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Ternary CuO-ZrO 2-Al 2O 3 catalysts promoted by palladium or gold were prepared and tested in CO hydrogenation reaction at 260°C under elevated pressure (4.8 MPa). The promotion effect of palladium or gold addition on the physicochemical and catalytical properties of CuO-ZrO 2-Al 2O 3 catalysts in methanol synthesis (MS) was studied. The catalysts were characterized by BET, XRD, TPR-H 2, TPD-NH 3 methods. The BET results showed that the ternary system CuO-ZrO 2-Al 2O 3 had the largest specific surface area, cumulative pore volume and average pore size in comparison with the promoted catalysts. The yield of methanol can be given through the following sequence: 5%Pd/CuO-ZrO 2-Al 2O 3 > CuO-ZrO 2-Al 2O 3 > 2%Au/CuO-ZrO 2-Al 2O 3. We also found that the presence of gold or palladium on catalyst surface has strong influence on the reaction selectivity. The high selectivity of gold doped ternary catalyst is explained by the gold-oxide interface sites created on the catalyst surface and the acidity of those systems. The higher selectivity to methanol in the case of the palladium catalyst is explained by the spillover effect between Pd and CuO. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

Different binders of Portland cement, calcium aluminate cement and calcium sulphate (PC/CAC/C $$ {\bar{\text{S}}} $$ ) have been investigated to determinate the influence the CAC and C $$ {\bar{\text{S}}} $$ amount in the reactions mechanism. Several mixtures were studied, ratios of 100, 85/15 and 75/25 of PC/CAC with 0, 3 and 5 % of C $$ {\bar{\text{S}}} $$ . Conduction calorimetric technique was used to follow the hydration during 100 h. The XRD and FTIR techniques were used as support in the analysis of the hydration products. The results have shown that the studied ternary systems form an extra amount of ettringite, and changes in the reactions mechanism with respect to a PC. The reactions mechanism depends on the CAC and C $$ {\bar{\text{S}}} $$ amount present in the different binders. [ABSTRACT FROM AUTHOR]

Highlights: [•] Portland cement, calcium aluminate cement and calcium sulfate mixtures were hydrated. [•] We examine changes in the microstructure and dimensional variations. [•] We submitted the samples at the ambient to analyze durability. [•] The longitudinal change of samples was depending on the initial sulfate. [•] Amorphous ettringite formation but also a later developed C-S-H gel was detected. [ABSTRACT FROM AUTHOR]

Understanding the reduction behaviors and characteristics of the end products of Fe-Cr-O systems is very important not only for maximizing the recovery of metals from stainless steel dust but also for the subsequent reuse in metallurgical process. The present work first predicted the possible products thermodynamically when FeCrO was reduced by C. The reduction behaviors by graphite of three kinds of Fe-Cr-O systems, i.e., FeCrO, FeO+CrO, and Fe+CrO, were then investigated in 1350-1550°C. Further, the microstructures of final products and element distribution conditions were examined. The results suggest that, thermodynamically, the mass of products for the carbothermal reduction of FeCrO is a strong function of temperature, and the initial carbon content is used. More Fe-Cr-C solution and less residual carbon content are obtained at higher temperatures and lower n: n ratios (the initial molar ratio of C to O in the sample). Experimental data show that the sample amount tends to affect the reduction rate, and the residual carbon content strongly depends on n: n. With regard to the phases present in products during the reaction process, metal carbides tend to form in the initial stage, whereas Fe-Cr-C solution forms when the degree of reduction is sufficiently high. [ABSTRACT FROM AUTHOR]

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. [Copyright &y& Elsevier]

Abstract: The moisture sorption of ternary mixtures of biopolymer, sugar and water is investigated by means of the Free-Volume-Flory-Huggins (FVFH) theory. The earlier FVFH theory developed for binary mixtures of biopolymer/water and sugar/water has to be modified to account for two effects: 1) the change in the glass temperature due to the non-ideal mixing of biopolymer and 2) inhibition of self-association of the polymer if the mixture is quenched very fast into the glassy state. The modified FVFH theory forms a good basis for predicting moisture sorption for quaternary mixtures of biopolymers, di-, mono-saccharides and water – which can be viewed as a model for vegetables and fruits. [Copyright &y& Elsevier]

Abstract: The equilibrium quaternary solubilities of dihydroxybenzene (resorcinol+pyrocatechol+hydroquinone+SCCO2) isomers were experimentally determined at 308, 318 and 328K over a pressure range of 9.8–15.7MPa by using a saturation method. The effects of temperature, pressure and the components on each other have been thoroughly investigated. The selectivity of SCCO2 for ternary (resorcinol+pyrocatechol+SCCO2) and quaternary systems was discussed. A new model equation for quaternary solubilities of solids has been developed by accounting for non-idealities by combining the solution model with Wilson activity coefficient model. The model equation has five adjustable parameters and correlates the quaternary solubilities of current data along with two other quaternary data reported in the literature. [Copyright &y& Elsevier]

Conventional and effective interdiffusion coefficients have been determined in a Cu-Fe-Ni system for 1000°C based on our experimental data [13] on the distribution of concentrations of components in six diffusion couples of this system. The possibilities of applying these coefficients to interpret peculiar features of interdiffusion in ternary systems are analyzed. It has been demonstrated that effective interdiffusion coefficients are in a certain correlation with thermodynamic characteristics of the system. [ABSTRACT FROM AUTHOR]

