from binaries consisting of exotic compact objects.

Permeation of aromatic solvent mixtures through nitrile protective gloves.

Science.gov (United States)

Chao, Keh-Ping; Hsu, Ya-Ping; Chen, Su-Yi

2008-05-30

The permeation of binary and ternary mixtures of benzene, toluene, ethyl benzene and p-xylene through nitrile gloves were investigated using the ASTM F739 test cell. The more slowly permeating component of a mixture was accelerated to have a shorter breakthrough time than its pure form. The larger differences in solubility parameter between a solvent mixture and glove resulted in a lower permeation rate. Solubility parameter theory provides a potential approach to interpret the changes of permeation properties for BTEX mixtures through nitrile gloves. Using a one-dimensional diffusion model based on Fick's law, the permeation concentrations of ASTM F739 experiments were appropriately simulated by the estimated diffusion coefficient and solubility. This study will be a fundamental work for the risk assessment of the potential dermal exposure of workers wearing protective gloves.

Towards room temperature, direct, solvent free synthesis of tetraborohydrides

International Nuclear Information System (INIS)

Remhof, A; Yan, Y; Friedrichs, O; Kim, J W; Mauron, Ph; Borgschulte, A; Züttel, A; Wallacher, D; Buchsteiner, A; Hoser, A; Oh, K H; Cho, Y W

2012-01-01

Due to their high hydrogen content, tetraborohydrides are discussed as potential synthetic energy carriers. On the example of lithium borohydride LiBH 4 , we discuss current approaches of direct, solvent free synthesis based on gas solid reactions of the elements or binary hydrides and/or borides with gaseous H 2 or B 2 H 6 . The direct synthesis from the elements requires high temperature and high pressure (700°C, 150bar D 2 ). Using LiB or AlB 2 as boron source reduces the required temperature by more than 300 K. Reactive milling of LiD with B 2 H 6 leads to the formation of LiBD 4 already at room temperature. The reactive milling technique can also be applied to synthesize other borohydrides from their respective metal hydrides.

Binary Masking & Speech Intelligibility

DEFF Research Database (Denmark)

Boldt, Jesper

The purpose of this thesis is to examine how binary masking can be used to increase intelligibility in situations where hearing impaired listeners have difficulties understanding what is being said. The major part of the experiments carried out in this thesis can be categorized as either experime......The purpose of this thesis is to examine how binary masking can be used to increase intelligibility in situations where hearing impaired listeners have difficulties understanding what is being said. The major part of the experiments carried out in this thesis can be categorized as either...... experiments under ideal conditions or as experiments under more realistic conditions useful for real-life applications such as hearing aids. In the experiments under ideal conditions, the previously defined ideal binary mask is evaluated using hearing impaired listeners, and a novel binary mask -- the target...... binary mask -- is introduced. The target binary mask shows the same substantial increase in intelligibility as the ideal binary mask and is proposed as a new reference for binary masking. In the category of real-life applications, two new methods are proposed: a method for estimation of the ideal binary...

Solvent/Non-Solvent Sintering To Make Microsphere Scaffolds

Science.gov (United States)

Laurencin, Cato T.; Brown, Justin L.; Nair, Lakshmi

2011-01-01

A solvent/non-solvent sintering technique has been devised for joining polymeric microspheres to make porous matrices for use as drug-delivery devices or scaffolds that could be seeded with cells for growing tissues. Unlike traditional sintering at elevated temperature and pressure, this technique is practiced at room temperature and pressure and, therefore, does not cause thermal degradation of any drug, protein, or other biochemical with which the microspheres might be loaded to impart properties desired in a specific application. Also, properties of scaffolds made by this technique are more reproducible than are properties of comparable scaffolds made by traditional sintering. The technique involves the use of two miscible organic liquids: one that is and one that is not a solvent for the affected polymer. The polymeric microspheres are placed in a mold having the size and shape of the desired scaffold, then the solvent/non-solvent mixture is poured into the mold to fill the void volume between the microspheres, then the liquid mixture is allowed to evaporate. Some of the properties of the resulting scaffold can be tailored through choice of the proportions of the liquids and the diameter of the microspheres.

Solvent substitution

Energy Technology Data Exchange (ETDEWEB)

1990-01-01

The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated.

