Search

Despite the importance of Al and Ta as alloying elements for Co- and Ni-base alloys, there has been limited research on the phase equilibria in the Al-Co-Ta and Al-Ni-Ta systems. Additionally, the available data are sparse and sometimes inconsistent due to the peculiar experimental challenges of these systems. Based on that, a comprehensive and critical evaluation of their phase equilibria is useful in view of further experimental and computational studies. Within this framework, the Al-Co-Ta and Al-Ni-Ta ternary systems and the respective binary subsystems are here critically assessed. All available literature investigations are analyzed and as a result, a set of self-consistent diagrams and tables are presented, reporting crystal structure data, liquidus projections, isothermal sections, etc. [ABSTRACT FROM AUTHOR]

Calcium aluminate cement (CAC) is a cement type that has superior properties such as rapid strength gain, high resistance to high temperatures and harmful chemicals. However, the result of the using of CACs in the production of structural elements occur strength decreases at later ages as a result of a series of chemical reactions called 'conversion reactions' seen in these cements. In this study, the hydration kinetics and the crystalline and amorphous structures formed as a result of hydration were investigated in CAC containing different amounts and types of main oxides-based binary and ternary systems. Considering the results obtained, the main hydration product seen in these specimens was ettringite. Unlike many studies in the literature, metastable structures which cause conversion reactions, such as CAH10, C2AH8, have not been observed. Instead of conversion of the phases, ettringite needles were became thin and elongate which causes the paste structure porous and thus causing expansion and strength reduction at the later stages of hydration in some mixtures produce high amounts of ettringite. On the other hand, it is understood that the formation of strätlingite was limited strength decreases in systems where high silica fume is used. [ABSTRACT FROM AUTHOR]

Aqueous biphasic systems (ABS) based on ethyl lactate are novel green solvent systems that are biorenewable and biodegradable with the potential to replace currently used hazardous organic solvents. Models to correlate and predict binodal curves of these systems are crucial for the design of separation processes but are currently nonexistent. Here, we report the development of two empirical models based on Merchuk's equation and the Effective Excluded Volume model for ABS composed of ethyl lactate, water and a salt (K3PO4, K2HPO4, K2CO3, Na3C6H5O7, Na2C4H4O6, Na2C4H4O4, K2S2O3, Na2S2O3 and (NH4)2S2O3). Additionally, the use of Artificial Neural Networks (ANN) as a tool to predict binodal curves was explored. An ANN composed of tansig transfer function and five neurons was built using three inputs: mole fraction of salt, molar Gibbs energy of hydration of the salt cation and anion. Furthermore, Fourier-transform infrared-attenuated total reflection spectroscopy was used to reveal the molecular interactions which were used to explain binodal data. [ABSTRACT FROM AUTHOR]

A fundamental understanding of the interfacial properties at elevated pressure is essential for processes in the context of the energy transition, such as the storage of CO 2 , H 2 or CH 4. Systems in such processes have traces of impurities. This work aims to systematically investigate these multi-component systems through simplified vapor-liquid-liquid systems comprising H 2 O, (n-butanol or n-dodecane), and (CO 2 or CH 4). The model systems are theoretically investigated using the density gradient theory and the PCP-SAFT. The interfacial tension and saturated phase density of the model systems are experimentally measured by the pendant drop and the oscillating tube method, respectively. Good agreement between the theoretical and experimental results is found. It was found that the pure and binary systems of these mixtures can be described well by the introduced model, delivering high quality predictions. [Display omitted] • Predicted & measured IFT and density. • Competitive- and co-adsorption are observed. • Interfacial behavior was theoretically predicted and experimentally validated. • Interfacial tensions are well estimated by the framework based on binary interactions parameters. • Competitive adsorption, as well as co-adsorption is observed. [ABSTRACT FROM AUTHOR]

Motivated by the fast development of various additive manufacturing technologies, we consider a mathematical model of re-solidification of multicomponent metal alloys, which takes place after ultrashort (femtosecond) pulse laser melting of a metal surface. The re-solidification occurs under highly nonequilibrium conditions when solutes diffusion in the bulk liquid cannot be described by the classical diffusion equation of parabolic type (Fick law) but is governed by diffusion equation of hyperbolic type. In addition, the model takes into account diffusive interaction between different solutes (nonzero off-diagonal terms of the diffusion matrix). Numerical simulations demonstrate that there are three main re-solidification regimes, namely, purely diffusion-controlled with solute partition at the interface, partly diffusion-controlled with weak partition, and purely diffusionless and partitionless. The type of the regime governs the final composition of the re-solidified material, and, hence, may serve as one of the main tools to design materials with desirable properties. This implies that the model is expected to be useful in evaluating the most effective re-solidification regime to guide the optimization of additive manufacturing processing parameters and alloys design. [ABSTRACT FROM AUTHOR]

In this paper, for the first time, an experimental study is conducted of phase equilibria in two three-component NaCl–NaBr–Na2CO3 and NaCl‑NaBr‑Na2SO4 salt systems. The compositions and temperatures of points of interest for the creation of functional materials are established. Projections of phase complexes onto composition triangles include two fields of crystallization: sodium carbonate (sodium sulfate) and a solid solution of NaClxBr1–x. Phase equilibria are described for crystallization fields and monovariant curves. [ABSTRACT FROM AUTHOR]

This research evaluates the retention mechanisms for various radionuclides (RN) specifically, 63Ni, 233U, 152Eu and 238Pu, on portlandite, in the presence of two organic ligands (ORG): isosaccharinate (ISA) and phthalate (PHTH). The potential negative impact of ORG on RN uptake by the solid phase may arise from two main mechanisms that were analysed: (a) the competitive adsorption of ORG or (b) the formation of RN-ORG complexes in the aqueous phase. The sorption of ISA on portlandite exhibited a maximum log(K d) value of 2.1 mL g−1, decreasing when the total ISA concentration exceeded 1·10−3 M. No sorption of PHTH was detected. Aqueous RN speciation, calculated using the Thermochimie 12a thermodynamic database, revealed formation of RN-ORG complexes only in the presence of ISA. The observed RN sorption behavior in the presence of ISA or PHTH aligned with these findings. The calculated sorption reduction factors (SRFs) were significantly higher for ISA compared to PHTH, particularly for 152Eu and 238Pu. However, the detrimental effect of ISA on RN retention was orders of magnitude lower than the predicted by geochemical modelling and, sometimes, the presence of ORG (especially at low concentrations) increased RN sorption, suggesting the formation of RN + ORG + portlandite ternary complexes. [Display omitted] • Study of ISA and phthalate impact on radionuclide (RN) sorption on portlandite. • ISA sorbs on portlandite and can compete with RN for sorption sites. • ISA significantly affects RN retention, phthalate does not. • The formation of ternary complexes is analysed. [ABSTRACT FROM AUTHOR]

