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In this revision, it is possible to find different examples of publicly available MatLab Graphical User Interfaces (GUI’s) developed to help researchers and students that have to deal with the challenging problem phase equilibrium data correlation (e.g. LLE, LVE). These examples are: GMcal_TieLinesLL: http://hdl.handle.net/10045/51725 GMcal_TieLinesVL: http://hdl.handle.net/10045/122857 Boundaries_LL_NRTL: http://hdl.handle.net/10045/121471 ParamIni_LL_NRTL: http://hdl.handle.net/10045/130017

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.

[EN] The present study has been carried out in an experimental subject of the Degree in Chemical Engineering of the Universitat Politècnica de València. The study is focused on the results of a test answered by the students about the use of ternary diagrams in one of the laboratory practice sessions. In particular, we analyzed the interpretation by the students of the ternary phase diagrams applied to the solid-liquid extraction process. From the analysis of the answer of 56 students, it can be concluded that the interpretation of binary and pure systems was successful for the major part of the students. However, the students made more mistakes in the interpretation of ternary systems., [ES] La presente investigación se ha llevado a cabo en una asignatura experimental del Grado en Ingeniería Química de la Universitat Politècnica de València. Se han analizado los resultados de los tests que han realizado los estudiantes acerca de los conceptos desarrollados en una de las prácticas de laboratorio. En particular, se ha evaluado la interpretación de diagramas triangulares rectangulares por parte de los estudiantes en su aplicación al proceso de extracción sólido-líquido. Tras analizar las respuestas de 56 estudiantes, se ha concluido que la interpretación de sistemas binarios y de un solo componente se ha llevado a cabo de forma correcta en la mayoría de casos. Sin embargo, en la interpretación de sistemas ternarios los estudiantes han incurrido en errores en una mayor proporción.

Dissertação de Mestrado em Física apresentada à Faculdade de Ciências e Tecnologia Nos últimos anos, tem sido relatada supercondutividade a alta temperatura em vários sistemas ricos em hidrogénio sob alta pressão, sendo um dos mais recentes um composto do sistema ternário C-S-H. A temperatura crítica declarada foi de 15 ºC a 267 GPa. Um problema comum neste tipo de estudos é a dificuldade em determinar a estrutura cristalina dos materiais encontrados. Consequentemente, simulações computacionais têm mostrado ser muito úteis para auxiliar esses estudos a alta pressão. Nesta tese, procurámos novos compostos termodinamicamente estáveis nos sistemas ternários H-C-Se, H-Mg-Se e Li-C-S a alta pressão. Para obter as estruturas cristalinas de menor energia de cada estequiometria AxByCz, aplicámos o Minima Hopping Method (MHM) a esses sistemas ternários a uma pressão de 150GPa e a temperatura zero, restringindo-os a 3≤x≤7; 1≤y≤2; 1≤z≤2 e, se x≤5, x+y+z≤7. No total, identificámos 658 mínimos, que foram selecionados para cálculos mais precisos. Destes, 5 mostraram-se termodinamicamente estáveis (E_hull=0) com mais 5 próximos da estabilidade (abaixo de 50 meV/átomo), dos quais 5 são metálicos. Os 2 materiais metálicos termodinamicamente estáveis são ambos do sistema ternário H-Mg-Se: P-3m1-Mg2H3Se e Cmm2-MgH6Se. Os 3 materiais metálicos próximos da estabilidade são: Imm2-Mg2H3Se2, Immm-MgH4Se2 e C2/m-Li7CS, com uma distância ao convex hull de 28 meV/átomo, 35 meV/átomo e 28 meV/átomo, respectivamente. Materiais no sistema ternário H-C-Se foram todos encontrados acima de uma distância ao convex hull de 100 meV/átomo. Para os casos mais relevantes, também incluímos as estruturas de bandas eletrónicas e densidades de estados correspondentes. In recent years, high temperature superconductivity has been reported in several Hydrogen-rich systems under high pressure, being one of the most recent ones a compound in the C-S-H ternary system. The claimed critical temperature was 15 ºC at 267 GPa. A common issue in this type of studies is the difficulty in determine the crystal structure of the materials found. Consequently, computational works have proved to be very useful helping these high pressure studies. In this thesis, we searched the H-C-Se, H-Mg-Se and Li-C-S ternary systems for new thermodynamically stable compounds at high-pressure. In order to obtain the lowest energy crystal structures of each AxByCz compositions, we applied the Minima Hopping Method (MHM) to those ternary systems at a pressure of 150 GPa and at zero temperature, limited by 3≤x≤7; 1≤y≤2; 1≤z≤2 e, se x≤5, x+y+z≤7. In total we identified 658 minima, which were selected for further, more accurate, calculations. From these, 5 were found to be thermodynamically stable (E_hull=0) with an extra 5 close to stability (under 50 meV/atom), out of which 5 are metallic materials. The 2 thermodynamically stable metallic materials are both from the H-Mg-Se ternary system: P-3m1-Mg2H3Se and Cmm2-MgH6Se. The 3 metallic materials close to stability are: Imm2-Mg2H3Se2, Immm-MgH4Se2 and C2/m-Li7CS, with a energy distance to the convex hull of 28 meV/atom, 35 meV/atom and 28 meV/atom, respectively. Materials in the H-C-Se ternary system were all found above an energy distance of 100 meV/atom to the convex hull. For the most relevant cases, we also include the correspondent electronic band structures and densities of states.

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.

Lien pour fichier : https://oskar-bordeaux.fr/handle/20.500.12278/124281; International audience; 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.

Orientador: João Carlos de Andrade Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Quimica Doutorado Química Analítica Doutor em Ciências

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. Funding agencies: Swedish Research Council (grant number: OPV2.0), Carl Zeiss Foundation

Polynitrile anions are known for their ability to combine with transition metals and co-ligands to form ternary systems. Here we report on the crystal structure of tris­(2–2′-bi­pyridine)­cobalt(II) bis­(1,1,3,3-tetra­cyano-2-eth­oxy­propenide)., 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.

