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Journal articles on the topic 'Chemical equilibrium. Phase diagrams. Chemistry'

Author: Grafiati

Published: 4 June 2021

Last updated: 13 February 2022

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1

Toikka, Alexander, and Maria Toikka. "Solubility and critical phenomena in reactive liquid–liquid systems." Pure and Applied Chemistry 81, no. 9 (2009): 1591–602. http://dx.doi.org/10.1351/pac-con-08-11-04.

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The goal of this work is to consider solubility phenomena in reactive fluid mixtures with liquid-phase splitting. One of the main tasks is to analyze peculiarities of liquid–liquid (LL) systems with equilibrium and nonequilibrium chemical reaction. The special aim is to consider the critical states in these systems. The reactive liquid–liquid equilibrium (LLE) is treated on the base of phase rule. The topology of diagrams of reactive LLE is discussed for some types of binary and ternary systems. Examples are presented of a possible transformation of phase diagrams caused by the shifting of chemical equilibrium and by changes in the shape of the binodal. The transformations resulting in the reactive critical phase formation are considered. Quaternary mixtures are also discussed with the use of experimental data on the solubility in the system with n-propyl acetate synthesis reaction. The mutual crossing of the chemical equilibrium surface and binodal in the composition tetrahedron leads to the origin of the area of simultaneous chemical and LLE with two critical points (reactive critical phases). The shape of the curve of simultaneous chemical and phase equilibrium is also presented in the square of transformed composition variables.

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2

Toikka, Maria, and Alexander Toikka. "Peculiarities of phase diagrams of reactive liquid–liquid systems." Pure and Applied Chemistry 85, no. 1 (2012): 277–88. http://dx.doi.org/10.1351/pac-con-12-05-07.

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The goal of this work is to consider some peculiarities of heterogeneous systems with chemical interactions. The main task is to analyze the features of liquid–liquid (LL) phase diagrams of the systems with equilibrium and nonequilibrium chemical reaction in solution. The consideration of topology of these phase diagrams should include additional elements, such as stoichiometric lines, chemical equilibrium (CE), and isoaffinity manifolds (i.e., curves, surfaces, or hypersurfaces of constant affinity). The thermodynamic conditions of mutual disposition of LL tie-lines, isoaffinity, and stoichiometric lines in ternary system are presented in the paper. Quaternary mixtures are discussed with the use of our experimental data on the solubility in the systems with ethyl acetate and n-propyl acetate synthesis reactions. The binodal and CE surfaces in these systems are presented. The opportunity of simultaneous LL and CE is discussed. The special aim is to consider the critical surfaces in these systems: the examples are presented on the basis of our experimental data.

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3

Horsák, Ivan, Petr Pacák, and Ivo Sláma. "Evaluation of phase diagrams of solvate-forming binary systems: The systems dimethyl sulphoxide-lithium nitrate and dimethyl sulphoxide-calcium nitrate." Collection of Czechoslovak Chemical Communications 50, no. 5 (1985): 1001–9. http://dx.doi.org/10.1135/cccc19851001.

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Phase diagrams of the solidus-liquidus type for two dimethylsulphoxide-nitrate systems have been evaluated using a rigorous method proposed previously. As both the systems involve the formation of solvates, the problem solved is one of simultaneous phase and chemical equilibria. The evaluation was performed by optimization of chosen adjustable parameters, namely the equilibrium constant of solvation, interaction parameters in expression for excess free energy, and the temperature and heat of fusion of pure crystalline solvate. In addition, a suitable model had to be found for the activities of ideal mixture components for the given type of system. The paper presents the first experimental data for the phase diagram of the system dimethyl sulphoxide-lithium nitrate

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4

Malpiedi, Luciana Pellegrini, Cintia Fernández, Guillermo Picó, and Bibiana Nerli. "Liquid–Liquid Equilibrium Phase Diagrams of Polyethyleneglycol + Sodium Tartrate + Water Two-Phase Systems." Journal of Chemical & Engineering Data 53, no. 5 (2008): 1175–78. http://dx.doi.org/10.1021/je8000188.

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5

Harjo, Benny, Ka M. Ng, and Christianto Wibowo. "Visualization of High-Dimensional Liquid−Liquid Equilibrium Phase Diagrams." Industrial & Engineering Chemistry Research 43, no. 14 (2004): 3566–76. http://dx.doi.org/10.1021/ie034186x.

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6

Frolkova, Anastasia V., Mark A. Mayevskiy, and Alla K. Frolkova. "Analysis of Phase Equilibrium Diagrams of Cyclohexene + Water + Cyclohexanone + Solvent System." Journal of Chemical & Engineering Data 63, no. 3 (2018): 679–83. http://dx.doi.org/10.1021/acs.jced.7b00870.