An emerging dynamic calorimetry method based on infrared thermography (IRT method) has recently proven to be of great interest for the fast establishment of the phase diagrams of binary systems of organic materials (sugar alcohols, fatty acids, fatty alcohols). The methods allowed for their determination in a single 2-h experiment when standard techniques require weeks of measurements hence enabling a significant improvement of the efficiency of material screening processes. As adding a component to the system greatly increases the number of compositions to be studied (21 for binary, 231 for ternary assuming a 5 mol% increment between compositions), the IRT method may be of even greater use with increasing system complexity. This work then aims at studying the applicability of IRT for the fast establishment of phase diagrams of ternary systems with the lauric (LA), myristic (MA), and palmitic (PA) fatty acids ternary system as an illustrative case. A phase diagram in agreement with the results of the literature and with DSC measurements is established using IRT in a few hours-experiments instead of weeks to months with standard methods. The obtained results (e.g.67 mol%LA + 23 mol%MA + 10 mol%PA for the eutectic composition, occurrence of a ternary eutectic reaction at 32 °C) are promising. This technique also successfully allows for rapid exploration of the phase diagram: reconstruction of the liquidus surface, identification of the eutectic transition, 4-phase equilibrium. IRT is a particularly interesting high-throughput characterization method for the establishment of the phase diagrams of ternary (or higher-order) systems. [ABSTRACT FROM AUTHOR]

Power conversion efficiency (PCE) and color rendering index (CRI) are two important parameters for realizing the potential application of semitransparent organic photovoltaics (ST‐OPVs) into the field of building‐integrated photovoltaics (BIPVs). Herein, to extend the PCE limit while showing desirable neutral‐colored perception, formally in a trade‐off relationship, of ST‐OPVs, new ternary photoactive layers composed of polymer donor PM6‐Ir1, non‐fullerene acceptor BTP‐eC9, and fullerene acceptor PC71BM as the third component are employed, which are effective to improve opaque device efficiency while modulating CRI in relevant ternary blends. Furthermore, multifunctional ST‐OPVs are realized via simultaneously optimizing the content of PC71BM in acceptors and employing a simple photonic reflector, leading to not only excellent neutral color perception with a CRI of 96.5 but also a PCE of 14.09% with an average visible transmittance higher than 20%. Vivid backgrounds can be clearly seen through the 1‐DBR‐based ternary ST‐OPVs. Overall, these results represent the best‐performing multifunctional ST‐OPVs, and this synergistic effect can pave the road for ST‐OPVs as promising BIPVs of high device performance and good color neutrality. [ABSTRACT FROM AUTHOR]

The potential use of artificial neural networks to describe liquid–liquid phase equilibria in ternary systems under polythermal conditions is considered. The study was carried out on the example of ten ternary systems, including binary splitting subsystems of water–esters of carboxylic acids, which determines the phase splitting in ternary systems (the third component is alcohol or carboxylic acid). The features of the selected network architecture are presented, and the results, with a critical assessment of the accuracy of the calculations, are given in the tables. Approximations based on artificial neural networks are compared with calculations based on the non-random two-liquid (NRTL) model. [ABSTRACT FROM AUTHOR]

In real soils the interaction of humic substances with clay minerals often occurs with the participation of metal cations. The adsorption of fulvic acids (FA) solution and their solutions in the presence of heavy metal ions (Pb or Zn) on two clay minerals (kaolinite and bentonite) was investigated by measurement of the optical density changes in the of equilibrium solutions. The FA adsorption by bentonite at the concentrations 0.05–1 g/L proceeds according to the polymolecular mechanism and has a stepwise character. The adsorption of FA on kaolinite can be described by the mechanism of monomolecular adsorption. In three-component systems, including FA, trace element ions and a clay mineral, complex processes occur, including the formation of complexes and salts and their adsorption. The sorption of colored complexes of FA with Pb on the surface of kaolinite and bentonite increases with increasing metal concentrations (0.5–2 mmol/L). The interaction of the FA-Zn2+ compounds with bentonite is a more complicated process—adsorption takes place at the lowest concentration used only. Thus, binding of FA by clay minerals in the presence of metal cations is a complex phenomenon due to the chemical heterogeneity of FA, different properties of metals, characteristics of mineral surfaces and the variability of environmental conditions. [ABSTRACT FROM AUTHOR]

Fatty alcohol‐polysorbate 60‐water ternary systems were used as models to represent the continuous phases of the respective semisolid oil‐in‐water emulsions for topical delivery of cosmetic and medicinal agents. The influence of batch variation of polysorbate 60 and fatty alcohol on structure and consistency of these systems was investigated using microscopy, rheology, differential scanning calorimetry and X‐ray scattering techniques. The polysorbate 60 : cetostearyl alcohol mixed emulsifying wax showed swelling in water, that is, the lamellar repeat distance continually augmented from 93 to 125 Å with water percentage 20–90%. Cetostearyl alcohol ternary systems were thicker than cetyl alcohol ones independently of polysorbate 60 batches used. All the ternary systems showed an initial increase in consistency over the first 2 weeks of storage, which was followed by slight changes in consistency (cetostearyl alcohol systems) due to the re‐allocation of polysorbate 60 molecules in the gel network or significant breakdown of structure (cetyl alcohol systems) due to the transformation of swollen α‐lamellar gel phase into β, γ crystals on 25°C storage. With all fatty alcohols, the consistency of polysorbate 60 ternary system was directly dependent upon interlamellar water thickness as governed by the length and distribution of polyoxyethylene groups within polysorbate 60 molecules. In relation with the composition of polysorbate 60 batches used, the consistency of ternary systems was higher when prepared with the polysorbate 60 batch containing a greater amount of sorbitan polyoxyethylene monoesters. It was proposed that the swollen α‐crystalline gel phase could be better formed by sorbitan polyoxyethylene monoesters rather than sorbitan polyoxyethylene diesters. [ABSTRACT FROM AUTHOR]

The structure and stability of ternary systems prepared with polysorbate 60 and various combinations of cetyl (C16) and stearyl (C18) alcohols were examined as they aged over 3 months at 25 ∘ C . Rheological results showed that the consistency of these systems increased initially during roughly the first week of aging, which was succeeded by little changes in consistency (systems containing from 30% to 70% C18, with the 50% C18 system showing the highest consistencies) or significant breakdown of structure (remaining systems). The formation and/or disintegration of all ternary systems were also detected by microscopy and differential scanning calorimetry experiments. This study emphasizes the fact that the structure and consistency of ternary systems are dominantly controlled by the swelling capacity of the lamellar gel phase. Molecular dynamics simulations were performed to provide details on the molecular mechanism of stability. Computational results support the hypothesis experimentally proposed for the stability of the mixed system being due to an increased flexibility of the alcohol with a longer hydrocarbon chain. Computational results are in excellent agreement with experimental conclusions. Additionally, they show that in the mixed system, alcohols with shorter hydrocarbon chain become more rigid. These molecular details could not be available in experimental measurements. [ABSTRACT FROM AUTHOR]