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 CO2+H2O+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. Fil: Pisoni, Gerardo Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahia Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina. Universidad Nacional del Sur. Departamento de Ingeniería Química; Argentina. Universidade Estadual de Maringa; Fil: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahia Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina Fil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina. Universidad Nacional del Sur. Departamento de Ingeniería Química; Argentina Fil: Cardozo Filho, Lucio. Universidade Estadual de Maringa; Brasil

Cu/Mg-composites, the copper matrix of which contains 1, 7 and 2730 magnesium filaments, were obtained by hyrdoextrusion at room temperature. The structure, mechanical and electrical properties of the deformed composite rods and thin wires were investigated. The yield strength and electrical resistivity were theoretically calculated and these estimations were compared with the experimental results. The XRD-method allowed discovering a change of the lattice constant of the Cu-matrix under deformation of the composites. It has been concluded that, under severe plastic deformation, a supersaturated Cu-based solid solution forms on the Cu/Mg-interface. As a result, the strength of the deformed Cu/Mg-composite with minimal volume fraction but maximal surface area of magnesium is abnormally high. A thick Cu-sleeve provides low electrical resistivity of this Cu/Mg-composite. The obtained results can be used for the development of high-strength Cu-based conductors. © 2019 The Authors Ural Branch, Russian Academy of Sciences, UB RAS The work was carried out in the framework of a state task according to the theme ?Pressure? No. AAAA-A18-118020190104-3. The studies of structure and mechanical properties of the samples were carried out at the Electron Microscopy Department and Mechanical Test Department of the Collective-Use Center of the Institute of Metal Physics (Ural Branch, Russian Academy of Sciences). The X-ray diffraction studies were carried out in the ?Composition of Compounds? Center of Collaborative Access, Institute of High-Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences.

Liquid&ndash, liquid equilibria (LLE) characterization is a task requiring considerable work and appreciable financial resources. Notable savings in time and effort can be achieved when the experimental plans use the methods of the optimal design of experiments that maximize the information obtained. To achieve this goal, a systematic optimization formulation based on Semidefinite Programming is proposed for finding optimal experimental designs for LLE studies carried out at constant pressure and temperature. The non-random two-liquid (NRTL) model is employed to represent species equilibria in both phases. This model, combined with mass balance relationships, provides a means of computing the sensitivities of the measurements to the parameters. To design the experiment, these sensitivities are calculated for a grid of candidate experiments in which initial mixture compositions are varied. The optimal design is found by maximizing criteria based on the Fisher Information Matrix (FIM). Three optimality criteria (D-, A- and E-optimal) are exemplified. The approach is demonstrated for two ternary systems where different sets of parameters are to be estimated.

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.

Results of a study on microstructural evolution of eutectic Sn-57 wt.% Bi processed with cooling rates of 10−2, 1 K s−1and approximately 105 K s−1are presented. In order to distinguish different mechanisms of microstructure formation, a comparison with microstructures of different hypoeutectic alloys with compositions down to below the maximum solubility of Bi in Sn–Bi is undertaken. It is found that at the cooling rates of 10−2and 1 K s−1, coupled eutectic growth occurs, leading to lamellar structures with different length scales. At the rapid quenching rates of approximately 105 K s−1, structure formation in the eutectic alloy is qualitatively different. Partitionless solidification resulting in a supersaturated solid solution with the initial composition is observed in both eutectic and hypoeutectic alloys. It is shown that the observed microstructure of the rapidly solidified alloys forms by the decomposition of the supersaturated solid solution.This article is part of the theme issue ‘Heterogeneous materials: metastable and non-ergodic internal structures’.

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. Fil: Tassin, Natalia Giselle. Universidad Nacional de Córdoba. Instituto de Investigación y Desarrollo en Ingeniería de Procesos y Química Aplicada. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigación y Desarrollo en Ingeniería de Procesos y Química Aplicada; Argentina Fil: Mascietti, Vanessa A.. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales; Argentina. Universidade Federal do Rio de Janeiro; Brasil Fil: Cismondi Duarte, Martín. Universidad Nacional de Córdoba. Instituto de Investigación y Desarrollo en Ingeniería de Procesos y Química Aplicada. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigación y Desarrollo en Ingeniería de Procesos y Química Aplicada; Argentina

Diffusion plays a central part in many unit operations. The Maxwell-Stefan model is the dominant model for both gaseous and liquid diffusion. However, it was developed from the kinetic theory of gases, raising the question of whether it can be extended to non-ideal liquid systems. The dynamic fluctuation model is an alternative model based on the Cussler theory and predicts a smaller thermodynamic influence relative to the linear influence of the Maxwell-Stefan model due to dynamic concentration fluctuations. Since the dynamic fluctuation model, which uses the scaling factor α, had improved performance relative to the Maxwell-Stefan model for a wide range of binary systems, it is postulated that this improved performance should also be observed for a ternary system. In this work, the dynamic molecular fluctuation model was extended to a highly non-ideal ternary system, using the same scaling factor α, through matrix manipulation. Using self-diffusion data measured by NMR, mutual diffusion predictions of the developed model and the Maxwell-Stefan model were compared to experimental mutual diffusion data of the partially miscible system ethanol/toluene/n-decane. It is demonstrated that the dynamic fluctuation model gives improved predictions relative to the Maxwell-Stefan approach, consistently with previous observations on binary systems, showing that the reduced thermodynamic influence of the dynamic fluctuation model is an improvement. In addition, we show that the use of local mole fractions, to account for molecular association, in both the dynamic fluctuation and Maxwell-Stefan models, results in improved diffusion predictions for the ternary system. The results confirm that the dynamic fluctuation model improves predictions of mutual diffusion in liquid mixtures, suggesting a non-linear correction to the thermodynamic correction factor. The results also suggest that that the key assumptions in the Maxwell-Stefan model and its derivation, rooted in the kinetic theory of gases, are not entirely accurate for highly non-ideal liquid systems. The optimum α for the ternary system studied here is approximately 0.45, similarly to the optimum α of 0.40 to 0.80 for a range of binary systems previously studied, suggesting that the use of the α scaling factor, which is grounded in scaling laws theory, is of general validity.