Interacting binary stars

CERN Document Server

Sahade, Jorge; Ter Haar, D

1978-01-01

Interacting Binary Stars deals with the development, ideas, and problems in the study of interacting binary stars. The book consolidates the information that is scattered over many publications and papers and gives an account of important discoveries with relevant historical background. Chapters are devoted to the presentation and discussion of the different facets of the field, such as historical account of the development in the field of study of binary stars; the Roche equipotential surfaces; methods and techniques in space astronomy; and enumeration of binary star systems that are studied

Solvents and solvent effects in organic chemistry

National Research Council Canada - National Science Library

Reichardt, C; Welton, T

2011-01-01

.../guest complexation equilibria and reactions in biphasic solvent systems and neoteric solvents, respectively. More than 900 new references have been added, giving preference to review articles, and many older ones have been deleted. New references either replace older ones or are added to the end of the respective reference list of each chapter. Th...

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

Energy Technology Data Exchange (ETDEWEB)

Delmau, L.H.

2002-10-08

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

Mixed-ligand complexes of zirconium (IV) and uranium with salicylaldehyde and some heterocyclic azopyrazolones

International Nuclear Information System (INIS)

Amrallahi, A.H.

1994-01-01

Mixed-ligand complexes of Zr(IV) and U(IV) with salicylaldehyde (SA) and some heterocyclic azopyrazolenes have been studied spectrophotometrically. All formed chelates have ratio 1:1:1. The stoichiometry and stability of the binary mixed chelates been evaluated. Elemental analysis, molar conductance and IR spectra have been used for identification of solid mixed complexes. (author)

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.

Improved Efficacy of Synthesizing *MIII-Labeled DOTA Complexes in Binary Mixtures of Water and Organic Solvents. A Combined Radio- and Physicochemical Study.

Science.gov (United States)

Pérez-Malo, Marylaine; Szabó, Gergely; Eppard, Elisabeth; Vagner, Adrienn; Brücher, Ernő; Tóth, Imre; Maiocchi, Alessandro; Suh, Eul Hyun; Kovács, Zoltán; Baranyai, Zsolt; Rösch, Frank

2018-05-21

Typically, the synthesis of radiometal-based radiopharmaceuticals is performed in buffered aqueous solutions. We found that the presence of organic solvents like ethanol increased the radiolabeling yields of [ 68 Ga]Ga-DOTA (DOTA = 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacatic acid). In the present study, the effect of organic cosolvents [ethanol (EtOH), isopropyl alcohol, and acetonitrile] on the radiolabeling yields of the macrocyclic chelator DOTA with several trivalent radiometals (gallium-68, scandium-44, and lutetium-177) was systematically investigated. Various binary water (H 2 O)/organic solvent mixtures allowed the radiolabeling of DOTA at a significantly lower temperature than 95 °C, which is relevant for the labeling of sensitive biological molecules. Simultaneously, much lower amounts of the chelators were required. This strategy may have a fundamental impact on the formulation of trivalent radiometal-based radiopharmaceuticals. The equilibrium properties and formation kinetics of [M(DOTA)] - (M III = Ga III , Ce III , Eu III , Y III , and Lu III ) complexes were investigated in H 2 O/EtOH mixtures (up to 70 vol % EtOH). The protonation constants of DOTA were determined by pH potentiometry in H 2 O/EtOH mixtures (0-70 vol % EtOH, 0.15 M NaCl, 25 °C). The log K 1 H and log K 2 H values associated with protonation of the ring N atoms decreased with an increase of the EtOH content. The formation rates of [M(DOTA)] - complexes increase with an increase of the pH and [EtOH]. Complexation occurs through rapid formation of the diprotonated [M(H 2 DOTA)] + intermediates, which are in equilibrium with the kinetically active monoprotonated [M(HDOTA)] intermediates. The rate-controlling step is deprotonation (and rearrangement) of the monoprotonated intermediate, which occurs through H 2 O ( *M(HL) k H 2 O ) and OH - ( *M(HL) k OH ) assisted reaction pathways. The rate constants are essentially independent of the EtOH concentration, but the M(HL) k H2O

Enhanced removal of lead from contaminated soil by polyol-based deep eutectic solvents and saponin

Science.gov (United States)

Mukhopadhyay, Soumyadeep; Mukherjee, Sumona; Hayyan, Adeeb; Hayyan, Maan; Hashim, Mohd Ali; Sen Gupta, Bhaskar