Interdiffusion in a Cu-Ni-Fe system was studied at a temperature of 1000°C for three different diffusion couples. It has been shown that, in the studied diffusion couples, the distributions of some components of the system have a distinctly nonmonotonous character and, apart from the local extremes of the concentration curves, there are also zero flux planes in five diffusion zones. Special features of the behavior of the concentration curves and diffusion paths are discussed using thermodynamic data for the system. It has been found that diffusion fluxes of the components are unambiguously associated with a derivative of thermodynamic activity by the concentration taken along the diffusion path. There are experimental data in the appendix concerning the concentration profiles for all of the studied components of the diffusion couples. [ABSTRACT FROM AUTHOR]

Densities of the ternary system dimethyl carbonate + butyl methacrylate + allyl methacrylate and its binary subsystem butyl methacrylate + allyl methacrylate have been measured in the whole composition range, at 293.15 K and atmospheric pressure, using an Anton Paar DMA 5000 oscillating U-tube densimeter. The calculated excess molar volumes of the binary system are positive and were correlated with the Redlich-Kister equation and with a series of Legendre polynomials. Several models were used to correlate ternary behavior from the excess molar volume data of their constituent binaries and found to fit the data equally well. The best fit was based on a direct approach, without information on the component binary systems. [ABSTRACT FROM AUTHOR]

The solid-liquid equilibria of the ternary system HO-Cu(NO)-Al(NO) were studied by using a synthetic method based on conductivity measurements. Five isotherms between 10 and 50 °C were established and stoichiometric phases which appear are, respectively: At 10 and 20 °C: Al(NO)·9HO and Cu(NO)·6HO. At 30, 40, and 50 °C: Al(NO)·9HO and Cu(NO)·3HO. [ABSTRACT FROM AUTHOR]

Abstract: Alzheimer’s disease is characterized by the loss of synapses and by the presence of extra-cellular amyloid β-peptide (Aβ) plaques, and it has been associated to copper metabolism. The plasma of patients with Alzheimer’s disease presents higher levels of the amino acid homocysteine (hCys). In this study, three new ternary complexes of copper(II) with homocysteine and three amino acids of Aβ (aspartate, glutamate or methionine) were studied both in solution (pH-potentiometry and UV–Vis) and in the solid state (CHNS, AAS, TGA, EPR, and FT-IR). Molar conductance and electrochemical (CV) measurements were carried out as well. The binary complex [Cu(hCys)2] was also synthesized and characterized. For the ternary complexes, the values of the stability constants (log β equal to 25.62 for CuAsphCys, 23.53 for CuGluhCys, and 18.61 for CuMethCys) are similar to those of the cysteine-containing ternary complexes CuAspCys and CuGluCys, recently reported by us, indicating a related N2OS coordination. The results found in the solid state are in agreement with the data found in solution studies whereby methionine, aspartic, and glutamic acids coordinate to copper(II) ion through the nitrogen atom of the amino group and one oxygen atom of the α-carboxylate group, and homocysteine coordinates through nitrogen and sulfur atoms. EPR data suggest that, in solution, the complexes are in a distorted tetrahedral geometry. [Copyright &y& Elsevier]

Excess molar enthalpies for two ternary mixtures of { x tributylphosphate (TBP) + x water + x methanol/ethanol} were measured at T = 298.15 K and atmospheric pressure using a TAM Air isothermal calorimeter, by mixing methanol or ethanol with binary mixtures of (water + TBP). Excess enthalpies for initial binary mixtures of (water + TBP) were also measured under the same conditions, which showed phase separation at low molar fraction of TBP. Experimental results of the ternary mixtures were expressed with constant excess molar enthalpy contours on Roozeboon diagrams. [ABSTRACT FROM AUTHOR]

Abstract: The unique physical properties of ionic liquids play a decisive part in many of their applications. Therefore, the ability to predict the physical properties of ionic liquids is extremely important for the rational design of proper ionic liquids with specific properties. In practice, the processes involving ionic liquids usually contain other components, in addition to the ionic liquids. Therefore, in addition to pure component properties, knowledge of the physical properties of mixtures are also crucial for various applications. In the present study, the feasibility of using a feed-forward multi-layer perceptron neural network (MLPNN) model was investigated to predict the electrical conductivity of the ternary mixtures of 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6])+water+ethanol and [bmim][PF6]+water+acetone in the temperature range from 288.15K to 308.15K, consisting of 104 data points. Not only were different networks, namely the linear and the hyperbolic tangent sigmoid transfer functions, considered in this study, but also the effects of the number of hidden layers, hidden neurons and the training algorithm were investigated on the accuracy of the results using 78 data points as training data to minimize the average absolute relative deviation percent (AARD%), mean square error (MSE) and correlation coefficient (R 2). Among the various cases studies, statistical analyses indicated the best configuration of the network to include one hidden layer and seven neurons in the hidden layer. The optimum network was then validated using 26 data points (test data) not used in the training stage which indicated the good interpolative ability of the trained network with AARD%=1.44, MSE=2.87×10−8 and R 2 =0.9981. [Copyright &y& Elsevier]

Abstract: Hyperbranched polymers get more and more interesting for several applications due to their tailor-made properties influenced by the architecture and the functional groups of the polymer. The liquid–liquid phase behavior of hyperbranched polymer solutions is an important issue for various applications. Until now, the calculations of these phase equilibria are limited to solutions of hyperbranched polymers in a single solvent using Lattice Cluster theory (LCT). The LCT permits the incorporation of the architecture of the polymer directly in thermodynamic properties, as the Helmholtz energy, without any additional adjustable parameter. This papers aims at the extension of the LCT to ternary systems made from hyperbranched polymer (Boltorn H20), water and propanol. The derived expression for the Helmholtz energy allows for the first time the prediction of miscibility gaps in the ternary system based on experimental data of the binary subsystems. Additionally to the architecture of hyperbranched polymers also the functional groups of hyperbranched polymers play an important role in phase equilibrium. In order to include the association phenomena in the theoretical framework, a modified version of the Wertheim association theory is used. However, during the application of this approach the model lost its predictive power, because ternary data must be used for the parameter estimation procedure. Nevertheless, the combined theory is able to model the experimental phase behavior within the experimental accuracy. [Copyright &y& Elsevier]