Efavirenz (EFZ) is one of the most used drugs in the treatment of AIDS and is the first antiretroviral choice. However, since it has low solubility, it does not exhibit suitable bioavailability, which interferes with its therapeutic action and is classified as a class II drug according Biopharmaceutical Classification System (low solubility and high permeability). Among several drug delivery systems, the multicomponent systems with cyclodextrins and hydrophilic polymers are a promising alternative for increasing the aqueous solubility of the drug. The present study aimed to develop and characterize in a ternary system of EFZ, MβCD and PVP K30. The results showed that the solid ternary system provided a large increase in the dissolution rate which was greater than 80% and was characterized by DSC, TG, XRD, FT-IR and SEM. The use of the ternary system (EFZ, MβCD and PVP K30 1%) proved to be a viable, effective and safe delivery of the drug. The addition of the hydrophilic polymer appeared to be suitable for the development of a solid oral pharmaceutical product, with possible industrial scale-up and with low concentration of CDs (cyclodextrins).

Exploiting the mechanisms responsible for the exceptional properties of aluminum based nitride coatings, we apply ab initio calculations to develop a recipe for designing functional thin film materials based on ternary diborides. The combination of binary diborides, preferring different structure types, results in supersaturated metastable ternary systems with potential for phase transformation induced effects. For the exemplary cases of MxW1 − xB2 (with M = Al, Ti, V) we show by detailed ab initio calculations that the respective ternary solid solutions are likely to be experimentally accessible by modern depositions techniques., Highlights • Interplay and competition of two different structural modifications in ternary borides • Stability of ternary boride systems with respect to spinodal decomposition • Enormous potential of ternary borides for thin film applications

Submitted by Maria Medeiros (maria.dilva1@ufcg.edu.br) on 2018-08-16T13:03:53Z No. of bitstreams: 1 JULIANA CORDEIRO NUNES - TESE (PPGEQ) 2017.pdf: 2293745 bytes, checksum: c60baeed38c440f535a6b8170f9736f4 (MD5) Made available in DSpace on 2018-08-16T13:03:53Z (GMT). No. of bitstreams: 1 JULIANA CORDEIRO NUNES - TESE (PPGEQ) 2017.pdf: 2293745 bytes, checksum: c60baeed38c440f535a6b8170f9736f4 (MD5) Previous issue date: 2017-09-15 A pesquisa por fontes alternativas de energia tem sido cada vez mais intensa. Nesse contexto, surge o biodiesel, biocombustível que apresenta as seguintes características: emite menos poluente que o diesel de petróleo, biodegradável, renovável, não tóxico, dentre outras. O biodiesel é produzido através da reação de transesterificação, onde o óleo vegetal ou a gordura animal reage com álcool de cadeia curta na presença de um catalisador. O óleo de girassol é uma oleaginosa com potencial utilização para a produção do biodiesel, visto que pode ser plantada no Nordeste brasileiro no período chuvoso. Após a reação de transesterificação, o produto reacional contém impurezas que precisam ser retiradas e, para isso, devem ser realizadas a lavagem e a purificação do produto reacional. Para realizar a lavagem e a purificação é necessário conhecer o equilíbrio líquido-líquido de misturas formadas por água, glicerina, biodiesel e álcool. E, para isso, pode ser preciso ter posse dos dados termodinâmicos. O objetivo deste trabalho é realizar o estudo termodinâmico sobre o equilíbrio de fases de sistemas ternários (biodiesel de girassol – álcool – glicerina) e pseudoquaternários (biodiesel de girassol – álcool – glicerina – água/ácido diluído). Para isso, foi utilizado o método da minimização da energia de Gibbs, à temperatura e pressão constantes. Para representar as fases formadas em cada sistema, foi empregado o modelo UNIQUAC. Os parâmetros de interação binária entre os compostos foram estimados através do método dos mínimos quadrados. O sistema ternário formado por biodiesel metílico de girassol – metanol – glicerina, foi analisado à 25ºC, 35ºC e 45ºC e foi observado que o efeito da temperatura foi pouco expressivo, havendo uma pequena redução da região de imiscibilidade à 45ºC. Foram estudados os sistemas pseudo-quaternários formados por biodiesel metílico de girassol – metanol – glicerina – água destilada/ácido sulfúrico diluído, o sistema ternário de biodiesel etílico de girassol – etanol – glicerina e também os sistemas pseudo-quaternários formados por biodiesel etílico de girassol – etanol – glicerina – água destilada/ácido sulfúrico diluído. Em todos os sistemas pseudo- quaternários foi observado que a presença de água/ácido diluído: aumenta a região de separação de fases, não havendo alteração expressiva no comportamento da curva ao aumentar a quantidade de água destilada/ácido diluído de 50% para 75% em relação à massa da glicerina; e diminui a solubilidade do biodiesel na fase rica em glicerina+água destilada/ácido diluído. Na modelagem termodinâmica do ELL, os dados experimentais foram comparados com os valores calculados pelo modelo UNIQUAC, onde obteve-se uma boa concordância entre os dados experimentais e os valores calculados, uma vez que o maior desvio apresentado foi de 0,27%. Isso mostra que, no estudo no ELL dos sistemas analisados, podem ser utilizados os parâmetros calculados. Observou-se que é satisfatório o uso do modelo UNIQUAC para tais sistemas. The search for alternative sources of energy has been increasingly intense. In this context, it appears the biodiesel, biofuel that has the following characteristics: it emits less pollutant than petroleum diesel, biodegradable, renewable, non-toxic, among others. biodiesel is produced through the transesterification reaction, where vegetable oil or animal fat reacts with short chain alcohol in the presence of a catalyst. Sunflower oil is an oleaginous with potential use for the production of biodiesel, since it can be planted in the Brazilian Northeast during the rainy season. After the transesterification reaction, the reaction product contains impurities that need to be removed and, for this, the wash and purification of the reaction product must be carried out. To carry out the washing and the purification it is necessary to know the liquid-liquid equilibrium of mixtures formed by water, glycerine, biodiesel and alcohol. And for that, it may be necessary to have possession of the thermodynamic data. The objective of this work is to perform the thermodynamic study on the phase equilibrium of ternary systems (sunflower biodiesel - alcohol - glycerin) and pseudo - quaternaries (sunflower biodiesel - glycerine - water / diluted acid). The Gibbs energy minimization method was used at constants temperature and pressure. To represent the phases formed in each system, the UNIQUAC model was used. The parameters of binary interaction between the compounds were estimated using the least squares method. The ternary system formed by sunflower methyl biodiesel - methanol - glycerin was analyzed at 25ºC, 35ºC and 45ºC and it was observed that the effect of the temperature was not very expressive, with a small reduction of the region of immiscibility at 45ºC. We studied the pseudo quaternary systems formed by sunflower methyl biodiesel - methanol - glycerol - distilled water / diluted sulfuric acid, the ternary l system of ethyl biodiesel of sunflower - ethanol – glycerin and also the pseudo - quaternary systems formed by sunflower ethyl biodiesel - ethanol - glycerin - distilled water / diluted sulfuric acid. In all pseudo-quaternary systems it was observed that the presence of diluted water / diluted acid: increases the region of phase separation, with no significant change in the behavior of the curve by increasing the amount of distilled water / diluted acid from 50% to 75% relative to the glycerol mass; and decreases the solubility of biodiesel in the rich phase at glycerin + distilled water / dilute acid. In the thermodynamic modeling of the LLE, the experimental data were compared with the values calculated by the UNIQUAC model, where a good agreement was obtained between the experimental data and the calculated values, since the largest deviation was 0.27%. This shows that, in the LLE study of the analyzed systems, the calculated parameters can be used. It was observed that the use of the UNIQUAC model for such systems is satisfactory.