2016-11-01

Deep eutectic solvents (DESs) are a class of green solvents analogous to ionic liquids, but less costly and easier to prepare. The objective of this study is to remove lead (Pb) from a contaminated soil by using polyol based DESs mixed with a natural surfactant saponin for the first time. The DESs used in this study were prepared by mixing a quaternary ammonium salt choline chloride with polyols e.g. glycerol and ethylene glycol. A natural surfactant saponin obtained from soapnut fruit pericarp, was mixed with DESs to boost their efficiency. The DESs on their own did not perform satisfactory due to higher pH; however, they improved the performance of soapnut by up to 100%. Pb removal from contaminated soil using mixture of 40% DES-Gly and 1% saponin and mixture of 10% DES-Gly and 2% saponin were above 72% XRD and SEM studies did not detect any major corrosion in the soil texture. The environmental friendliness of both DESs and saponin and their affordable costs merit thorough investigation of their potential as soil washing agents.

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

Full Ionisation In Binary-Binary Encounters With Small Positive Energies

Science.gov (United States)

Sweatman, W. L.

2006-08-01

Interactions between binary stars and single stars and binary stars and other binary stars play a key role in the dynamics of a dense stellar system. Energy can be transferred between the internal dynamics of a binary and the larger scale dynamics of the interacting objects. Binaries can be destroyed and created by the interaction. In a binary-binary encounter, full ionisation occurs when both of the binary stars are destroyed in the interaction to create four single stars. This is only possible when the total energy of the system is positive. For very small energies the probability of this occurring is very low and it tends towards zero as the total energy tends towards zero. Here the case is considered for which all the stars have equal masses. An asymptotic power law is predicted relating the probability of full ionisation with the total energy when this latter quantity is small. The exponent, which is approximately 2.31, is compared with the results from numerical scattering experiments. The theoretical approach taken is similar to one used previously in the three-body problem. It makes use of the fact that the most dramatic changes in scale and energies of a few-body system occur when its components pass near to a central configuration. The position, and number, of these configurations is not known for the general four-body problem, however, with equal masses there are known to be exactly five different cases. Separate consideration and comparison of the properties of orbits close to each of these five central configurations enables the prediction of the form of the cross-section for full ionisation for the case of small positive total energy. This is the relation between total energy and the probability of total ionisation described above.

CALCULATING THE HABITABLE ZONE OF BINARY STAR SYSTEMS. I. S-TYPE BINARIES

Energy Technology Data Exchange (ETDEWEB)

Kaltenegger, Lisa [MPIA, Koenigstuhl 17, D-69117 Heidelberg (Germany); Haghighipour, Nader, E-mail: kaltenegger@mpia.de [Institute for Astronomy and NASA Astrobiology Institute, University of Hawaii-Manoa, Honolulu, HI 96822 (United States)

2013-11-10

We have developed a comprehensive methodology for calculating the boundaries of the habitable zone (HZ) of planet-hosting S-type binary star systems. Our approach is general and takes into account the contribution of both stars to the location and extent of the binary HZ with different stellar spectral types. We have studied how the binary eccentricity and stellar energy distribution affect the extent of the HZ. Results indicate that in binaries where the combination of mass-ratio and orbital eccentricity allows planet formation around a star of the system to proceed successfully, the effect of a less luminous secondary on the location of the primary's HZ is generally negligible. However, when the secondary is more luminous, it can influence the extent of the HZ. We present the details of the derivations of our methodology and discuss its application to the binary HZ around the primary and secondary main-sequence stars of an FF, MM, and FM binary, as well as two known planet-hosting binaries α Cen AB and HD 196886.

CALCULATING THE HABITABLE ZONE OF BINARY STAR SYSTEMS. I. S-TYPE BINARIES

International Nuclear Information System (INIS)

Kaltenegger, Lisa; Haghighipour, Nader

2013-01-01

We have developed a comprehensive methodology for calculating the boundaries of the habitable zone (HZ) of planet-hosting S-type binary star systems. Our approach is general and takes into account the contribution of both stars to the location and extent of the binary HZ with different stellar spectral types. We have studied how the binary eccentricity and stellar energy distribution affect the extent of the HZ. Results indicate that in binaries where the combination of mass-ratio and orbital eccentricity allows planet formation around a star of the system to proceed successfully, the effect of a less luminous secondary on the location of the primary's HZ is generally negligible. However, when the secondary is more luminous, it can influence the extent of the HZ. We present the details of the derivations of our methodology and discuss its application to the binary HZ around the primary and secondary main-sequence stars of an FF, MM, and FM binary, as well as two known planet-hosting binaries α Cen AB and HD 196886