By a mean field theoretical computation, the equilibrium distributions of additional Ag and Al in the crystalline phase of CuZr-based alloys were determined to occupy the two sublattices of the B2 structure randomly. With the molecular dynamics technique, the effects of Ag and Al on the enthalpy difference (Δ H) between the supercooled melt and the crystalline phase were evaluated. The improved glass forming ability of CuZrAl and CuZrAg can be attributed to their remarkably smaller Δ H than that of CuZr. The calculated diffusion coefficients are more sensitive to the atomic weight of the component atoms than to their interaction strength. As the component atom with the largest mass, the additional Ag increases the viscosity of the supercooled melt significantly and the experimentally stronger glass formation ability of CuZrAg than CuZrAl can be well understood. [ABSTRACT FROM AUTHOR]

Safety assessments for radioactive waste disposal require estimations of the migration of radionuclides in soils. The influence of humic acid (HA) on the sorption of uranium in its +4 oxidation state to kaolin has been examined from pH 4 to 8, with HA concentrations of 15-200 ppm. In the absence of HA, 20-40% of the U(IV) was in solution, with more sorption occurring at higher pH. The presence of HA solubilised up to 90% of the uranium with higher solubilities at higher HA concentrations and higher pH values. Uranium sorption was mapped against HA sorption, and it was found that there was a lower level of U(IV) sorption than can be accounted for by just measuring HA sorption. However, this effect got less marked as the pH rose. Sensitivity analysis indicated that the fraction of surface-bound HA is the controlling parameter for modelling in these systems. [ABSTRACT FROM AUTHOR]

Abstract: Cu2SnS3 thin film have been synthesized by solid state reaction under vapour sulphur pressure at 530 °C, during 6 h, via a sequentially deposited copper and tin layers Cu/Sn/Cu…Sn/Cu/Sn. The structure and the composition were characterized by X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Electron Probe Micro Analysis (EPMA). X-ray diffraction revealed that as the deposited film crystallizes in the cubic structure and the crystallites exhibit preferential 111 orientation of the grains. Moreover, EPMA analysis confirmed that the obtained film is stoichiometric. The SEM study shows the presence of spherical particles of ≈100–120 nm diameters. The optical absorption coefficient and band gap of the film were estimated by means of transmission and reflection optical measurements at room temperature. A relatively high absorption coefficient in the range of 104 cm−1 was indeed obtained and the band gap value is of the order of 1.1 eV. On the other hand, the electrical conductivity of Cu2SnS3 film prepared in the present experiment is suitable for fabricating a thin film solar cell based on not cheaper and environmental friendly material. [Copyright &y& Elsevier]

We studied the intermolecular interactions in ternary glycerol (Gly)-sample (S)-HO systems at 25 °C. By measuring the excess partial molar enthalpy of Gly, $H_{\mathrm{Gly}}^{\mathrm{E}}$, we evaluated the Gly-Gly enthalpic interaction, $H_{\mathrm{Gly}\mbox{--}\mathrm{Gly}}^{\mathrm{E}}$, in the presence of various samples (S). For S, tert-butanol (TBA), 1-propanol (1P), urea (UR), NaF, NaCl, NaBr, NaI, and NaSCN were used. It was found that hydrophobes (TBA and 1P) reduce the values of $H_{\mathrm{Gly}\mbox{--}\mathrm{Gly}}^{\mathrm{E}}$ considerably, but a hydrophile (UR) had very little effect on $H_{\mathrm{Gly}\mbox{--}\mathrm{Gly}}^{\mathrm{E}}$. The results with Na salts indicated that there have very little effect on $H_{\mathrm{Gly}\mbox{--}\mathrm{Gly}}^{\mathrm{E}}$. This contrasts with our earlier studies on 1P-S-HO in that Na, F and Cl are found as hydration centers from the induced changes on $H_{\mathrm{IP}\mbox{--}\mathrm{IP}}^{\mathrm{E}}$ in the presence of S, while Br, I, and SCN are found to act as hydrophiles. In comparison with the Hofmeister ranking of these ions, the kosmotropes are hydration centers and the more kosmotropic the higher the hydration number, consistent with the original Hofmeister's concept of 'HO withdrawing power.' Br, I and SCN, on the other hand, acted as hydrophiles and the more chaotropic they are the more hydrophilic. These observations hint that whatever effect each individual ion has on HO, it is sensitive only to hydrophobes (such as 1P) but not to hydrophiles (such as Gly). This may have an important bearing towards understanding the Hofmeister series, since biopolymers are amphiphilic and their surfaces are covered by hydrophobic as well as hydrophilic parts. [ABSTRACT FROM AUTHOR]

thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO-HO and NaF-HO binary solutions and NaClO-NaF-HO ternary strong electrolyte aqueous solutions was developed based on the ion and molecule coexistence theory (IMCT). A transformation coefficient was needed to compare the calculated mass action concentration and the reported activity, because they were usually obtained at different standard states and concentration units. The results show that transformation coefficients between the calculated mass action concentrations and the reported activities of the same components change in a very narrow range. The transformed mass action concentrations of structural units or ion couples in NaClO-HO and NaF-HO binary solutions agree well with the reported activities. The transformed mass action concentrations of structural units or ion couples in NaClO-NaF-HO ternary solution are also in good agreement with the reported activities in a total ionic strength range from 0.1 to 0.9 mol/kg HO by the 0.1 mol/kg step with different ionic strength fractions of 0, 0.2, 0.4, 0.5, 0.6, 0.8, and 1, respectively. The results indicate that the developed thermodynamic model can reveal the structural characteristics of binary and ternary strong electrolyte aqueous solutions, and the calculated mass action concentrations of structural units or ion couples also strictly follow the mass action law. [ABSTRACT FROM AUTHOR]