[Display omitted] • PLGA NPs were prepared from nano-emulsion templates using PIC low energy methods. • FdU/CHI/PLGA ternary system was bound electrostatically and fully characterized. • The ternary system was able to transport FdU 10 oligomer into cancer cells affecting cellular proliferation. The objective of this study is to evaluate the potential applicability of a ternary drug delivery system, that incorporates chitosan (CHI) into poly(lactic-co-glycolic) acid PLGA nanoparticles (NPs) and Floxouridine (FdU) oligomers with varying lengths to be delivered in cancer cells. Two FdU oligomers containing five (FdU 5) and ten (FdU 10) residues were used. PLGA NPs were prepared from O/W nano-emulsion templates using the low energy emulsification phase inversion composition (PIC) method. Binary vectors comprised of FdU oligomer/CHI and ternary vectors based on FdU/CHI/PLGA NPs were prepared and fully characterized in terms of size, surface charge, and morphology. The resultant ternary vectors displayed spherical morphology and positive surface charge, with particle sizes in the nanometric range at appropriate FdU 5 /CHI/PLGA and FdU 10 /CHI/PLGA ratios. The presence of CHI and FdU 10 oligomer in the ternary system significantly reduced the cellular viability leading to greater cytotoxicity values (ca. 60 %) when compared to an unbound FdU 10 oligomer. The potential of nano-emulsions as a tool for preparing ternary drug delivery systems and improving the transportation of FdU oligomers into tumor cells is highlighted in this study. [ABSTRACT FROM AUTHOR]

This work shows that predicting, using a model, the topology and even the existence range of the critical behavior in an asymmetrical ternary system, is practically impossible without a systematic strategy to build through computations the ternary critical surface (T-CS). For this purpose, it is necessary to have robust calculation procedures to compute such surfaces. In this work, a calculation strategy to compute ternary critical lines (T-CLs) is developed. The computed critical surfaces for two different ternary systems are studied. In particular, the topology of these surfaces is analysed. First, a system with a relatively simple behavior is studied. Then, the strategies developed are tested for a system with complex behavior. In addition, the boundaries of a ternary critical surface (T-CS) are established, and it is described how to start the calculation of a T-CL (or a set of T-CLs) from a point on any of the established boundaries. [Display omitted] • Robust algorithm is proposed to compute critical surfaces of ternary systems. • Boundaries of ternary critical surfaces are established. • Algorithm has high flexibility in the specification of ternary critical lines. • Procedure for starting off computations from chosen boundary point is described. • Topology of ternary critical surfaces found to be potentially quite complex. [ABSTRACT FROM AUTHOR]

Complexes of the divalent metal ions, Ca2+ and Zn2+ with the bio-relevant α-amino acids, l-cysteine and glycine were investigated by means of the potentiometric technique. The dissociation constants of the bio-ligands were determined and used for determining the stability constants of their binary and ternary complexes formed in aqueous solutions at 25 ± 0.1 °C and constant ionic strength of 0.20 mol·dm−3 NaNO3. The acid–base properties of glycine were investigated at different ionic strengths, ranging from 0.01 to 0.30 mol·dm−3 NaNO3 at 25.0 ± 0.1 °C. The concentration distribution of the different glycine species formed in solution due to variation of pH was evaluated and discussed. The formation of the different 1:1 and 1:2 binary complexes and 1:1:1 ternary complexes were inferred from the potentiometric pH-metric titration curves. The ternary complex formation occurred in a stepwise manner with l-cysteine acting as the primary ligand. The stability constants of these binary and ternary complex systems were evaluated. The ∆log10K values, percentage of relative stabilization (%R.S.) and log10X for the ternary complexes were evaluated and are discussed. [ABSTRACT FROM AUTHOR]

A brief analysis of the possibilities of using the method of artificial neural networks (ANNs) for assessing and correlating data on vapor–liquid equilibrium is presented. The advantages of the Focke method are considered in the case of a limited amount of data, in this case, the parameters of vapor–liquid equilibrium. Six binary and four ternary systems are considered using a modified Argatov–Kocherbitov technique. The estimation of the correctness of the ANN method is presented for the values of excess Gibbs energy calculated from the data on the vapor–liquid equilibrium. [ABSTRACT FROM AUTHOR]

Due to the high demand of the use of food packaging in the present day, the waste from the material disposal has become a problem of high environmental impact. In this perspective, biodegradable polymers can represent a viable alternative as they degrade after their disposal, thus reducing their environmental impact. The poly(lactic acid) or polylactide is a biodegradable, biocompatible, and compostable polymer, being considered by many authors as one of the most promising biopolymers in industrial applications. However, its low thermal and mechanical properties make it an unfeasible option to replace synthetic polymers. Consequently, polymer nanocomposites containing carbon nanoparticles are products of relevant interest currently, mainly due to the thermal, mechanical, electrical, and optical properties these materials can present. Therefore, carbon nanoparticles (carbon nanotubes, graphene, and fullerene) modified with octadecylamine in their isolated state and in ternary systems in concentrations of 0.01%, 0.03%, and 0.09% were obtained from poly(lactic acid) polymer nanocomposites. After obtaining them, these systems were analyzed by TGA, DSC, FTIR, XRD, SEM, DMA, and NMR techniques. The presence of the octadecylamine modified carbon nanoparticles was able to increase the thermal and mechanical resistance of the poly(lactic acid) matrix. The systems with 0.03% of the nanostructures showed better results in both analyses. In the system with 0.09%, agglomeration occurred, and in ternary systems, the application of these particles results in a greater impact on the molecular mobility exhibiting a synergistic effect that may come from a better dispersion. [ABSTRACT FROM AUTHOR]

We present the complete theory for the decay rates of non-equilibrium fluctuations in a ternary liquid mixture subjected to a stationary temperature gradient, when the quiescent non-convective state is stable. In the most general case, within Boussinesq approximation, four fluctuating modes exist. Depending on the parameter values, propagative modes may be present, and we discuss numerically some cases where that is so. We complete the work with a discussion of symmetry upon changes in concentration representation, as well as examination of some limiting cases with practical relevance for which analytical progress is possible. We make contact with previous publications, which were based on some kind of approximation. [ABSTRACT FROM AUTHOR]