Alcohol based-deep eutectic solvent (DES) as an alternative green additive to increase rotenone yield

Energy Technology Data Exchange (ETDEWEB)

Othman, Zetty Shafiqa; Hassan, Nur Hasyareeda; Zubairi, Saiful Irwan [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia (UKM), 43600 Bangi, Selangor (Malaysia)

2015-09-25

Deep eutectic solvents (DESs) are basically molten salts that interact by forming hydrogen bonds between two added components at a ratio where eutectic point reaches a melting point lower than that of each individual component. Their remarkable physicochemical properties (similar to ionic liquids) with remarkable green properties, low cost and easy handling make them a growing interest in many fields of research. Therefore, the objective of pursuing this study is to analyze the potential of alcohol-based DES as an extraction medium for rotenone extraction from Derris elliptica roots. DES was prepared by a combination of choline chloride, ChCl and 1, 4-butanediol at a ratio of 1/5. The structure of elucidation of DES was analyzed using FTIR, {sup 1}H-NMR and {sup 13}C-NMR. Normal soaking extraction (NSE) method was carried out for 14 hours using seven different types of solvent systems of (1) acetone; (2) methanol; (3) acetonitrile; (4) DES; (5) DES + methanol; (6) DES + acetonitrile; and (7) [BMIM] OTf + acetone. Next, the yield of rotenone, % (w/w), and its concentration (mg/ml) in dried roots were quantitatively determined by means of RP-HPLC. The results showed that a binary solvent system of [BMIM] OTf + acetone and DES + acetonitrile was the best solvent system combination as compared to other solvent systems. It contributed to the highest rotenone content of 0.84 ± 0.05% (w/w) (1.09 ± 0.06 mg/ml) and 0.84 ± 0.02% (w/w) (1.03 ± 0.01 mg/ml) after 14 hours of exhaustive extraction time. In conclusion, a combination of the DES with a selective organic solvent has been proven to have a similar potential and efficiency as of ILs in extracting bioactive constituents in the phytochemical extraction process.

Flash pyrolysis of coal-solvent slurry prepared from the oxidized coal and the coal dissolved in solvent; Ichibu yokaishita sanka kaishitsutan slurry no jinsoku netsubunkai

Energy Technology Data Exchange (ETDEWEB)

Maki, T.; Mae, K.; Okutsu, H.; Miura, K. [Kyushu University, Fukuoka (Japan). Faculty of Engineering

1996-10-28

In order to develop a high-efficiency coal pyrolysis method, flash pyrolysis was experimented on slurry prepared by using liquid-phase oxidation reformed coal and a methanol-based solvent mixture. Australian Morwell coal was used for the experiment. The oxidized coal, into which carboxyl groups have been introduced, has the condensation structure relaxed largely, and becomes highly fluid slurry by means of the solvent. Char production can be suppressed by making the oxidation-pretreated coal into slurry, resulting in drastically improved pyrolytic conversion. The slurry was divided into dissolved solution, dried substance, extracted residue, and residual slurry, which were pyrolized independently. The dissolved solution showed very high conversion. Improvement in the conversion is contributed by separating the dissolved substances (coal macromolecules) at molecular levels, coagulating the molecules, suppressing cross-link formation, and reducing molecular weight of the dissolved substances. Oxidized coal can be dissolved to 80% or higher by using several kinds of mixed solvents. As a result of the dissolution, a possibility was suggested on pyrolysis which is easy in handling and high in conversion. 7 refs., 6 figs., 2 tabs.