An analytic method is proposed to calculate the formation enthalpy directly from empirical n-body potential and applied to the binary and ternary systems consisting of the refractory metals Mo, Nb, Ta and W. It turns out that the calculated enthalpies are in overall agreement with experimental observations and some other theoretical calculations. Interestingly, it shows that the formation enthalpies of the ternary systems are significantly affected by those of the constituent binary systems. [ABSTRACT FROM AUTHOR]

Abstract: The interfacial and micellization properties of binary and ternary mixtures of Gemini homologues, viz., tetramethylene-1,4-bis(N-hexadecyl-N,N-dimethylammonium bromide), pentamethylene-1,5-bis(N-hexadecyl-N,N-dimethylammonium bromide), and hexamethylene-1,6-bis(N-hexadecyl-N,N-dimethylammonium bromide), with various compositions were investigated at 25°C using conductometric and tensiometric measurements. The micellar and adsorption characteristics like composition, activity coefficients, mutual interaction parameter, minimum area per molecule, free energy of micellization and adsorption have been evaluated and compared. The ideality/nonideality of the mixed micelles were tested in light of Clint, Rubingh, and Rubingh–Holland approaches. The mixed systems were found to undergo synergistic interaction, more so in mixed monolayer than in mixed micelle formation, and the micellar and interfacial properties were found to depend on the selection of surfactant pairing. [Copyright &y& Elsevier]

Abstract: Knowledge of diffusion coefficients in liquids is of great importance for the calculation and simulation of mass transfer processes. In the literature, only a few models for multicomponent diffusion coefficients are found. Due to lack of experimental multicomponent diffusion data, these models have not been verified for real systems until now. To overcome this limitation, multicomponent diffusivities were measured within the whole concentration space of four ternary systems. Fick diffusivities were transformed to less concentration dependent Maxwell–Stefan diffusivities using the thermodynamic correction factor. Four prediction models were tested by comparing predicted values with experimental data. In systems with nearly ideal thermodynamic behavior, multicomponent diffusion prediction shows promising results. In strongly non-ideal systems, all tested prediction models show large deviations. Thus, the quality of predicted diffusion coefficients strongly depends on an accurate thermodynamic description of the system. [Copyright &y& Elsevier]

Abstract: The effect of two water-soluble polymers: pectin and polyvinylpyrrolidone in combination with β-cyclodextrin, on the dissolution, bioavailability and cysticidal efficacy of albendazole was evaluated using a commercial suspension as reference product. The dissolution of the albendazole–β-cyclodextrin–pectin formulation was slow and incomplete (44.7%). No statistical differences in C max and AUC were found between this formulation and the reference. Also its cysticidal efficacy (33%) was similar to the reference (38%). The albendazole–β-cyclodextrin–polyvinylpyrrolidone formulation exhibited the highest dissolution rate (78.5%) and its bioavailability was also significantly increased (2.3-fold). In addition, the cysticidal activity of this formulation (83%) was greater than a commercial suspension. Our results suggest that the ternary system of albendazole–β-cyclodextrin–polyvinylpyrrolidone could be a potential alternative for the treatment of systemic helmintic diseases and it is worth to continue its preclinical evaluation. [Copyright &y& Elsevier]

Abstract: We present a detailed study of the effects of ternary mixing on blend morphology, charge carrier mobility and organic solar cell performance. We investigate ternaries consisting of regio random poly(3-hexylthiophene) (P3HT), regio regular P3HT and soluble fullerene derivative, PCBM. By means of absorption, photoluminescence, atomic force microscopy and X-ray diffraction, we demonstrate that the structure of ternary films consists of crystallites of regular P3HT embedded into a random polymer matrix acting as a soft scaffolding where PCBM can only form nanoscale aggregates but cannot grow the detrimental micron-sized structures often observed in the conventional regular P3HT:PCBM case upon annealing. The ternary films exhibit higher degree of crystallinity than the conventional blends, but with smaller crystallite sizes. Moreover, we show that the addition of the random polymer chains does not prevent good charge carrier transport for regio random P3HT concentrations up to 50% of the total polymer content. Finally, we prove that solar cells based on the ternary systems have a similar short circuit current than the conventional binary, but improved open circuit current (by ∼100mV), which leads to an overall enhancement of power conversion efficiency. [Copyright &y& Elsevier]

Ternary systems consisting of monoterpenes ( α-pinene or d-limonene), tert-butanol and water were used as reaction media to enhance the catalytic performance of laccases from various fungi sources ( Trametes versicolor, T. hirsuta and Botrytis cinerea). The enzymes had improved catalytic efficiency (5- to 10-fold) in α-pinene-rich environment, while optimal reaction rates were in high-water content systems (15.5% v/v). The stability of laccases was significantly improved in monoterpene-based systems (up to 90% residual enzyme activity after 24 h at 30°C) in comparison with other non-conventional media. The results indicate that these ternary systems can increase the potential of laccases as catalysts for various oxidations. [ABSTRACT FROM AUTHOR]