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7

Lin, Li, P. Wollants, O. Van Der Biest, and L. Delaey. "A simple method for the calculation of equilibrium phase diagrams." Calphad 18, no. 1 (1994): 89–98. http://dx.doi.org/10.1016/0364-5916(94)90010-8.

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8

Buera, Maria Pilar, Yrjö Roos, Harry Levine, et al. "State diagrams for improving processing and storage of foods, biological materials, and pharmaceuticals (IUPAC Technical Report)." Pure and Applied Chemistry 83, no. 8 (2011): 1567–617. http://dx.doi.org/10.1351/pac-rep-10-07-02.

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Supplemented temperature/composition phase diagrams include the non-equilibrium glass-transition temperature (Tg) curve and equilibrium ice-melting and solubility curves. The inclusion of the non-equilibrium curve allows one to establish relationships with the time coordinate and, thus, with the dynamic behavior of systems, provided that the thermal history of such systems is known. The objective of this report is to contribute to the potential applications of supplemented state diagrams for aqueous glass-formers, in order to describe the influence of water content, nature of vitrifying agents, and temperature on the physico-chemical properties of foods and biological and pharmaceutical products. These data are helpful to develop formulations, processing strategies, or storage procedures in order to optimize the stability of food ingredients and pharmaceutical formulations. Reported experimental data on phase and state transitions for several food and pharmaceutical systems were analyzed. Some methodological aspects and the effect of phase and state transitions on the main potential chemical reactions that can alter those systems during processing and/or storage are discussed.

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9

Reshetov, S. A., and S. V. Kravchenko. "Statistics of liquid-vapor phase equilibrium diagrams for various ternary zeotropic mixtures." Theoretical Foundations of Chemical Engineering 41, no. 4 (2007): 451–53. http://dx.doi.org/10.1134/s0040579507040185.

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10

Wojakowska, Alina, Agata Górniak, and Andrzej Wojakowski. "Thermodynamics and Equilibrium Phase Diagrams of the Zinc Halide + Silver Halide Systems." Journal of Chemical & Engineering Data 49, no. 5 (2004): 1231–35. http://dx.doi.org/10.1021/je034207u.

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11

Povar, Igor, and Oxana Spinu. "The role of hydroxy aluminium sulfate minerals in controlling Al3+ concentration and speciation in acidic soils." Open Chemistry 12, no. 8 (2014): 877–85. http://dx.doi.org/10.2478/s11532-014-0540-4.

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AbstractA thermodynamic approach for the complex chemical equilibria investigation of two-phase systems containing hydroxy aluminium sulfate (HAS) minerals in soils has been developed. This approach utilizes thermodynamic relationships combined with original mass balance constraints, where the HAS mineral phases are explicitly expressed. The factors influencing the distribution and concentrations of various soluble aluminium species have been taken into account. The new type of diagrams, based on thermodynamic, graphical and computerized methods, which quantitatively describe the distribution of soluble and insoluble inorganic, and organic, monomeric and polymeric aluminium species in acidic soil solutions in a large range of pH values has been used. The thermodynamics of equilibria of different natural HAS in soils, the conditions under which solids involving common ions can coexist at equilibrium, the acid-base and mineral equilibria and complex formation have been examined. It has been proved that the presence of sulfate ion dramatically alters the HAS mineral solubility under acidic conditions. The obtained data regarding the factors influencing Al speciation, based on the constructed diagrams of heterogeneous chemical equilibria, are in good agreement with the current experimental and theoretical evidence. The proposed approach is intended to determine the dominant processes that are responsible for the Al3+ concentration levels and its speciation in acidic soils.

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12

Valyashko, V. M. "Derivation of complete phase diagrams for ternary systems with immiscibility phenomena and solid–fluid equilibria." Pure and Applied Chemistry 74, no. 10 (2002): 1871–84. http://dx.doi.org/10.1351/pac200274101871.

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Four main types of binary fluid-phase diagrams and available experimental data on binary systems are used as a starting point for derivation of the systematic classification of binary complete phase diagrams by the method of continuous topological transformations. This method and the classification of binary phase diagrams, containing the boundary versions of phase diagrams with ternary nonvariant points, are applied to derive the main types of fluid and complete phase diagrams for ternary systems with one volatile component and immiscibility phenomena in two constituent binary subsystems. The results gained from this analysis of derived fluid and complete phase diagrams of ternary systems are represented.

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13

Tong, Yao, Zhanzhong Wang, Leping Dang, and Hongyuan Wei. "Solid–liquid phase equilibrium and ternary phase diagrams of ethenzamide-saccharin cocrystals in different solvents." Fluid Phase Equilibria 419 (July 2016): 24–30. http://dx.doi.org/10.1016/j.fluid.2016.02.047.

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14

Kwok, Kui S., Hok C. Chan, Chak K. Chan, and Ka M. Ng. "Experimental Determination of Solid−Liquid Equilibrium Phase Diagrams for Crystallization-Based Process Synthesis." Industrial & Engineering Chemistry Research 44, no. 10 (2005): 3788–98. http://dx.doi.org/10.1021/ie048741m.