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

CERN Document Server

Lagowski, J J

1976-01-01

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

Binary Effect of Fly Ash and Palm Oil Fuel Ash on Heat of Hydration Aerated Concrete

Science.gov (United States)

Mehmannavaz, Taha; Ismail, Mohammad; Radin Sumadi, Salihuddin; Rafique Bhutta, Muhammad Aamer; Samadi, Mostafa

2014-01-01

The binary effect of pulverized fuel ash (PFA) and palm oil fuel ash (POFA) on heat of hydration of aerated concrete was studied. Three aerated concrete mixes were prepared, namely, concrete containing 100% ordinary Portland cement (control sample or Type I), binary concrete made from 50% POFA (Type II), and ternary concrete containing 30% POFA and 20% PFA (Type III). It is found that the temperature increases due to heat of hydration through all the concrete specimens especially in the control sample. However, the total temperature rises caused by the heat of hydration through both of the new binary and ternary concrete were significantly lower than the control sample. The obtained results reveal that the replacement of Portland cement with binary and ternary materials is beneficial, particularly for mass concrete where thermal cracking due to extreme heat rise is of great concern. PMID:24696646

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.

Strongly Iridescent Hybrid Photonic Sensors Based on Self-Assembled Nanoparticles for Hazardous Solvent Detection

Directory of Open Access Journals (Sweden)

Ayaka Sato

2018-03-01

Full Text Available Facile detection and the identification of hazardous organic solvents are essential for ensuring global safety and avoiding harm to the environment caused by industrial wastes. Here, we present a simple method for the fabrication of silver-coated monodisperse polystyrene nanoparticle photonic structures that are embedded into a polydimethylsiloxane (PDMS matrix. These hybrid materials exhibit a strong green iridescence with a reflectance peak at 550 nm that originates from the close-packed arrangement of the nanoparticles. This reflectance peak measured under Wulff-Bragg conditions displays a 20 to 50 nm red shift when the photonic sensors are exposed to five commonly employed and highly hazardous organic solvents. These red-shifts correlate well with PDMS swelling ratios using the various solvents, which suggests that the observable color variations result from an increase in the photonic crystal lattice parameter with a similar mechanism to the color modulation of the chameleon skin. Dynamic reflectance measurements enable the possibility of clearly identifying each of the tested solvents. Furthermore, as small amounts of hazardous solvents such as tetrahydrofuran can be detected even when mixed with water, the nanostructured solvent sensors we introduce here could have a major impact on global safety measures as innovative photonic technology for easily visualizing and identifying the presence of contaminants in water.

Enthalpy of mixing of liquid Ag–Bi–Cu alloys at 1073 K

International Nuclear Information System (INIS)

Fima, Przemysław; Flandorfer, Hans

2014-01-01

Highlights: • Partial and integral mixing enthalpies of liquid Ag–Bi–Cu alloys were determined. • Integral mixing enthalpies are small and endothermic, similar to limiting binaries. • The ternary data were fitted on the basis of Redlich–Kister–Muggianu model. - Abstract: The Ag–Bi–Cu system is among those ternary systems which have not been fully studied yet, in particular the thermodynamic description of the liquid phase is missing. Partial and integral enthalpies of mixing of liquid ternary Ag–Bi–Cu alloys were determined over a broad composition range along six sections: x(Ag)/x(Bi) = 0.25, 1, 4; x(Ag)/x(Cu) = 1.5; x(Bi)/x(Cu) = 1.86, 4. Measurements were carried out at 1073 K using two Calvet type microcalorimeters and drop calorimetric technique. It was found that integral enthalpies of mixing are small and endothermic, similarly to limiting binary alloys. The ternary data were fitted on the basis of an extended Redlich–Kister–Muggianu model for substitutional solutions. There are no significant additional ternary interactions

Effect of solvent on crystallization behavior of xylitol

Science.gov (United States)

Hao, Hongxun; Hou, Baohong; Wang, Jing-Kang; Lin, Guangyu

2006-04-01

Effect of organic solvents content on crystallization behavior of xylitol was studied. Solubility and crystallization kinetics of xylitol in methanol-water system were experimentally determined. It was found that the solubility of xylitol at various methanol content all increases with increase of temperature. But it decreases when increasing methanol content at constant temperature. Based on the theory of population balance, the nucleation and growth rates of xylitol in methanol-water mixed solvents were calculated by moments method. From a series of experimental population density data of xylitol gotten from a batch-operated crystallizer, parameters of crystal nucleation and growth rate equations at different methanol content were got by the method of nonlinear least-squares. By analyzing, it was found that the content of methanol had an apparent effect on nucleation and growth rate of xylitol. At constant temperature, the nucleation and growth rate of xylitol all decrease with increase of methanol content.

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

Energy Technology Data Exchange (ETDEWEB)