Abstract: The ternary system methanol-n-hexane-cyclohexane (MeOH-Hex-CH) has been investigated at the col point in order to look for indications of critical exponent renormalization. Ultrasonic spectroscopy, quasielastic light scattering, and shear viscosity measurement have been performed as a function of temperature and have been evaluated in terms of existing theories for binary critical systems. When compared to the results for the limiting binary mixtures MeOH-Hex and MeOH-CH it is found that, as a function of reduced temperature, both the fluctuation correlation length and the relaxation rate of fluctuations of the ternary mixture display power law behaviour with critical exponents as applying to binary systems near their consolute point. Also the experimental scaling function of the ultrasonic attenuation spectrum agrees well with the Bhattacharjee–Ferrell theory for binary mixtures. Hence with respect to power laws and scaling the MeOH-Hex-CH mixture at col point composition behaves like a quasibinary system. The individual parameters of the ternary system fit to the data for the systems MeOH-Hex and MeOH-CH. [Copyright &y& Elsevier]

Abstract: The activity coefficients of sodium chloride in the NaCl+NaBF4 +H2O ternary system were experimentally determined at 298.15K, at ionic strengths of 0.3. 0.5, 1, 2 and 3molkg−1 from emf from the bi-ISE cell without liquid junction: The activity coefficients were fit to the Harned, Scatchard, Pitzer and Lim-HOLL models and compared to those of similar systems such as NaCl+NaClO4 +H2O and NaCl+NaNO3 +H2O. Other related magnitudes, such as the activity coefficients in trace quantities, osmotic coefficients, activity of water, and change in excess Gibbs energy of mixing, were evaluated and discussed in terms of ion–ion and ion–solvent interactions. [Copyright &y& Elsevier]

Abstract: (Liquid+liquid) equilibria and tie lines for the ternary systems of (water+phosphoric acid+1-butanol) and (water+phosphoric acid+butyl acetate) were measured at T =308.2K. The experimental ternary (liquid+liquid) equilibrium data were correlated with the UNIQUAC model. The reliability of the experimental tie lines was confirmed using Othmer–Tobias correlation. The average root-mean-square deviation (RMSD) values of (water+phosphoric acid+1-butanol) and (water+phosphoric acid+butyl acetate) systems were 2.17% and 2.16%, respectively. Distribution coefficients and separation factors were measured to evaluate the extracting capability of the solvents. The results show that butyl acetate may be considered as a reliable organic solvent for the extraction of phosphoric acid from aqueous solutions. [Copyright &y& Elsevier]

Abstract: In this paper, we report experimental densities, dynamic viscosities, and refractive indices and their derived properties of the ternary system (1-butyl-3-methylimidazolium methylsulphate+ethanol+water) at T =298.15K and of its binary systems 1-butyl-3-methylimidazolium methylsulphate with ethanol and with water at several temperatures T =(298.15, 313.15, 328.15)K. These physical properties have been measured over the whole composition range and at 0.1MPa. Excess molar volumes, viscosity deviations, and excess free energy of activation for the binary systems at the abovementioned temperatures, were calculated and fitted to the Redlich–Kister equation to determine the fitting parameters and the root-mean-square deviations and for the ternary systems were calculated and fitted to Cibulka, Singh et al., and Nagata and Sakura equations. The ternary excess properties were predicted from binary contributions using geometrical solution models. Refractive indices were measured from T =298.15K over the whole composition range for the binary and ternary systems. The results were used to calculate deviations in the refractive index. [Copyright &y& Elsevier]

Abstract: The density, dynamic viscosity, and refractive index of the ternary system (ethanol+water+1,3-dimethylimidazolium methylsulphate) at T =298.15K and of its binary systems 1,3-dimethylimidazolium methylsulphate with ethanol and with water at several temperatures T =(298.15, 313.15, and 328.15)K and at 0.1MPa have been measured over the whole composition range. From these physical properties, excess molar volumes, viscosity deviations, refractive index deviations, and excess free energy of activation for the binary systems at the above mentioned temperatures, were calculated and fitted to the Redlich–Kister equation to determine the fitting parameters and the root-mean-square deviations. For the ternary system, the excess properties were calculated and fitted to Cibulka, Singh et al., and Nagata and Sakura equations. The ternary excess properties were predicted from binary contributions using geometrical solution models. [Copyright &y& Elsevier]

Abstract: To investigate the possibility of carrying out a reaction in the medium ionic liquid/supercritical CO2 as mixed solvents, the solubility of carbon dioxide in the mixture 1-butyl-3-methylimidazolium tetrafluoroborate (bmim[BF4])+1-(4-isobutylphenyl)-ethanol has been investigated. Measurements were carried out in a Cailletet apparatus at pressures up to 14MPa. In the temperature range from 278K to 368K, the solubility of CO2 in the mixture was found to slightly decrease in comparison with the solubility in pure bmim[BF4]. The effect of the solute nature has been investigated by comparing the results with two other ternary systems previously investigated, with 4-isobutylacetophenone and 1-phenylethanol as organic solutes. The results have shown that even similar molecules can affect the solubility of CO2 in the bmim[BF4]+organic mixture in different ways, with higher solubility of carbon dioxide for ketones as solute rather than an alcohol and that the addition of an alkyl group to solute molecules with the same functional group will most likely facilitate carbon dioxide solubility. [Copyright &y& Elsevier]