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., Side group effect in ternary polymer solar cells is studied by adopting polymers with different side groups. With appropriate side group modification, high power conversion efficiency (PCE) over 13% is realized, which could mainly be attributed to the broadened photoresponse and optimized molecular stacking. The results demonstrate that side group plays a crucial role in determining the molecular stacking of ternary heterojunction.

In this work the usefulness of qualitatively studying and drawing three-dimensional temperature–composition diagrams for ternary systems is pointed out to understand and interpret the particular behavior of the liquid–vapour equilibrium of non-ideal ternary systems. Several examples have been used in order to highlight the interest and the possibilities of this tool, which should be an interesting support not only for lecturers, but also for researchers interested in experimental equilibrium data determination. The authors are grateful to the University of Alicante for the funding of the “Grupo de Innovación Tecnológica-Educativa (GITE) de Ingeniería Química”, where this work has been carried out.

Ternary CuO-ZrO2-Al2O3 catalysts promoted by palladium or gold were prepared and tested in CO hydrogenation reaction at 260°C under elevated pressure (4.8 MPa). The promotion effect of palladium or gold addition on the physicochemical and catalytical properties of CuO-ZrO2-Al2O3 catalysts in methanol synthesis (MS) was studied. The catalysts were characterized by BET, XRD, TPR-H2, TPD-NH3 methods. The BET results showed that the ternary system CuO-ZrO2-Al2O3 had the largest specific surface area, cumulative pore volume and average pore size in comparison with the promoted catalysts. The yield of methanol can be given through the following sequence: 5%Pd/CuO-ZrO2-Al2O3 > CuO-ZrO2-Al2O3 > 2%Au/CuO-ZrO2-Al2O3. We also found that the presence of gold or palladium on catalyst surface has strong influence on the reaction selectivity. The high selectivity of gold doped ternary catalyst is explained by the gold-oxide interface sites created on the catalyst surface and the acidity of those systems. The higher selectivity to methanol in the case of the palladium catalyst is explained by the spillover effect between Pd and CuO.

The aim of this research is to estimate the effect of pozzolanic substitutes on the temperature generated by the hydration and on the final strength of concrete. Differential thermal analyses (DTA) were conducted. Ternary cementitious systems with different ratios of Portland cement, silica fume and calcined illite clay were investigated. The results showed that the rates of pozzolanic reaction and portlandite consumption in the silica fume-blended cement pastes are higher than in the illite clay-blended cement pastes., 12th international conference “Modern Building Materials, Structures and Techniques” (MBMST 2016), The research leading to these results has received the funding from Latvia state research program under grant agreement "Innovative materials and smart technologies for environmental safety, IMATEH”.

International audience; Glasses in the BaO-SnO-P2O5-B2O3 system were prepared and evaluated in order to formulate preform glasses suitable for the fabrication of fiber cores with a very low photoelastic constant. A first glass system (I: xBaO-(60-x)SnO-40P2O5) was designed with a constant P2O5 content and various BaO contents (0-40 mol. %). Introduction of 3 mol. % of B2O3 to enhance the glass stability leads to the second glass system (II: x′BaO-(57-x′)SnO-40P2O5-3B2O3) with 33-38 mol. % BaO. The structure of both systems was investigated by 1D/2D magic-angle spinning nuclear magnetic resonance, Raman, and Fourier transform infrared spectroscopic techniques. 31P NMR showed the presence of Q2 and Q1 units in the first system and correlation 11B/31P NMR indicated that boron enters into the network as B(OP)4 structural units. The photoelastic constant was determined and the stability of the best formulations as well as their refractive index dispersion was established. The drawing temperature and isothermal heating time (without crystal precipitation) parameters were also accurately measured by using experimental time-temperature-transition. Considering that the refractive indices of the core and the cladding materials must match, detailed core and cladding compositions for a fiber enabling single-mode waveguide transmission were proposed.