For polymer composites containing two types of conductive fillers, the electrical conductivity can be predicted with a ternary mixing equation. However, a slight deviation from the foreseen trend is recently observed for ternary polymethyl methacrylate (PMMA) nanocomposites containing carbon nanotubes (CNT) and carbon black (CB). In this study, the reason for the deviation is examined. Representative composite geometries are generated with Monte‐Carlo technique and the composite conductivity is calculated with Finite Element Modeling (FEM) Traditional FEM strategies would give results resembling the ternary mixing equation, but when the CB particles are modeled as solid spheres whereas the CNT are modeled as solid cylinders surrounded by soft, conductive shells, the composite conductivity gained the same shape as observed experimentally. One possible interpretation is that a small geometrical rearrangement of the CNT fibers has a larger impact on the composite conductivity than a corresponding movement of the spherical CB particles. As a consequence, the CNT/CB/PMMA nanocomposite exhibits a special kind of synergy ("synergism"), caused by the grape‐shaped morphology. These findings can be utilized in the future development and optimization of conductive polymer nanocomposites. [ABSTRACT FROM AUTHOR]

Ternary strategy is a promising approach to broaden the photoresponse of polymer solar cells (PSCs) by adopting combinatory photoactive blends. However, it could lead to a more complicated situation in manipulating the bulk morphology. Achieving an ideal morphology that enhances the charge transport and light absorption simultaneously is an essential avenue to promote the device performance. Herein, two polymers with different lengths of side groups (P1 is based on phenyl side group and P2 is based on biphenyl side group) are adopted in the dual‐acceptor ternary systems to evaluate the relationship between conjugated side group and crystalline behavior in the ternary system. The P1 ternary system delivers a greatly improved power conversion efficiency (PCE) of 13.06%, which could be attributed to the intense and broad photoresponse and improved charge transport originating from the improved crystallinity. Inversely, the P2 ternary device only exhibits a poor PCE of 8.97%, where the decreased device performance could mainly be ascribed to the disturbed molecular stacking of the components originating from the overlong conjugated side group. The results demonstrate a conjugated side group could greatly determine the device performance by tuning the crystallinity of components in ternary systems. [ABSTRACT FROM AUTHOR]

The nonequilibrium coupled processes of oxidation and ATP synthesis in the fundamental process of oxidative phosphorylation (OXPHOS) are of vital importance in biosystems. These coupled chemical reaction and transport bioenergetic processes using the OXPHOS pathway meet >90% of the ATP demand in aerobic systems. On the basis of experimentally determined thermodynamic OXPHOS flux-force relationships and biochemical data for the ternary system of oxidation, ion transport, and ATP synthesis, the Onsager phenomenological coefficients have been computed, including an estimate of error. A new biothermokinetic theory of energy coupling has been formulated and on its basis the thermodynamic parameters, such as the overall degree of coupling, q and the phenomenological stoichiometry, Z of the coupled system have been evaluated. The amount of ATP produced per oxygen consumed, i.e. the actual, operating P/O ratio in the biosystem, the thermodynamic efficiency of the coupled reactions, η , and the Gibbs free energy dissipation, Φ have been calculated and shown to be in agreement with experimental data. At the concentration gradients of ADP and ATP prevailing under state 3 physiological conditions of OXPHOS that yield V max rates of ATP synthesis, a maximum in Φ of ∼ 0.5 J (h m g p r o t e i n) − 1 , corresponding to a thermodynamic efficiency of ∼ 60 % for oxidation on succinate, has been obtained. Novel mechanistic insights arising from the above have been discussed. This is the first report of a 3 × 3 system of coupled chemical reactions with transport in a biological context in which the phenomenological coefficients have been evaluated from experimental data. • 3 × 3 flux-force relationships for oxidation, ion transport, and ATP synthesis are measured for the first time. • The six Onsager phenomenological coefficients are calculated from the experimental data. • A nonequilibrium thermodynamic analysis is performed on the coupled OXPHOS system. • A new biothermokinetic theory of energy coupling and transduction is formulated. • The degree of coupling q , efficiency η , and Gibbs energy dissipation, Φ are calculated by the new theory. • The calculations are shown to be in good agreement with experimental data. • Mechanistic insights based on Nath's two-ion theory of energy coupling and ATP synthesis are discussed. [ABSTRACT FROM AUTHOR]

The present work deals with analysis of instabilities in DCMIX1 ternary systems in the experimental geometry when two liquid layers with different concentrations are superimposed. In multicomponent mixtures, depending on the initial conditions, it is possible to have convective motion even when the top part is less dense than the bottom one. This unstable behavior destroys boundary interfaces unpredictably and affects diffusion processes. Such behavior was examined considering as multicomponent mixture the DCMIX1 ternary system. Due to its three different constituents, the mixture could easily generate two possible types of instability regimes such as: fingers and overstability. Five different compositions have been initially selected, three around the fingers-like type region and two around the overstability region. Experimental results obtained during Sliding Symmetric Tubes (SST) technique based experiments have been compared with the analytical pure diffusion solution and also with a 3D numerical simulation which includes the buoyancy effects. For this purpose, a specific solver in the open source software OpenFOAM has been created. Predicted instabilities agree well with experimental results in most of the cases, confirming the accuracy of the obtained diffusion coefficients. • Limiting conditions for onset of fingers and overstability. • Stability graph for DCMIX1 ternary mixture. • Stable cases are showing very good agreement with analyitical solution. • Unstable cases can be described by using numerical simulation. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Solubility reported for ternary carbon dioxide – β-carotene – co-solute systems. • Co-solutes were α-tocopherol, palmitic acid, and capsaicin. • Solvent, solute and co-solute properties influence solubility behavior. • Solubility modelling with semi-empirical models by assuming pseudo-binary systems. Abstract Ternary carbon dioxide – β-carotene – co-solute systems have been studied with the aim of examining the equilibrium solubility of β-carotene and co-solutes in carbon dioxide at supercritical conditions. Co-solutes were α-tocopherol, palmitic acid, and capsaicin. Experiments were performed by using a semi-continuous type apparatus from 10 to 36 MPa at 308.15 and 328.15 K. Binary β-carotene and co-solute mixture was initially fed to the cell at the same mass ratio (1:1). It was found that β-carotene shows the lowest solubility values for any system at 308.15 K. On the other hand, the co-solute that exhibits the highest solubility was palmitic acid at 328.15 K. Experimental data were modelled using the semi-empirical equations proposed by Chrastil, Kumar and Johnston, and Mendez-Santiago and Teja. Selectivity of carbon dioxide for each co-solute in the presence of β-carotene was also evaluated. [ABSTRACT FROM AUTHOR]