Abstract: Surfactant free ternary systems formulated with organic solvents such as α-pinene or n-hexane, short chain alcohols and water, were used as new reaction media to maximize the catalytic performance of chloroperoxidase from Caldariomyces fumago (CPO) towards the oxidation of hydrophobic compounds including olefins and terpenols. The influence of the composition and the hydration state of the system, the nature of the oxidizing agent as well as substrate availability on the catalytic behavior and stability of the enzyme was investigated, using the chlorination of monochlorodimedone (MCD) and the epoxidation of styrene as model reactions. Based on residual chlorination activity measurements, which were in accordance with differential scanning calorimetry (DSC) findings, it was concluded that in low water systems formulated with α-pinene CPO stability is significantly increased compared to other reaction media (up to 65% residual activity after 24h of incubation at 30°C). Electron paramagnetic resonance (EPR) spectroscopy indicated that in low water content systems the ferric environment of the active site of CPO does not undergo severe modifications. Total turnover numbers (TTN) obtained for the oxidation of various olefins and terpenols in α-pinene-based systems, were up to 25,000 which is 2–170 times higher than previously reported values. The results indicate that such ternary systems can be efficiently employed as reaction media leading to highly enhanced stability and increase CPO potential as practical catalyst for oxidation of large amounts of hydrophobic compounds in a single-step biocatalytic process. [Copyright &y& Elsevier]

Batch and column biosorption of La3+ (lanthanum) and Eu3+ (europium) was studied using protonated Sargassum polycystum biomass. The ion exchange sorption mechanism was confirmed by the proportional release of protons and by the total normality of the solution, which remained constant during the process. Equilibrium isotherms were determined for the binary systems, La/H and Eu/H for a total normality of 3meqg−1, which produced separation factors of 2.7 and 4.7, respectively, demonstrating a higher affinity of the biomass towards europium. Column runs with a single metal feed were used to estimate the intra-particle mass transfer coefficients for La and Eu (6.0×10−4 and 3.7×10−4 min−1, respectively). Modeling batch and column binary systems with proton as the common ion was able to predict reasonably well the behavior of a ternary system containing protons. The software FEMLAB was used for solving the set of coupled partial differential equations. Moreover, a series of consecutive sorption/desorption runs demonstrated that the metal could be recovered and the biomass reused in multiple cycles by using 0.1N HCl with no apparent loss in the biosorbent metal uptake capacity. [Copyright &y& Elsevier]

Abstract: Isothermal vapor–liquid equilibria measurements for binary and ternary mixtures containing carbon dioxide, 1-heptanol, and n-pentadecane at the temperatures of 298.15 and 316.15K are reported. Phase equilibria measurements were made in a high-pressure visual cell with variable volume based on the static-analytical method. Both binary systems exhibit type III phase behavior, according to the classification of van Konynenburg and Scott. The phase equilibrium in the binary systems was correlated with the Soave–Redlich–Kwong (SRK) equation of state coupled with the Huron–Vidal infinite dilution (HVID) mixing rules. The parameters for the binary mixtures are further used to predict the phase equilibria of the ternary system n-pentadecane+1-heptanol+carbon dioxide. Validation of the predictions was achieved by comparison with experimental results. The model has the capability to predict the cosolvency effect. [Copyright &y& Elsevier]

Abstract: Liquid–liquid equilibrium (LLE) data for the ternary systems water+1-butanol+methyl methacrylate or butyl methacrylate or isobutyl methacrylate were determined at atmospheric pressure and at 288.15K and 318.15K. From these new LLE data, we can find that very small amounts of the organic compounds were found in the aqueous phase, while water dissolved appreciably in the organic-rich phase. The reliability of the experimental tie-line data has been tested through the Othmer–Tobias and Bachman plots. The experimental data were also compared with the values correlated by the NRTL and UNIQUAC models. Good agreement was obtained with these models. In general, the average deviations from the UNIQUAC model are slightly smaller than those from the NRTL model. [Copyright &y& Elsevier]

A simple genetic algorithm for the numerical evaluation of binodal curves in ternary systems polymer–liquid (1)–liquid (2) and polymer (1)–polymer (2)–solvent is presented. The technique exploits a specifically developed restarting technique based on a combined elitist and zooming strategy on the last population at each iteration. The objective function (fitness) is represented by the weighted sum of the squared differences of chemical potentials of the two phases of each component, obtained evaluating first derivatives of Gibbs free energy of the mixture with respect to the number of moles of the components. The method proposed (a) is numerically stable since it does not require the evaluation of first derivatives of the objective function and (b) can be applied in a wide range of cases changing the equation of state. Several comparisons with simplified iterative procedures presented in the past in the technical literature both for mixtures of two polymers with identical characteristics in a solvent and for mixtures of solvent–nonsolvent–polymer with solvent–polymer interaction parameter equal to zero are reported. Finally, a comparison between present results and the “alternating tangent approach” is reported for two technically meaningful binary systems, when a simplified PC-SAFT equation of state is adopted. The comparisons show that reliable results can be obtained by means of the algorithm proposed and suggest that the procedure presented can be used for practical purposes. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2007 [ABSTRACT FROM AUTHOR]

Abstract: Excess molar volumes, have been evaluated from density measurements over the entire composition range for ternary liquid system of ionic liquid (1-ethyl-3-methyl-imidazolium diethylenglycol monomethylether sulphate {[EMIM][CH3(OCH2CH2)2OSO3]) (1)+methanol (2)+water (3)} at T =(298.15, 303.15, and 313.15)K. A vibrating tube densimeter was used for these measurements at atmospheric pressure. The values were found to be negative at T =(298.15 and 303.15)K. For {[EMIM][CH3(OCH2CH2)2OSO3] (1)+methanol (2)+water (3)} at T =313.15K the values become positive at higher mole fraction of ionic liquid and at a corresponding decrease in mole fraction of water. All the experimental data were fitted with the Redlich–Kister equation. The results have also been analysed in term of graph theoretical approach. [Copyright &y& Elsevier]