On undergraduate courses, practical classes represent periods in which students can verify the concepts presented in theoretical classes. Conversely, the teaching internship in graduate programs allows these students to incorporate pedagogical practices into their experience, predominantly involving observation and reproduction of methods adopted by supervisors. We propose internship teaching as a period for reflection on our pedagogical practice and present a methodology for an experimental physical chemistry classroom. The students can interact with the experiment and instructor, furthering the study of ternary systems while developing their skills for investigative work.

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. Introducción: Las ciclodextrinas (CD), son capaces de formar complejos de inclusión con una variedad de moléculas huésped, tanto en solución y en estado sólido, pudiendo producir la modificación de las propiedades de las moléculas huésped. Desafortunadamente, la eficiencia de la formación de complejos con CD es baja, lo cual se puede mejorar mediante la formación de complejos ternarios utilizando aminoácidos (AA). Sulfadiazina (SDZ) es un antibiótico con muy baja solubilidad en agua que limita su biodisponibilidad y sus aplicaciones terapéuticas. Objetivos: El objetivo de este trabajo fue aumentar la solubilidad acuosa de SDZ mediante la preparación de complejos ternarios con β-ciclodextrina (βCD) y un AA como una tercera sustancia. Materiales y Métodos: La formación de complejos se estudió por análisis de solubilidad de fases (PSA), resonancia magnética nuclear (RMN), calorimetría diferencial de barrido (DSC), análisis termogravimétrico (TG) y microscopía electrónica de barrido (SEM). Resultados: Las constantes de estabilidad aparente (K C) de los complejos multi-componentes se calcularon a partir de los diagramas de solubilidad. Por el análisis de los espectros de RMN se constató, por los corrimientos de algunos protones, el papel importante de los AA en la formación de complejos ternarios. Entre los AA, arginina (ARG) demostró tener mejores propiedades de solubilización para SDZ, alcanzando una mejora de hasta 70 veces. El uso de DSC, TG y SEM sugirió la formación de nuevas fases sólidas entre SDZ:βCD:AA. Conclusiones: Como resultado de esta investigación, se determinó que los productos ternarios fueron más eficaces en la mejora de la solubilidad del fármaco que el sistema binario SDZ: βCD.

The authors thank the Fondo para la Investigación Científica y Tecnológica (FONCYT) Préstamo BID PICT 1376, the Secretaría de Ciencia y Técnica de la Universidad Nacional de Córdoba (SECyT), and the Consejo Nacional de Investigaciones Científicas y Tecnológicas de la Nación (CONICET) for financial support. We also thank Ferromet S.A. (agent of Roquette in Argentina) for its donation of β-cyclodextrin. We are grateful to Dr. Gloria Bonetto for NMR measurements and for her helpful discussion of the 1H NMR spectra., 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 (KC) 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., Introducción: Las ciclodextrinas (CD), son capaces de formar complejos de inclusión con una variedad de moléculas huésped, tanto en solución y en estado sólido, pudiendo producir la modificación de las propiedades de las moléculas huésped. Desafortunadamente, la eficiencia de la formación de complejos con CD es baja, lo cual se puede mejorar mediante la formación de complejos ternarios utilizando aminoácidos (AA). Sulfadiazina (SDZ) es un antibiótico con muy baja solubilidad en agua que limita su biodisponibilidad y sus aplicaciones terapéuticas. Objetivos: El objetivo de este trabajo fue aumentar la solubilidad acuosa de SDZ mediante la preparación de complejos ternarios con β-ciclodextrina (βCD) y un AA como una tercera sustancia. Materiales y Métodos: La formación de complejos se estudió por análisis de solubilidad de fases (PSA), resonancia magnética nuclear (RMN), calorimetría diferencial de barrido (DSC), análisis termogravimétrico (TG) y microscopía electrónica de barrido (SEM). Resultados: Las constantes de estabilidad aparente (KC) de los complejos multi-componentes se calcularon a partir de los diagramas de solubilidad. Por el análisis de los espectros de RMN se constató, por los corrimientos de algunos protones, el papel importante de los AA en la formación de complejos ternarios. Entre los AA, arginina (ARG) demostró tener mejores propiedades de solubilización para SDZ, alcanzando una mejora de hasta 70 veces. El uso de DSC, TG y SEM sugirió la formación de nuevas fases sólidas entre SDZ:βCD:AA. Conclusiones: Como resultado de esta investigación, se determinó que los productos ternarios fueron más eficaces en la mejora de la solubilidad del fármaco que el sistema binario SDZ: βCD.

Thermodynamic description of the ternary Cu-Mg-Sn system at its Cu-Mg side is presented. The thermodynamic parameters of the binary sub-systems, Cu-Mg, Cu-Sn and Mg-Sn, are taken from the earlier SGTE-based assessments (modifying the Mg-Sn description slightly) and those of the Cu-Mg-Si system are optimized in this study using the experimental thermodynamic and phase equilibrium data. The solution phases of the systems are described with the substitutional solution model and the intermetallic Cu2Mg compound (Laves C15), treated as simple semi-stoichiometric phases of the (A,B)pCq type, is described with the twosublattice model. The present ternary description is valid for tin contents up to 45 wt% (xSn?0.30).

Prediction of bulk metallic glass (BMG) forming compositions has always been a challenge due to thermodynamic and kinetic constraints. In the present investigation, a parameter based on the enthalpy of chemical mixing (?Hchem) and the mismatch entropy (?S?/ kB) has been used to correlate with glass forming ability in some Zr based BMGs. The new thermodynamic parameter, PHS = ?H chem � ?S?/kB, is found to have strong correlation with glass forming ability in the configurational entropy (?Sconfig/R) range of 0.9-1.0. PHS has been calculated for compositions in Zr-Cu-Ag, Zr-Cu-Al, Zr-Cu-Ti and Zr-Cu-Ga ternary systems. It is observed that in all the systems studied, the best BMG composition (highest critical diameter (Zc) of glass formation) is the one that corresponds to the highest negative PHS value. Present approach using PHS could be road map to design new BMG forming compositions. � 2011 Elsevier B.V. All rights reserved.