The results of the study of ternary systems containing copper, cobalt, nickel, and cadmium halides and sulfates in binary water-organic and mixed organic solvents are summarized. The influence of the donor-acceptor properties of the ternary system components, the relative dielectric permittivity, and the intermolecular association in the mixed solvent on the solubility of salts and the crystalline structure of solvates is analyzed. [ABSTRACT FROM AUTHOR]

Four complexes [Ni(DMA)2(H2O)4]Cl2·2H2O, [Ni(DMF)2(H2O)4]Cl2·2H2O, and [Ni(DMA)6][NiCl4], [Ni(DMF)2(H2O)2Cl2] were isolated from ternary water-organic saline systems containing nickel chloride and N, N-dimethylacetamide-water and N, N-dimethylformamide-water binary solvents. The obtained complexes were studied by X-ray structural analysis. The formation of hydrogen bonds between water molecules of the nickel ion solvate sphere, chloride ions, and non-coordinated water molecules located in the cavity of the crystal structure was detected. [ABSTRACT FROM AUTHOR]

Abstract Study of phase formation in the system K 2 MoO 4 –Na 2 MoO 4 at 500 °C showed the existence of the only double molybdate K 2- x Na x MoO 4 (0.4 ≤ x ≤ 1) of the glaserite-related type. Using these data, the subsolidus phase relations in the systems K 2 MoO 4 –Na 2 MoO 4 – M MoO 4 (M = Mn, Zn) were studied at 470–560 °C and the extended solid solutions based on the alluaudite-type Na 4−2 x M 1+ x (MoO 4) 3 were found. In the structure of K 1.71 Na 1.71 Mn 1.29 (MoO 4) 3 (sp. gr. C 2 /c , Z = 4, a = 13.0595(3) Å, b = 13.7892(3) Å, c = 7.2973(2) Å, β = 111.339(1)°, R = 0.0134), the potassium ions partially replace Na+ in the channels running along c -axis. The structure of K 1.84 Na 2.11 Zn 1.02 (MoO 4) 3 (sp. gr. P 1̅, Z = 2, a = 7.3258(8) Å, b = 9.4128(10) Å, c = 9.4302(10) Å, α = 93.104(3)°, β = 104.573(3)°, γ = 104.432(3)°, R = 0.0220) is isotypic with alluaudite-related α-K 4 Zn(WO 4) 3 and seems to be a result of stabilizing an unknown triclinic modification of K 4 Zn(MoO 4) 3 by substitution of sodium for potassium with the strong differentiation of alkali and zinc cations in the structure. In the structure of K 1.5 Na 0.5 Mn 2 (MoO 4) 3 (sp. gr. Pcca , Z = 8, a = 10.6160(7) Å, b = 12.2714(8) Å, c = 18.0275(11) Å, R = 0.0155) of the α-K 2 Mn 2 (MoO 4) 3 type, one of three initial potassium positions is jointly occupied by (Na, Mn); a similar phenomenon occurs in isostructural Rb 3 Na 3 Sc 2 (MoO 4) 6. The structure contains zigzag-like ribbons of edge-sharing MnO 6 octahedra linked with separate MnO 6 octahedra and МоО 4 tetrahedra into 3D containing channels along the c -axes filled by K+ ions. BVS maps show possible one-dimensional sodium-ion conductivity for the structures of K 1.71 Na 1.71 Mn 1.29 (MoO 4) 3 and Rb 3 Na 3 Sc 2 (MoO 4) 6. Graphical abstract Nonstoichiometric triple molybdates in the systems K 2 MoO 4 –Na 2 MoO 4 – M MoO 4 (M = Mn, Zn) were obtained and characterized. The possibility of mainly 1D character of the sodium-ion transport was shown for the K 1.71 Na 1.71 Mn 1.29 (MoO 4) 3. fx1 Highlights • The limits of homogeneity range of the glaserite type phase in the K 2 MoO 4 –Na 2 MoO 4 system were determined. • The subsolidus phase relations in the K 2 MoO 4 –Na 2 MoO 4 – M MoO 4 (M = Mn, Zn) systems were studied. • Structures of K 1.71 Na 1.71 Mn 1.29 (MoO 4) 3 , K 1.84 Na 2.11 Zn 1.02 (MoO 4) 3 and K 1.5 Na 0.5 Mn 2 (MoO 4) 3 were solved. • The maps of bond valence sums for sodium and potassium ions for studied structures and Rb 3 Na 3 Sc 2 (MoO 4) 6 were calculated. • Possible one-dimensional character of sodium-ion conductivity for K 1.71 Na 1.71 Mn 1.29 (MoO 4) 3 and Rb 3 Na 3 Sc 2 (MoO 4) 6 was shown. [ABSTRACT FROM AUTHOR]

In the title compound, [Co(C10H8N2)3](C9H5N4O)2, the tris(2,2'-bipyridine)-cobalt(II) dication lies across a twofold rotation axes in the space group C2/c. The N atoms of the three bipyridine ligands form a distorted octahedron around the cobalt ion. All the N atoms of the polynitrile 1,1,3,3-tetracyano-2-ethoxypropenide anions participate in C--H...N hydrogen bonds ensuring crystal cohesion and forming a three-dimensional structure. The structure is further stabilized by C--H...π(cation) and anion...π(cation) interactions. [ABSTRACT FROM AUTHOR]

Abstract The RKPR EoS was developed in the past decade as a three-parameter model, with the intention to overcome some of the limitations of classic two-parameter cubic equations of state. More recently, parameter correlations were presented for alkanes and their mixtures, showing excellent capacity to predict the fluid phase behavior of binary mixtures up to the more asymmetric combinations and in wide ranges of temperature and pressure. In this work, different types of phase equilibrium data for multicomponent mixtures are considered, in order to see whether the good performance previously demonstrated for binary systems is also transferable to multicomponent mixtures like the ones typically encountered in synthetic fluids designed in the lab as model reservoir fluids. In the case of ternary systems with good availability of constant temperature and pressure data sets, the type and behavior of these Gibbs triangle diagrams are analyzed with reference to the general or global behavior of the system, based on pure compound saturation and binary critical lines, something we had not found in the literature preceding this work. The results and comparisons presented in this article allow concluding that RKPR2015 can be a useful tool with very good predictive capacity to describe the fluid phase equilibria of hydrocarbon mixtures. Advantages over the Peng-Robinson equation appear more clearly for the more asymmetric fluids, including synthetic gas condensates. [ABSTRACT FROM AUTHOR]