Isothermal titration calorimetry (ITC) has been used to develop a method to construct the solid-liquid equilibrium line in ternary systems containing the solute to precipitate and an aqueous mixed solvent. The method consists in measuring the heat of dissolution of a solid component (the solute) during successive additions of the liquid solvent. The cumulated heat, resulting from the successive heat peaks obtained for the different injections of known volumes of solvent, plotted vs. the ratio of the numbers of moles n solvent / n solute is represented by two nearly straight lines. The intersection of the two lines gives the solubility limit and the corresponding enthalpy of dissolution of the solute in the solvent. Phase diagrams have been established at 303.15 K in binary mixed solvents ethanol-water over the whole concentration range for four components of pharmaceutical interest, namely: caffeine, nicotinamide, nicotinic acid and salicylic acid. [ABSTRACT FROM AUTHOR]

Abstract: Liquid–liquid equilibrium (LLE) data for the systems water+1-propanol+methyl methacrylate, butyl methacrylate, and isobutyl methacrylate were determined at atmospheric pressure over a temperature range of 288.15–318.15K. The areas of two-phase region decrease with increasing temperature for each ternary system and decrease in the mixture containing methyl methacrylate>butyl methacrylate or isobutyl methacrylate. The reliability of the experimental tie-line data has been tested with the Othmer–Tobias and Bachman correlations. The experimental data were also compared with the values calculated by the NRTL and UNIQUAC models. Good agreement was obtained with these models. In general, the average deviations from the NRTL model are slightly smaller than those from the UNIQUAC model. [Copyright &y& Elsevier]

Isothermal titration calorimetry (ITC) has been used to develop a method to construct the solid-liquid equilibrium line in ternary systems containing the solute to precipitate and an aqueous mixed solvent. The method consists in measuring the heat of dissolution of a solid component (the solute) during successive additions of the liquid solvent. The cumulated heat, resulting from the successive heat peaks obtained for the different injections of known volumes of solvent, plotted vs. the ratio of the numbers of moles n solvent/ n solute is represented by two nearly straight lines. The intercept of the two lines gives the solubility limit and the corresponding enthalpy of dissolution of the solute in the solvent. Solubility diagrams have been established at 303.15 K in binary mixed solvents ethanol-water over the whole concentration range for seven compounds of pharmaceutical interest, namely: urea, phenylurea, l-valine, dl-valine, l-valine ethyl ester hydrochloride, tris(hydroxymethyl)amino methane. [ABSTRACT FROM AUTHOR]

Abstract: Mechanical alloying (MA) is a process that has proven to be a versatile tool to produce nanostructured composites and alloys from normally immiscible materials. The process parameters can be varied to control the degree of alloying and the microstructure characteristics, so it is possible to produce magnetic materials with novel properties. The phase diagrams of Ni–Ag and Fe–Ag show that mutual solubility is very low in both solid and liquid states. However, partial solid solution has been found in these systems prepared by sputtering [N. Kataoka, K. Sumiyama, Y. Nakamura, J. Phys. F: Metal. Phys. 15 (1985) 1405–1411] and also by mechanical alloying [S. Nasu, S. Morimoto, H. Tanimoto, B. Huang, T. Tanaka, J. Kuyama, K.N. Ishihara, P.H. Shingu, Hyperfine Interact. 67 (1991) 681–686]. The ball milling process as a non-equilibrium technique can force the mixing of immiscible systems. We report a study on the Fe–Ni–Ag system by mechanically alloying the individual powders in different compositions Fe x –Ni x –Ag100−2x (x =20, 40, 60) and also by preparing the solid solution (Fe, Ni) compound by mechanical alloying the powders for 50h and then this pre-alloyed powder is further mechanically alloyed with Ag in different proportion to obtain the alloy (FeNi) x Ag100−x . The system prepared by the alloying of the three elements show inmiscibility with Ag, but in the pre-alloyed FeNi further addition of silver seems to diffuse into the FeNi lattice indicating a partial solubility of Ag into the FeNi. [Copyright &y& Elsevier]

Abstract: The aim of this work was the characterization of the ternary phases and of those coming from the corresponding binary systems in the Zr–Nb–Fe diagram by means of Mössbauer spectroscopy. This is part of a complete study involving a tentative isothermal section at 900°C of the center of the Zr–Nb–Fe diagram which will be published elsewhere. Zr–Nb–Fe alloys with Nb contents between 5 and 50at% and Fe contents between 10 and 60at% were analyzed after a heat treatment at 900°C for 4month. Mössbauer characterization of the phases was complemented by optical and scanning electron microscopies, X-ray diffraction and electron microprobe analysis. From the obtained results it can be inferred that Fe in both of the Laves phases present in this system (Zr(FeNb)2 and (ZrNb)Fe2) sees different environments, producing quadrupole splitting and hyperfine field distributions, respectively. Two types of body centered cubic β phases (Zr-rich and Nb-rich) were found having noticeable differences in their Mössbauer parameters. Furthermore it was shown that the ternary Fe(NbZr)2 compound would show magnetic character at low temperatures.Concentration dependence of the hyperfine parameters and their relations with the lattice parameters contributed to the structural characterization of the phases. [Copyright &y& Elsevier]

Abstract: Densities of the ternary system toluene+butyl acrylate+methyl methacrylate and its three binaries have been measured in the whole composition range, at 298.15K and atmospheric pressure using an Anton Paar DMA 5000 oscillating U-tube densimeter. The calculated excess molar volumes are positive for the binary systems toluene+methyl methacrylate and butyl acrylate+methyl methacrylate and negative for the system toluene+butyl acrylate. The corresponding data were correlated with the Redlich–Kister equation and with a series of Legendre polynomials. Several empirical equations were used to correlate the ternary behavior from the excess molar volume data of their constituent binaries and were found equally good to fit the data. The best fit was based on a direct approach, without information on the component binary systems. [Copyright &y& Elsevier]