A thermodynamic model parameter P H-S, which is a product of enthalpy of chemical mixing and mismatch entropy normalized by Boltzmann's constant, was used as a guiding tool to predict amorphous phase forming compositions in Fe-rich alloys of the Fe-Zr-B system. Attempts were made to evaluate the effect of Zr addition on the P H-S parameter and phase formation by mechanical alloying (MA) and rapid solidification processing (RSP). A systematic evaluation of the P H-S parameter of various binary compounds in the Fe-Zr-B system and ternary alloys indicated ?-7 kJ/mol as a lower bound for the formation of amorphous phase. Model predictions were verified with phase formation in two random compositions in the Fe-rich end of the Fe-Zr-B system synthesized by MA and RSP. � 2011 The Minerals, Metals & Materials Society and ASM International.

In the present work the structure and morphology of the phases of nanocomposites formed in rapidly solidified Al–Fe alloys were investigated in details using analytical transmission electron microscopy and X-ray diffraction. Nanoquasicrystalline phases, amorphous phase and intermetallics like Al 5 Fe 2 , Al 13 F 4 coexisted with α-Al in nanocomposites of the melt spun alloys. It was seen that the Fe supersaturation in α-Al diminished with the increase in Fe content and wheel speed indicating the dominant role of the thermodynamic driving force in the precipitation of Fe-rich phases. Nanoquasicrystalline phases were observed for the first time in the dilute Al alloys like Al–2.5Fe and Al–5Fe as confirmed by high resolution TEM. High hardness (3.57 GPa) was measured in nanocomposite of Al–10Fe alloy, which was attributed to synergistic effect of solid solution strengthening due to high solute content (9.17 at.% Fe), dispersion strengthening by high volume fraction of nanoquasicrystalline phase; and Hall–Petch strengthening from finer cell size (20–30 nm) of α-Al matrix.

The effect of tube diameter on two-phase frictional pressure drop was investigated in circular tubes with inner diameters of 0.6, 1.2, 1.7, 2.6 and 3.4. mm using air and water. The gas and liquid superficial velocity ranges were 0.01-50. m/s and 0.01-3. m/s, respectively. The gas and liquid flow rates were measured and the two-phase flow pattern images were recorded using high-speed CMOS camera. Unique flow patterns were observed for smaller tube diameters. Pressure drop was measured and compared with various existing models such as homogeneous model and Lockhart-Martinelli model. It appears that the dominant effect of surface tension shrinking the flow stratification in the annular regime is important. It was found that existing models are inadequate in predicting the pressure drop for all the flow regimes visualized. Based on the analysis of present experimental frictional pressure drop data a correlation is proposed for predicting Chisholm parameter " C" in slug annular flow pattern. For all other flow regimes Chisholm's original correlation appears to be adequate except the bubbly flow regime where homogeneous model works well. The modification results in overall mean deviation of pressure drop within 25% for all tube diameters considered. This approach of flow regime based modification of liquid gas interaction parameter appears to be the key to pressure drop prediction in narrow tubes. � 2010 Elsevier Inc.

The technology for in-plane poly-Si thermopiles has been developed. The bulkmicromachined thermopiles are located between two Si bars and connected thermally with those bars through thin-film thermal shunts. The patterned strips of thermocouple material together with thermal shunts form bridges between Si bars. Two versions of a thermoelectric generator (TEG) with micromachined thermopiles have been assembled and tested on a person's wrist, and when integrated in a T-shirt. The TEG still produces less than 1 μW in the office, but at ambient temperatures below 11-13 °C it produces more than 1 μW at a voltage of more than 2 V on the matched load. The new way of integration of wearable TEG in clothing is shown. The TEG is located under the textile, and the fabric is used as a flexible radiator. © 2011 IFSA.

The effect of tube diameter on two-phase flow patterns was investigated in circular tubes with inner diameters of 0.6, 1.2, 1.7, 2.6, and 3.4 mm using air and water. The gas and liquid superficial velocity ranges were 0.01–50 and 0.01–3 m/s, respectively. The gas and liquid flow rates were measured and the two-phase flow pattern images were recorded using high-speed CMOS camera. The flow patterns observed were dispersed bubbly, bubbly, slug, slug-annular, wavy-annular, stratified, and annular flows. These flow patterns were not observed in all the test diameters, but were found to be unique to particular tube diameters, confirming the effect of tube diameter on the flow pattern. The data obtained were compared to existing experimental data and flow regime transition maps which show generally reasonable overall agreement at the larger diameters, but significant differences were observed with the smaller diameter tubes. On a analyse l'effet du diametre des tubes dans des modeles d'ecoulement biphase dans des tubes circulaires avec des diametres internes de 0,6, 1,2, 1,7, 2,6 et 3,4 mm en utilisant de l'air et de l'eau. Les ecarts de vitesse superficielle de gaz et de liquide etaient de 0,01–50 m/s et 0,01–3 m/s respectivement. Les debits de gaz et de liquide ont ete mesures et les images des modeles d'ecoulement biphase ont ete enregistrees a l'aide d'un appareil photo CMOS haute vitesse. Les modeles d'ecoulement observes etaient l'ecoulement a bulles, a bulles, en piston, en piston annulaire, ondule annulaire, stratifie et annulaire. Ces modeles d'ecoulement n'ont pas ete observes dans tous les parametres d'essai, mais on a constate qu'ils etaient uniques aux diametres de tubes particuliers, ce qui confirme l'effet du diametre des tubes sur le modele d'ecoulement. Les donnees obtenues ont ete comparees aux donnees experimentales existantes et aux cartes de transition des regimes d'ecoulement qui demontrent un accord global raisonnable de facon generale aux parametres plus grands, mais des differences importantes ont ete observees dans les tubes aux diametres plus petits.

