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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]

Partial reoptimization of the parameters of the Wang–Gruszkiewicz model has been performed, which made it possible to describe phase equilibria in boundary ternary systems that form a Na+,K+//Cl–,NO –H2O reciprocal system near the boiling temperatures. The regions of stability of the liquid phase, i.e., the compositions of solutions whose boiling does not lead to isolation of a solid phase were determined. At definite ratios of the amounts of sodium and potassium nitrates in the NaNO3–KNO3–H2O system, the vapor pressure of water over the saturated solutions equals the atmospheric pressure at two different temperatures. [ABSTRACT FROM AUTHOR]

This study presents an evaluation of the liquid-liquid equilibria (LLE) for both binary and ternary systems involving methanol, cyclohexane, and n-hexane at a pressure of 1 MPa. The investigation encompasses a comprehensive analysis of phase behavior, including thermodynamic modeling, and graphical representations. The binary system of methanol and cyclohexane is examined extensively to understand their phase equilibrium at varying temperatures, with a focus on the T-xx diagram, activity coefficient calculations, and vapor-liquid equilibrium (VLE) analyses. Furthermore, the ternary system incorporating n-hexane alongside methanol and cyclohexane is investigated to explore the intricacies of multicomponent phase behavior. Through the utilization of thermodynamic models such as the Non-Random Two-Liquid (NRTL) model and Universal Quasi-Chemical (UNIQUAC) model, key insights into the phase compositions, distribution coefficients, azeotropes, and residue curves are elucidated. The findings from this study provide valuable insights into the thermodynamic interactions within these systems, offering essential guidance for process design and optimization in various industrial applications.

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]

The ultraviolet (UV) part in the sunlight is known to cause most damage to organic photovoltaics (OPV). UV filters therefore can improve stability. The lifetime of the UV‐filtered OPV is determined by visible light. Herein, visible sunlight is divided into several bands and modeled by light‐emitting diodes to study the stability of ternary OPV. Poly[(2,6‐(4,8‐bis(5‐(2‐ethylhexyl‐3‐fluoro)thiophen‐2‐yl)‐benzo[1,2‐b:4,5‐b′]dithiophene))‐alt‐(5,5‐(1′,3′‐di‐2‐thienyl‐5′,7′‐bis(2‐ethylhexyl)benzo[1′,2′‐c:4′,5′‐c′]dithiophene‐4,8‐dione)] (PM6) is used as the donor. 2,2′‐((2Z,2′Z)‐((12,13‐bis(2‐ethylhexyl)‐3,9‐diundecyl‐12,13‐dihydro‐[1,2,5]thiadiazolo[3,4‐e]thieno[2",3″:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2‐g]thieno[2′,3′:4,5]thieno[3,2‐b]indole‐2,10‐diyl)bis(methanylylidene))bis(5,6‐difluoro‐3‐oxo‐2,3‐dihydro‐1H‐indene‐2,1‐diylidene))dimalononitrile (Y6) is used as the acceptor. Another polymer is added as the second donor to improve the stability. As expected, the deep and light blue bands dominate the decay under visible light. After about 1200 h of blue irradiation, the devices enter a relatively stable state up to 3000 h of tracking, in sharp contrast to the continuous decay under UV. No chemical reaction is observed under blue light. Years of outdoor lifetime for nonfullerene OPV are projected with the UV filter. [ABSTRACT FROM AUTHOR]

Mixing a third compound into the active layer of an organic bulk heterojunction solar cell to form a ternary system has become an established way to improve performance. Various models, based on different assumptions regarding the active layer morphology and the energetics, have been proposed but there is neither consensus on the applicability of the various assumptions to different experimental systems, nor on the actual device physics of these, mostly qualitative, models. Kinetic Monte Carlo simulations are used to investigate the role of morphology and relative energy levels of the constituent materials. By comparing with experimental current–voltage characteristics, a consistent picture arises when the (minority) third compound is predominantly incorporated between the other (majority) compounds and has energy levels that are intermediate to those of the binary host. Even if morphologically imperfect, the resulting energy cascade promotes charge separation and reduces recombination, leading to higher fill factors and short‐circuit current densities. The open‐circuit voltage sits between that of the binary extremes, in agreement with data from an extensive literature review. This leads to selection criteria for third compounds in terms of energetics and miscibility that promote the formation of a cascade morphology in real and energy space. [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]