An addition of a small amount of non‐solvent tetrahydrofuran (THF) to good solvent water gave rise to a strong solvent power for poly(N‐vinylpyrrolidone) (PVP). It was found that PVP coils in mixtures of water and THF first swelled as the fraction of THF was increased, and then the coils contracted after a critical composition of the solvent mixture based on the measurement of dilute solution viscosities. It was reached that the power of the mixed solvents was not the simple average of the power of individual components. The influence of the non‐ideal mixing of water and THF on the power of these mixtures for PVP and the dimensions of PVP coils was taken into account. Especially the formation of pseudo‐clathrate hydrate structure with the composition φTHF ≈ 0.44 was found to be an important factor to change the solvation and dimensions of PVP coils. Some other solvent mixtures for PVP and poly(methyl methacrylate) (PMMA) were also found to be non‐ideal mixtures. The viscosities of these solvent mixtures could show positive or negative deviation from the values obtained from the addition rule. It was shown again that the influence of the non‐ideality of these solvent mixtures on the dimensions of polymer coils was great. The action of mixed solvents changed the dimension of polymer coils, not only because of excluded volume effects but also because of the different molecular interactions present in these mixed solvents. [ABSTRACT FROM AUTHOR]

Abstract: In this review, the phase behavior of lipids in ternary and higher systems was analyzed to determine the effect of operating parameters and feed composition on solubility behavior and separation efficiency. The ternary systems studied included two triglycerides (TG) (trilaurin (LLL)/tripalmitin (PPP), trimyristin (MMM)/PPP and LLL/MMM), two fatty acids (FA) (oleic acid (OA)/linoleic acid (LA)), two fatty acid methyl esters (FAME) (methyl myristate (MeM)/methyl palmitate (MeP) and methyl oleate (MeO)/methyl linoleate (MeL)), FA/TG (OA/triolein (OOO)) and FAME/FA (MeO/OA) in SCCO2. The quaternary and quinary systems analyzed contained three TG (LLL/MMM/PPP), three glycerides (monoolein (MO)/diolein (DO)/OOO) and four TG (PPP/palmitoyl-dioleoylglycerol (POO)/oleoyl-dipalmitoylglycerol (PPO)/OOO), respectively, in SCCO2. While solubility of the less soluble component increased in ternary systems of solid triglycerides in SCCO2, that of the more soluble component decreased or was not affected. Solubility diminution was observed for both solutes in some liquid mixtures such as fatty acid (oleic acid/linoleic acid) and fatty acid ester (methyl oleate/methyl linoleate) mixtures. Solubility enhancement for one of the mixture components was also observed (for example, for oleic acid in the presence of methyl oleate). Separation efficiency was lower than that predicted by binary data when the solubility of the less soluble solute was enhanced in the mixture, whereas it was improved if the solubility of the more soluble component was enhanced as observed in quaternary glyceride mixtures. [Copyright &y& Elsevier]

Isothermal titration calorimetry (ITC) and reaction calorimetry (RC) have been used to construct the solid-liquid equilibrium line in ternary systems containing the solute to precipitate and an aqueous mixed solvent, and to study polymerization reactions under real process conditions, respectively. Phase diagrams have been established over the whole concentration range for some benzene substituted derivatives, including o-anisaldehyde, 1,3,5-trimethoxybenzene and vanillin, in {water + alcohol}mixtures at different temperatures. Acrylamide polymerization in aqueous solution using potassium permanganate/acid oxalic redox system as initiator was investigated on a homemade calorimeter, which works according to the isoperibolic mode. A Calvet type differential RC was used to illustrate the applicability of temperature oscillation calorimetry (TOC) for the evaluation of the heat transfer coefficient during the course of reaction. [ABSTRACT FROM AUTHOR]

Abstract: Titration calorimetry was used to construct the solid–liquid equilibrium line in ternary systems containing the solute and an aqueous mixed solvent by measuring the heat of dissolution of the solid solute during successive additions of the liquid solvent. The plot of cumulated heats versus the mole ratio, n solvent/n solute, yields two (almost) linear increases of different slopes. These two lines represent successively the enthalpy of dissolution then the enthalpy of dilution of the medium; their intersection gives the solubility and the enthalpy of dissolution of the solute. Phase diagrams have been established over the whole concentration range for o-anisaldehyde, 1,3,5-trimethoxybenzene and vanillin, in water+methanol, +ethanol, or +n-propanol at 303, 313 and 318K. [Copyright &y& Elsevier]

Abstract: The transformation of naturally occurring phenols to humic polymers through oxidative coupling reactions may involve oxidoreductive enzymes and soil minerals as catalysts. There is limited information on the possible inhibitory or synergistic interactions between oxidoreductases and mineral catalysts as they participate in oxidative coupling of phenolic substrates. In this study, a ternary system was investigated, in which a fungal enzyme (Trametes villosa laccase), birnessite (δ-MnO2), and a naturally occurring phenolic compound (catechol) were reacted together to model soil processes. Binary systems (catechol/laccase and catechol/birnessite) were included for comparison. In the absence of the mineral, T. villosa laccase (950katalml−1) transformed 31% of catechol, whereas birnessite (1mgml−1) in the absence of the enzyme showed a 24% catechol transformation. The percentages of catechol transformation in the binary systems did not accumulate in the ternary system; instead, birnessite and laccase tested together transformed only 36% of catechol. This suggested that birnessite had an inhibitory effect on substrate transformation by laccase catalysis. Enzyme assays indicated that inhibition was a result of enzyme deactivation by humic-like polymers produced by birnessite, and by Mn2+ ions released from the mineral. These observations underscore the importance of considering enzyme-soil mineral-organic matter interactions in studies of humus formation and contaminant removal. [Copyright &y& Elsevier]