• Enhanced method for the quick assessment of reactive distillation applicability. • Insights into the RD design and applicability to reversible ternary systems. • Effective validation and application to an industrial case study (metathesis). Reactive distillation (RD) is a process intensification technology that offers opportunities in the chemical industry. However, designing RD columns remains a demanding task as reaction and separation phenomena occur simultaneously in the column. Moreover, in the early phase of conceptual process design, most of the physical and chemical properties information is unknown. Aiming to deal with that constraint, this paper presents the latest development of a mapping method, for the quick evaluation of the RD applicability. Initially, the approach was introduced in our previous work but limited to quaternary reaction systems. The extended method development performed in this work shows the general suitability of the method for ternary reaction systems, in spite of decreased degree of freedom of the systems. The method validation based on an industrial case study shows that the deviations for predicted number of theoretical stages and reflux ratio are less than 10%. Using only generic cases with fixed representative relative volatilities, chemical equilibrium constant and the Damköhler number, end users of the mapping method can quickly perform the RD applicability screening without doing any extensive rigorous simulations for real systems. [Display omitted] [ABSTRACT FROM AUTHOR]

Solidus and liquidus temperatures of solid solutions with the face centered cubic lattice (α-phase) in Pd—Au—Sn and Pd—Cu—Sn ternary systems were determined. The liquidus surface projections for the α-phase were constructed, and position of the binary eutectic reaction L → α + Pd3Sn in the studied ternary systems was predicted. [ABSTRACT FROM AUTHOR]

Phase equilibrium diagrams of fluid phases in ternary systems can have a high complexity. In this work, a strategy and calculation methods for the computation of complete sections of ternary fluid phase equilibrium surfaces is proposed. To illustrate the methodology, we present computed results for the fluid phase equilibrium of an isothermal section for the ternary highly non-ideal system CO 2 + H 2 O + 2-propanol(IPA), as described by a given model and given set of values of the model parameters. The calculation method is based on the prior identification of (univariant) key points (KPs) of the ternary isotherm. From such KPs, it is possible to build the different equilibrium lines that constitute the ternary isothermal diagram, with the help of a numerical continuation method. The results show a high level of complexity including a number of three-phase loci, critical loci, and ternary critical endpoints, together with a ternary four-phase equilibrium point. [ABSTRACT FROM AUTHOR]

The applicability of 3D map modelling for melting point prediction was studied. The melting points in the ammonium polyphosphate–pentaerythritol–melamine chemical system of intumescent flame-retardant coatings over a wide range of concentrations were collected. The ternary diagram (triangle) of the melting points was plotted and an approximated 3D map was built for the range 205–345°C. The present work contains the thermal data for the observed ternary system and provides a new graphic system for making predictions for intumescent flame-retardant coatings. The applicability of the calculated 3D map for obtaining experimental samples of fire-retardant paints with a low melting point for thin steel constructions was shown. [ABSTRACT FROM AUTHOR]

The liquid–liquid equilibrium (LLE) data of the ternary systems (water + cyclopentanone + benzene or toluene) were determined at T = 303.2, 313.2, and 323.2 K, under 101 kPa. The reliability of the experimental tie-line data was sufficiently checked by the empirical Hand and Bachman equations. The distribution coefficient and separation factor were used to investigate the distribution of cyclopentanone between water and solvents. The results show that the separation factor decreases with increasing cyclopentanone amounts in organic phase and the influence of temperature is light in the study. The experimental tie-line data were correlated well with the NRTL and UNIQUAC activity coefficient models with a root mean square deviation (RMSD) as low as 0.81 and 0.50. [ABSTRACT FROM AUTHOR]

The CuInS2-FeS section of the ternary Cu2S-In2S3-FeS system has been studied by means of differential thermal, X-ray diffraction, and microstructural analyses; microhardness and density of the samples have been also measured. This eutectic-type section has been identified as a quasi-binary section of the ternary system. [ABSTRACT FROM AUTHOR]

• Use of green dimethyl adipate (DMA) solvent in extraction. • Experimental measurements of liquid–liquid equilibria of aqueous ternary systems with C1-C3 alcohols and DMA. • Determination of separation factor and distribution coefficient for the investigated systems. • Correlation of liquid–liquid data by UNIQUAC model. The aim of this study was to examine the possibility of using a green organic solvent, dimethyl adipate (DMA), as a separation agent in the extraction of different alcohols from aqueous solutions. For that purpose, the liquid–liquid equilibria (LLE) of four ternary systems were analytically determined at 298.15 K and atmospheric pressure using stirred and thermo-regulated cells: {water + methanol + dimethyl adipate (DMA)}, {water + ethanol + DMA}, {water + 1-propanol + DMA}, {water + 2-propanol + DMA}. Phase diagrams for these four ternary systems were obtained by determining a binodal curve and tie-lines data using a visual cloud-point method, but also gas chromatography. Distribution coefficients and separation factors were calculated for the immiscibility region. Hand and Othmer-Tobias correlations were used to examine the reliability of the tie-line data. In addition, the experimental ternary LLE data were correlated with the UNIversal QUAsiChemical (UNIQUAC) activity coefficient models. The obtained results showed that DMA is a suitable candidate for the extraction of methanol, ethanol, 1-propanol, and 2-propanol from water. With some alcohols, this potential is more noticeable than with others. The potential of DMA as a separation agent is increasing in the following sequence: methanol < ethanol < 2-propanol < 1-propanol, and that also could be noticed from the selectivity values that also increase in this sequence. The UNIQUAC model proved as successful in correlating the LLE data. [ABSTRACT FROM AUTHOR]

• The volumetric properties for ternary systems TMEDA/PMDETA + ACN + H 2 O and corresponding binary systems were investigated. • V m E , V φ , V ¯ and V ¯ E were all calculated. • V m E values for binary and ternary systems were all negative. • V m E values were correlated by R-K and N - T equations respectively. The densities of two ternary mixtures, N, N, N', N'-tetramethylethylenediamine (TMEDA) + acetonitrile (ACN) + H 2 O and pentamethyldiethylenetriamine (PMDETA) + ACN + H 2 O, and the corresponding binary mixtures TMEDA + ACN, PMDETA + ACN, TMEDA + H 2 O, PMDETA + H 2 O and ACN + H 2 O, were measured at different temperatures and 0.1 MPa. The studied temperatures are T = (288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15 and 323.15) K. From the experimental data, excess molar volume (V m E), apparent molar volume (V φ), partial molar volume ( V ¯ ) and excess partial molar volume ( V ¯ E), were calculated. Furthermore, the V m E values for the binary mixtures were fitted to the Redlich-Kister polynomial equation. For the ternary systems, the V m E values were fitted to Nagata-Tamura equation and the fitting results were compared with those by Cibulka, Singh and Redlich-Kister equations. All the results were analyzed from the intermolecular interactions and molecular structure. [ABSTRACT FROM AUTHOR]