The ultraviolet (UV) radiation in the solar spectrum causes most of the decay under sunlight for solar cells based on organic photovoltaics (OPV). One‐year outdoor lifetime still remains challenging for OPV. The lifetime of 2000 h under continuous laboratory light corresponds to a 1 year outdoor lifetime. Herein, the stability of the OPVs is studied under continuous irradiation by a UV light emitting diode of 365 nm with a long tracking time. The intensity of 50 W m−2 is the same as the sunlight UV. The compositions of the active layer and cathode interfacial layer are sensitive to UV irradiation. In general, ternary devices have better UV stability than binary devices. In particular, a good stability is achieved for the ternary device based on the high‐performance blend with poly[(2,6‐(4,8‐bis(5‐(2‐ethylhexyl‐3‐fluoro)thiophen‐2‐yl)‐benzo[1,2‐b:4,5‐b']dithiophene))‐alt‐(5,5‐(1',3'‐di‐2‐thienyl‐5',7'‐bis(2‐ethylhexyl)benzo[1',2'‐c:4',5'‐c']dithiophene‐4,8‐dione)] (PM6) as the donor. The acceptor is 2,2'‐((2Z,2'Z)‐((12,13‐bis(2‐ethylhexyl)‐3,9‐diundecyl‐12,13‐dihydro‐[1,2,5]thiadiazolo[3,4‐e]thieno[2",3":4',5']thieno[2',3':4,5]pyrrolo[3,2‐g]thieno[2',3':4,5]thieno[3,2‐b]indole‐2,10‐diyl)bis(methanylylidene))bis(5,6‐difluoro‐3‐oxo‐2,3‐dihydro‐1H‐indene‐2,1‐diylidene))dimalononitrile (Y6). The fullerene derivative [6,6]‐phenyl C71‐butyric acid methyl ester (PC71BM) is added as the second acceptor, whereas a polymer poly[(2,6‐(4,8‐bis(5‐(2‐ethylhexyl)thiophen‐2‐yl)benzo[1,2‐b:4,5‐b']dithiophene))‐co‐(1,3‐di(5‐thiophene‐2‐yl)‐5,7‐bis(2‐ethylhexyl)benzo[1,2‐c:4,5‐c']dithiophene‐4,8‐dione)] (PBDB‐T) is added as the second donor. For the PM6:Y6 ternary device, the UV half lifetime is 1750 h, which is close to the 2000 h target set by the outdoor of a 1 year lifetime. [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]

Gas hydrate is a crystalline solid compound form of water with hydrophobic gas at certain conditions (pressure and temperature). The hydrogen bond in water molecules constructs a framework as a host that entraps gas molecules (gust). Gas hydrate can be applied to many industries such as gas separation, cool storage, food concentration and desalination. Hydrate route looks a promising alternative technology compared to the conventional process, by utilizing a proper gas host, which can be held within water cavities composed by hydrogen-bonded water molecules. In this study the selected host gas was Refrigerant R134a, the work consists of an experimental and theoretical investigation dealing with hydrate formation for the ternary system (water, refrigerant gas, salt) at different initial pressures, the salts were NaCl, KBr and NaF. Method of isochoric pressure search method was used to measure the pressure and temperature for hydrate formation and conduction the three phases of (hydrate-liquid-vapour). The measurements were performed with pressure range (0.1 - 0.4) MPa and the temperatures about (275.2 – 283)K at the concentrations of (0.09,0.17 and 0.26)mol/kg for each salt. The kinetics of R134a clathrate formation for ternary systems (R134a, water and salt) at various types and concentrations of salts. Many objective functions were obtained from the kinetic model for hydrate formation, such as the amount of gas consumed, the growth rate, and the conversion of the water to hydrate. The results showed the effect of the initial pressure on the gas consumed, the rate of growth and water to hydrate conversion, that when the initial pressure increase the moles of R134a gas consumed was increased due to the increased driving force of hydrate formation, also other functions were increased. While the increasing in the concentration of salt for all types will be decreased gas consumed, whereas water to hydrate conversion, the growth rate is slightly decreased. And from the results noticed the presence of different salts in the ternary systems have an effect on the thermodynamics inhibition of refrigerant hydrates and the inhibition increases with the presence of NaCl salt in the ternary system more than other types of salt and also increases with increase the concentration of salt.

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]

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 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.

The laws of change in the form of the subsolidus phase diagram with varying temperature or pressure in a ternary system with stoichiometric compounds were studied using a topological approach. A notion of conjugate phase diagrams in the p–T space was introduced. Five types of phase reactions leading to such diagrams were determined. Topological singularities of conjugate diagrams were found. The determined laws can be used to enumerate conjugate phase diagrams in the subsolidus region, which is particularly significant for solving applied problems of materials science. [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]

Isothermal phase diagrams of ternary systems fullerenol-d–LaCl3–H2O and fullerenol-d–GdCl3–H2O at 25°C are studied via saturation technique. Solubility diagrams are found to be of a simple eutonic type and are characterized by the salting-out of chloride upon adding fullerenol-d, and short branches of LaCl3 · 7H2O and GdCl3 · 6H2O crystallization, where the salting-in effect is observed. [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]

Introduction: Cyclodextrins (CD), are known to form inclusion complexes with a variety of guest molecules both in solution and in the solid state. This can lead to the alteration of properties of guest molecules. Unfortunately, the complexation efficiency of CD is rather low, and can be enhanced by formation of ternary complexes using aminoacids (AA). Sulfadiazine (SDZ) is an antibiotic with extremely low water solubility which limits its therapeutic applications and bioavailability. Objetives: The aim of this work was to increase the aqueous solubility of SDZ by preparing ternary complexes of this drug with β-cyclodextrin (βCD) and an AA as a third auxiliary substance. Materials y Methods: Complex formation was studied by phase solubility analysis (PSA), nuclear magnetic resonance (NMR), differential scanning calorimetry (DSC), thermogravimetric analysis (TG) and scanning electron microscopy (SEM). Results: The apparent stability constants (K C) of the multicomponent complexes were calculated from the solubility diagrams. By the analysis of the NMR spectra, it could be said that the shifts of some protons evidenced the important role of the AA in the formation of multicomponent complexes. Among the AA, Arginine (ARG) proved to have better solubilizing properties for SDZ, reaching an improvement up to 70 times. The use of DSC, TG and SEM suggested the formation of new solid phases between SDZ:βCD:AA. Conclusions: As a result of this research, it was determined that ternary products were more effective in improving drug solubility than the corresponding SDZ:βCD binary system.

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]