This paper describes the characterization method and results for bulk- micromachined in-plane thermopiles. Made of poly-Si or poly-SiGe, the thermocouple legs bridge the hot and cold side of a Si frame, which is formed by bulk micromachining. The characterization of the fabricated devices is carried out on a dedicated experimental setup, using which a uniform temperature difference can be imposed on all the thermocouples. Among design variations, the open-circuit output voltage reaches up to 95.0 mV/K and the corresponding output power on a matched external load is 2.34 × 10-3 μW/K2. Two possible assembly schemes towards a fully fledged thermoelectric generator are illustrated as well. In the case of vertical assembly, the efficiency factor is expected to be 1.73 × 10-2 μW/K2/cm2. © 2010 TMS.

Preliminary studies on the design of lead-free solders precursors by wet chemistry methods are presented. The main objective is to assess the impact of the way of hydroxide precipitates preparation on the metal elements content of the precipitates. Namely, ternary hydroxide mixtures of three systems: a. Cu(II), Bi(III), Sn(II); b. Cu(II), Bi(III), Sb(III); and c. Cu(II), Bi(III), Zn(II) were prepared, firstly, by single-element precipitation and, secondly, by co-precipitation. Thereafter, all mixtures were reduced by using hydrogen gas. Both, the initial mixtures and the reduced samples were studied by X-ray diffraction, optical and scanning electron microscopes. The chemical compositions of the precipitates were determined experimentally and their dependence on the pH was verified. It was found that alloying occurred during the reduction procedure, but in some cases the reduction was not complete (i.e. oxide phases rest in the samples). This might be a huge obstacle to use such an approach for the preparation of lead-free solders. Moreover, the materials obtained after reductions apparently are bulk alloys, thus, the preparation of small-sized metal particles would be a challenge. Another key feature to be addressed in future studies is the correlation between the chemical compositions of the parent solution and these of the corresponding precipitates.

The danger of the formation of flakes has been considered from the position of the estimation of the maximum pressure of gaseous hydrogen in micropores of the alloy, whose magnitude is substantially affected by the solubility of hydrogen at P = 1 atm. The hydrogen solubility can be increased sharply by the introduction of additions of elements which strongly interact with hydrogen. In our article this effect is examined based on the example of additions of palladium to steel, which has for the first time been experimentally studied by Arkharov. A statistical model of a ternary alloy with strongly interacting substitutional and interstitial atoms has been developed. An equation of hydrogen solubility has been derived, which contains, besides the concentration of substitutional atoms, a single energy parameter ε equal to the difference in the energies of interaction of Pd-H and Fe-H pairs. A comparison of the theoretical expression for the solubility with the experimental data made it possible to determine that ε = -22.5 kJ/mol. A specific feature of hydrogen solubility in Fe-Pd alloys consists in the fact that the reduction in the solubility below 400 K, which is common for iron and steels, is changed by a solubility increase caused by the accumulation of hydrogen atoms near palladium atoms (acting as traps), which is the main factor responsible for an increase in the hydrogen solubility and a sharp decrease in the hydrogen pressure in micropores. © 2009 Pleiades Publishing, Ltd.

Mesoporous silica particles with various morphologies and structures have been synthesized by controlling the solubility, micellization, and assembly of a charged surfactant (cethyltrimethylammonium bromide, CTAB) and a pluronic (PEO20PPO70PEO20, P123) couple using an organic (benzene) or an inorganic (SO4 2-, NO3 -, or Cl-) additive. The effect of CTAB, with or without one of the Hofmeister ions or benzene in various concentrations, on the morphology, pore-size, pore-structure and the nature of the silica particles has been investigated. Increasing the lyotropic anion (SO4 2-) or benzene concentration of the synthesis media creates wormlike particles with enlarged pores and reduced wall thickness. However, the hydrotropic anion (NO3 -) influenced the solubility of the charged surfactant and increased the CTAB concentration in the CTAB-P123 micelles, and as a result, in the mesoporous silica particles. The surface area, unit cell, and pore size of the silica particles are diminished by increasing the nitrate ion centration. The effects of the Cl- ion are between the SO4 2- and NO3 -ions. It influenced the P123 at low and CTAB at high concentrations. At low CTAB/ P123 mol ratios, the Cl- ion affects mainly the P123, but at high CTAB/P123 it affects both the CTAB and P123. By carefully adjusting these ingredients (CTAB, SO4 2-, Cl-, NO3 - and benzene), not only the morphology of the particles, but also the pore-size and pore-structure of the mesoporous silica particles could be adjusted. The investigations were carried out by preparing a series of powder samples and, by varying the CTAB/P123 mol ratio (between 3.0 and 6.0) and the concentration of the organic (0.17 to 0.90 M) or inorganic (at 0.25, 0.50, or 1.00 M) additive in the synthesis media. The powder samples were analyzed using microscopy (SEM, TEM, and POM), diffraction (PXRD), and spectroscopy (FTIR, Raman, UV-vis, and EDS) techniques toward above goals. © 2009 American Chemical Society.

Článek se zabývá korelací výsledků získaných při výzkumu skelných systémů CdXxAs2. Je zdůrazněno, že CdAs2 má unikátní pozici mezi dalšími di-arsenidy a to především díky velmi krátké vzdálenosti As-As. Byla nalezena korelace mezi regiony formování skla v ternárním systému Cd-X-As a symetrií a stabilitou odpovídajících krystalických fází, které lze separovat z taveniny při rovnovážném chlazení. Ukazuje se, že příměsi podporující formování skla (Ge a Si) vstupují do skelné sítě CdAs2 různě z Ti a Sb. Tyto závěry jsou v souladu s experimenty. Tato práce neuvádí nová experimentální data, nabízí ale jakousi kostru pro analýzu a interpretaci dříve získaných experimentálních dat. An attempt is made to correlate some results obtained during the investigation of glasses of CdXxAs2 systems. It is pointed out that CdAs2 has a unique position among the other di-arsenides because of the very short As–As distance. A correlation was found between the region of glass-formation in the Cd–X–As ternary system and the symmetry and stability of the corresponding crystalline phases that can be separated from the melt under equilibrium cooling. There are indications, that admixtures favouring glass-formation (Ge and Si) enter the glassy network of CdAs2 differently from Tl and Sb. These conclusions are in agreement with the physical measurements. The work does not actually present new experimental data, but builds a framework for analysing and explaining previously published data.