For the first time, a novel three-dimensional (3D) hierarchical mesoporous MnNiCoO 4 @MnO 2 core-shellnanowire(For the first tim)/nanosheet arrays hybrid composite with robust adhesion on a carbon cloth (CC) as an integrated self-supported supercapacitor electrode was synthesized via a facile two-step hydrothermal method and a subsequent low temperature annealing process. The synthesized materials were characterized using field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photo electron spectroscopy (XPS), Brunauer–Emmett–Teller (BET) and electrochemical techniques. The results show that this unique nanostructure merits superiorities such as large surface area, more accessible active sites, better infiltration/diffusion, high conductivity and high electrochemical/mechanical stability. The MnNiCoO 4 @MnO 2 core-shell nanoarrays can achieve a relatively high specific capacitance of 1931 F g −1 at a current density of 0.8 A g −1 , a good capacitance retention of 91.2% at a high current density of 6 A g −1 after 6000 cycles, a low equivalent series resistance (ESR) of 0.53 Ω, an energy density of 67.1 Wh kg −1 at a power density of 200 W kg −1 in 6 mol L −1 KOH electrolyte. The remarkable electrochemical behaviors indicate that the carbon cloth supported hierarchical mesoporous MnNiCoO 4 @MnO 2 core-shell nanowire/nanosheet array electrodes are highly promising for applications like advanced supercapacitor electrodes. [ABSTRACT FROM AUTHOR]

The solid–liquid equilibrium phase diagrams of binary and ternary mixtures formed by n-decane and the fatty acid ethyl esters ethyl laurate and ethyl palmitate were studied through differential scanning calorimetry (DSC). Phase change properties of polymorphs were obtained by resolving the thermograms into the corresponding overlapping peaks through a fitting analysis with a Gaussian function. The binary systems show immiscibility in solid phase. The system formed by ethyl laurate and n-decane presents two peritectic transformations, which were also observed in the ternary phase diagram. Equilibrium data were thermodynamically modeled using different models for liquid phase non-ideality and considering different polymorphs in solid phase. The results of modeling are in good agreement with the eutectic behavior of the system formed by ethyl palmitate and n-decane. However, higher discrepancies were observed if no peritectic behavior for the binary system formed by ethyl laurate and n-decane is considered. The results obtained in this work constitute another step forward to enhance the understanding and description of the complex behavior of biodiesel/diesel mixtures at low temperatures. [ABSTRACT FROM AUTHOR]

In the last few decades ionic liquids (ILs) have been widely considered as a “green solvents” and they are used in various fields. ILs can be used in the formation of microemulsion as a dispersed medium, polar domain and recently as a surfactant. In this particular review our discussion is about the novel IL-based aqueous and non-aqueous microemulsions which are quite fascinating and interesting research field for scientists. Synthesis of double and triple chain containing surface active ionic liquid (SAILs) and formation of microemulsion as a surfactant with ILs as a polar core have been elaborated in this review. ILs with a certain surface activity having long alkyl chain substituents can self-aggregate and form ILs microemulsion with high-temperature stability and temperature insensitivity. Characterization of these ILs in oil microemulsion and different ultrafast processes which are performed inside these characterized systems are documented very well. We have highlighted the similarities and differences between the nonaqueous microemulsions and the aqueous microemulsions. Addition of water and effect of temperature are quite important in case of the ILs containing microemulsions. [ABSTRACT FROM AUTHOR]

Lignocellulosic nanostructures, mainly cellulose and lignin based materials, have recently attracted much attention due to their renewable nature, wide variety of source materials available throughout the world, low cost and density, high surface functionality and reactivity. The exceptional mechanical strength, together with high aspect ratio and large surface area, enable these nanomaterials to reinforce a wide variety of polymers even at very low filler loadings. Furthermore, nanocomposite approach has emerged in the last two decades as an efficient strategy to upgrade the structural and functional properties of natural and/or synthetic polymers. The combination of bioresorbable and sustainable polymers with bio-based nanostructures opened new perspectives in the self-assembly of nanomaterials for different applications with tuneable mechanical, thermal and degradative properties. In the present paper, the effect of introduction of lignocellulosic reinforcement phases (cellulosic and lignin based nanostructures), on structural and functional properties of several thermoplastic polymer matrices was investigated at the nanoscale level. Both solvent casting and melt compounding were considered as processing techniques for the proposed nanocomposite formulations. The role of cellulose and lignin based nanostructures, such as their synergic action when embedded in a polymer matrix, were analysed (taking into account the required functionality of the systems in the appropriate final applications) and reported in terms of morphological, optical, thermal, chemical, mechanical, barrier and degradative performance. [ABSTRACT FROM AUTHOR]

The full harvest of solar energy by semiconductors requires a material that simultaneously absorbs across the whole solar spectrum and collects photogenerated electrons and holes separately. The stepwise integration of three semiconducting sulfides, namely ZnS, CdS, and Cu2− xS, into a single nanocrystal, led to a unique ternary multi-node sheath ZnS-CdS-Cu2− xS heteronanorod for full-spectrum solar energy absorption. Localized surface plasmon resonance (LSPR) in the nonstoichiometric copper sulfide nanostructures enables effective NIR absorption. More significantly, the construction of pn heterojunctions between Cu2− xS and CdS leads to staggered gaps, as confirmed by first-principles simulations. This band alignment causes effective electron-hole separation in the ternary system and hence enables efficient solar energy conversion. [ABSTRACT FROM AUTHOR]

The surface and micellization behavior of binary and ternary mixtures of cetylpyridinium chloride (CPC), sodium dodecyl sulfate (SDS) and polyethylene glycol hexadecyl ether (BRIJ-56) in different mole fractions have been studied in detail by surface tension measurement. The critical micelle concentration (CMC), activity coefficients, mutual interaction parameters, interfacial adsorption, minimum area per molecule, and energetic parameters for binary and ternary systems have been determined. Here we used the Clint, Rubingh and Rubingh–Holland models to analyze the results. [ABSTRACT FROM AUTHOR]

Solubility of salts in the systems MCl-HO-Solv (M = Co, Ni) and CoBr-HO-Solv (Solv = dimethyl sulfoxide, dimethyl formamide, and dimethyl acetamide) at 25°C was measured experimentally. Dominating species of cobalt and nickel halides existing in various concentration regions were identified by analysis of electron absorption spectra. It was shown that the major factor defining solubility is the interaction of halocomplexes of metal ions with solvent molecules. [ABSTRACT FROM AUTHOR]