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.

The results of the phase relations near ternary eutectic point in the Ag-In-Sb system are investigated in this paper. Phase equilibrium calculation was done using Thermocalc software and experimental DTA results for the chosen alloys in the isopleths with molar ration of In:Sb = 7:3; 9:1 and 1:1. The structural characteristics of these alloys have been investigated using light optic microscopy and scanning electron microscopy, while hardness measurements have also been done. Solidification path for three ternary alloys located on three different investigated isopleths was calculated using Pandat software.

(Liquid + liquid) equilibrium (LLE) data for the ternary mixtures of {water (1) + acetic acid (2) + ethyl acetate (3)} were determined at T = 298.2 K and atmospheric pressure. The concentration of each phase was determined by acidimetrictitration, the Karl Fischer technique. The reliability of the experimental data wasdetermined through the Othmer–Tobias and Hand plots. Distribution coefficients and separation factorswere evaluated over the immiscibility regions. The results show that ethyl acetate is satisfactory solvent for extraction of acetic acid from water.

Phase diagrams of ternary blends of poly(phenylene ether) (PPE, M n = 1.2 and 12 kg mol-1), polystyrene (PS, Mn = 22.5 kg mol-1), and diglycidyl ether of bisphenol A (DGEBA) were experimentally obtained in an extended range of temperatures and fitted with the Flory-Huggins model using three binary interaction parameters. A significant increase in miscibility together with the appearance of an immiscibility loop was found for PPEs with Mn values comprised in the range between 1 and 10 kg mol-1. This enables us to obtain initial homogeneous solutions in regions of high DGEBA concentrations, a possibility that was not previously reported for this ternary blend. This opens new possibilities for the toughening of epoxies replacing a single thermoplastic with a thermoplastic blend where both components (PS and PPE) are completely miscible. Fil: Soulé, Ezequiel Rodolfo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina Fil: Fine, T.. Institut National des Sciences Applique´s de Lyon; Francia Fil: Borrajo Fernandez, Julio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina Fil: Williams, Roberto Juan Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina Fil: Pascault, J.P.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina

International audience; Letter to the editor : The hydride CeNiInH1.8(1) has been studied by magnetization measurements. It exhibits a ferromagnetic behaviour below TC = 6.8(2) K. In other words, the insertion of hydrogen in CeNiIn induces a cerium valence transition from intermediate valence to the trivalent state.

International audience; The influence of acetate on U(VI) sorption on silica from aqueous solutions was studied at pH 2–7 by complementary experimental methods of macroscopic measurement, spectroscopic investigation and thermodynamic calculation. Sorption percentage of U(VI) in the absence and in the presence of different acetate concentrations was determined by batch sorption procedures. Attenuated total reflection Fourier transform infra-red spec-troscopy (ATR-FTIR) was used to elucidate the mechanisms of uranyl sorption on silica in the presence of acetate, by investigating, in-situ, the changes in the U(VI) sorption on silica surface in presence of ligand: the absorption bands of carboxylate ν(COO) in the range 1300–1700 cm −1 and those around 850–950 cm −1 of uranyl species νas(UO 2) are followed. The decrease of U(VI) sorption with increasing acetate concentration was observed. Sorption of U(VI)-acetate (U-Ac) species on silica surface was demonstrated for the first time. ATR-FTIR investigations clearly evidenced the absorption bands characteristic of sorbed U-Ac complexes both from the acetate and uranyl spectral regions those the wavenumbers correspond to sorbed species. No sequence effect of acetate and uranyl on the sorption on silica in ternary systems U(VI)-acetate-silica was observed from the sorption data. From the ATR-FTIR investigations, we can induce that the sorption of U-Ac leads to chemical equilibria and makes possible the modeling of sorption isotherms by surface complexation models. The related thermodynamic constants were modeled using CCM surface complexation modeling.

The addition of small amounts of a secondary fluid to a suspension can, through the attractive capillary force, lead to particle bridging and network formation. The capillary bridging phenomenon can be used to stabilize particle suspensions and precisely tune their rheological properties. This effect can even occur when the secondary fluid wets the particles less well than the bulk fluid. These materials, so-called capillary suspensions, have been the subject of recent research studying the mechanism for network formation, the properties of these suspensions, and how the material properties can be modified. Recent work in colloidal clusters is summarized and the relationship to capillary suspensions is discussed. Capillary suspensions can also be used as a pathway for new material design and some of these applications are highlighted. Results obtained to date are summarized and central questions that remain to be answered are proposed in this review., Comment: Review article published in Current Opinion in Colloid & Interface Science

Three's company: The first genuine ternary colloidal crystal (see picture) is composed of PbSe nanocrystals of two different diameters (blue and green) and of CdSe nanocrystals (red). Electron tomography shows that the superlattice is isostructural with the atomic lattice AIMgB4.

The results of the determination of the thermodynamic properties for ternary systems Cr.Co.Me (Me = Mo, Al) using a new general solution model for the predictions are presented in this work. For five sections (with mole ratio Co :Me = 2:8, 4:6, 5:5, 6:4, 8:2) investigated in each ternary system at temperature of 2000 K, integral molar excess Gibbs energies and partial molar thermodynamic properties of chromium were calculated.

An extension of Barker's method to ternary systems is briefly outlined. Expressions for the standard deviations of the excess molar Gibbs free energy and the equilibrium pressure as functions of composition are obtained. These expressions are applied to accurate experimental data for the cryogenic (liquid) mixture CH3F+N2O+Xe recently measured in our laboratory. http://www.sciencedirect.com/science/article/B6TG2-3VGSGDR-4/1/e3c29abb1f0602ee677ab2a9887b8eee