[Display omitted] Pterostilbene (PTS) is a drug candidate with low water solubility and poor bioavailability. On the other hand, drug:cyclodextrins complexes frequently provide bulk powders with low drug concentrations, which is crucial for obtention solid or semi-solid pharmaceutical dosage forms. In order to determine the optimal conditions for enhancing the solubility of PTS:BCD (β-cyclodextrin) complex, a Box–Behnken design was performed. Although the optimal conditions have been applied, low complexation efficiency (0.127) and the bulk powder remained. A PTS:BCD:HPMC (HPMC, hydroxypropyl methylcellulose) ternary system was developed to overcome this limitation, comparing two media, water and a mixture of ethanol–water. When ethanol was used as a co-solvent, the PTS:BCD:HPMC ternary system (freeze-dried) contained 116.65 ± 1.40 mg/g of PTS. This value was 3.4-fold higher than the PTS content observed when the same ternary system was obtained in aqueous media (34.8 mg/g) and 2.8-fold higher than the PTS content observed for PTS:BCD complex (freeze-dried) obtained using ethanol as a co-solvent. Dissolution tests revealed that after 120 min, in a buffer with a pH value of 1.2, only 43% of PTS dissolved. In contrast, 80% and 90% of PTS were dissolved from the PTS:BCD complex and PTS:BCD:HPMC ternary system, respectively. Moreover, the dissolution was fast in a buffer with a pH value of 6.8. PTS:BCD complex reached the maximum PTS dissolution at 75 min and PTS:BCD:HPMC at 45 min. In summary, the results of this study demonstrated, for the first time, that low-bulk powders with a high content of PTS can be obtained from PTS:BCD:HPMC ternary systems using ethanol as a co-solvent. This new finding offers a valuable alternative for producing solid or semi-solid formulations containing highly soluble PTS. [ABSTRACT FROM AUTHOR]

The solid–liquid equilibrium diagrams of binary and ternary mixtures formed by dodecylcyclohexane and the fatty acid esters ethyl laurate and ethyl palmitate was determined herein. The liquidus and solidus lines were obtained through differential scanning calorimetry. The thermograms of pure compounds were resolved into the corresponding overlapping peak components by a fitting analysis, allowing a better estimation of phase-change properties of polymorphs. All binary systems show immiscibility in the solid phase, although those containing dodecylcyclohexane present small regions of partial miscibility. The system formed by ethyl palmitate and dodecylcyclohexane presents a peritectic transition, which was also observed in the ternary system. The thermodynamic modeling was conducted using different models for liquid-phase non-ideality and considering different polymorphs in solid phase. The modeling shows that a probable inversion of polymorphs relative stability occurs for the binary system formed by ethyl laurate and dodecylcyclohexane. The results from this work may contribute to enhancing the understanding and description of the complex behavior of biodiesel/diesel mixtures at low temperatures. [ABSTRACT FROM AUTHOR]

Multiphase, multicomponent equilibrium systems are encountered commonly in the chemical industry. The non-random two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) models are applied widely to correlate activity coefficients in phase equilibria calculations. We demonstrated previously the predictive capability of a quantitative structure–property relationship (QSPR)-generalized NRTL model (NRTL-QSPR) for vapor–liquid equilibrium (VLE) property predictions of diverse binary systems. In this study, we further evaluate the prediction quality of the NRTL and UNIQUAC models as they apply to multicomponent systems. Specifically, we evaluate both the representation and prediction of vapor–liquid equilibrium properties of multicomponent systems using regressed and QSPR-generalized parameters of the constituent binaries. To complete this evaluation, a database comprised of 57 ternary VLE systems and their 75 constituent binary systems was assembled. In addition, 29 ternary systems were employed to examine the efficacy of the models when at least one constituent binary is missing. For ternary systems where all three constituent binary systems were available, the NRTL-QSPR model provided overall percent absolute average deviations (%AADs) of 3.7, 0.3, 9.0, and 8.7 for pressure ( P ), temperature ( T ), mole fraction ( y 1 ), and K-values , respectively. In comparison, the generalized UNIQUAC-QSPR model exhibited errors of 3.5, 0.3, 8.2, and 7.9, respectively. Thus, for the systems considered, both models exhibit comparable accuracy. Further, for these systems the group-contribution method Modified UNIFAC (mUNIFAC) produced slightly better results. For systems where at least one constituent binary is missing in our database, errors for the NRTL-QSPR are 6.3, 0.5, 11.2, and 11.4 %AADs for P , T , y 1 , and K-values , respectively. The comparable errors for the UNIQUAC-QSPR for this case are 8.4, 0.7, 12.9, and 12.5, respectively. For the same set of ternary systems, the mUNIFAC model produced %AADs of 20.7, 2.1, 25.7, and 26.7 for P , T , y 1 , and K-values , respectively. As such, the mUNIFAC model results in three times higher errors than our generalized models. Although additional evaluation using a comprehensive database is required, the results presented in this study demonstrate the efficacy of the QSPR binary parameter generalizations, as applied to the NRTL and UNIQAC models, for VLE multicomponent property predictions. [ABSTRACT FROM AUTHOR]

Ternary miscibility data, usually reported in the Roozeboom triangular diagram, have been analyzed in Cartesian coordinates defined by X = ( x i − x j )/3 and Y = x k where x i , x j , and x k are the mole fractions of the two solvents and of the solute, respectively. This has allowed for an easy analytical representation of all the elements which are characteristic of the system: binodal curve, tie lines, plait point. Three novel methods for determining the plait point composition have been proposed based only on its fundamental properties. The results have been presented by applying the methods to some systems described in the literature. Differences between the values obtained with the proposed methods and those obtainable with the NRTL and UNIQUAC models have been found and are discussed. [ABSTRACT FROM AUTHOR]

Extractive distillation is widely used to separate binary mixtures with azeotropes that prevent separation in a single distillation column. The conventional binary extractive distillation configuration uses two columns with one key component going overhead in the extractive column and the other key component going either overhead or out the bottom of the solvent recovery column, depending on the effect of the solvent on the volatilities of the key components. Extractive distillation can also be applied to separate ternary mixtures with azeotropes. The conventional ternary extractive process requires three columns. Unconventional processes can also be used, such as thermally coupled sidestream/rectifier columns. Economic advantages of the thermally coupled process have been reported for some separations. The controllability of extractive distillation system for binary mixtures has been explored in many papers. The novel contribution of this paper is the exploration of the dynamic controllability of extractive distillation systems for a ternary mixture. The dynamics of a conventional three-column process are compared with a thermally coupled column/rectifier process. [ABSTRACT FROM AUTHOR]

The limitation of the harmful lead-containing solders used in the electronics and other industry applications change lead with another metals. Interfacial reactions between Sn-Zn alloys and Ni substrate after annealing at 400 and 450° C were studied. Three intermetallic compounds Ni3Sn4, T1, γ-Ni5Zn21 and liquid Sn were observed in the Ni/Sn-Zn diffusion couples. Scanning electron microscope was used for the investigation of the microstructure. The microhardness measurement of the intermetallic layers was also performed. [ABSTRACT FROM AUTHOR]