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15

Corti, Horacio R., C. Austen Angell, Tony Auffret, et al. "Empirical and theoretical models of equilibrium and non-equilibrium transition temperatures of supplemented phase diagrams in aqueous systems (IUPAC Technical Report)." Pure and Applied Chemistry 82, no. 5 (2010): 1065–97. http://dx.doi.org/10.1351/pac-rep-09-10-24.

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This paper describes the main thermodynamic concepts related to the construction of supplemented phase (or state) diagrams (SPDs) for aqueous solutions containing vitrifying agents used in the cryo- and dehydro-preservation of natural (foods, seeds, etc.) and synthetic (pharmaceuticals) products. It also reviews the empirical and theoretical equations employed to predict equilibrium transitions (ice freezing, solute solubility) and non-equilibrium transitions (glass transition and the extrapolated freezing curve). The comparison with experimental results is restricted to carbohydrate aqueous solutions, because these are the most widely used cryoprotectant agents. The paper identifies the best standard procedure to determine the glass transition curve over the entire water-content scale, and how to determine the temperature and concentration of the maximally freeze-concentrated solution.

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16

Koukkari, Pertti, Risto Pajarre, and Peter Blomberg. "Reaction rates as virtual constraints in Gibbs energy minimization." Pure and Applied Chemistry 83, no. 5 (2011): 1063–74. http://dx.doi.org/10.1351/pac-con-10-09-09.

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The constrained Gibbs energy method has been developed for the use of immaterial entities in the formula conservation matrix of the Gibbs energy minimization problem. The new method enables the association of the conservation matrix with structural, physical, chemical, and energetic properties, and thus the scope of free energy calculations can be extended beyond the conventional studies of global chemical equilibria and phase diagrams. The use of immaterial constraints enables thermochemical calculations in partial equilibrium systems as well as in systems controlled by work factors. In addition, they allow the introduction of mechanistic reaction kinetics to the Gibbsian multiphase analysis. The constrained advancements of reactions are incorporated into the Gibbs energy calculation by using additional virtual phases in the conservation matrix. The virtual components are then utilized to meet the incremental consumption of reactants or the formation of products in the kinetically slow reactions. The respective thermodynamic properties for the intermediate states can be used in reaction rate formulations, e.g., by applying the reaction quotients.

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17

da Cruz Silva, Keycianne, Christian Silva Abreu, Alício Wagner Vieira, Aparecida Barbosa Mageste, Guilherme Dias Rodrigues, and Leandro Rodrigues de Lemos. "Aqueous two-phase systems formed by different phase-forming components: Equilibrium diagrams and dye partitioning study." Fluid Phase Equilibria 520 (October 2020): 112664. http://dx.doi.org/10.1016/j.fluid.2020.112664.

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18

Wang, Chong, Matvei Zinkevich, and Fritz Aldinger. "Phase diagrams and thermodynamics of rare-earth-doped zirconia ceramics." Pure and Applied Chemistry 79, no. 10 (2007): 1731–53. http://dx.doi.org/10.1351/pac200779101731.

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Results of the comprehensive experimental and computational phase studies of the systems ZrO2-REO1.5 (RE = La, Nd, Sm, Gd, Dy, Yb) are summarized. Various experimental techniques, X-ray diffraction (XRD), scanning electron microscopy (SEM), electron probe microanalysis (EPMA), transmission electron microscopy (TEM), differential thermal analysis (DTA), and high-temperature calorimetry are employed to study the phase transformation, phase equilibria between 1400 and 1700 °C, heat content and heat capacity of the materials. A lot of contradictions in the literature are resolved, and the phase diagrams are reconstructed. Based on the experimental data obtained in this work and literature, the systems ZrO2-REO1.5 are thermodynamically optimized using the CALPHAD (CALculation of PHase Diagram) approach. Most of the experimental data are well reproduced. Based on the present experiments and calculations, some clear characteristic evolutions with the change of the ionic radius of doping element RE+3 can be concluded.

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19

Sundman, Bo, Nathalie Dupin, and Bengt Hallstedt. "Algorithms useful for calculating multi-component equilibria, phase diagrams and other kinds of diagrams." Calphad 75 (December 2021): 102330. http://dx.doi.org/10.1016/j.calphad.2021.102330.

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20

Kollau, Laura J. B. M., Mark Vis, Adriaan van den Bruinhorst, Gijsbertus de With, and Remco Tuinier. "Activity modelling of the solid–liquid equilibrium of deep eutectic solvents." Pure and Applied Chemistry 91, no. 8 (2019): 1341–49. http://dx.doi.org/10.1515/pac-2018-1014.

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Abstract Compared to conventional solvents used in the chemical industry, deep eutectic solvents (DESs) are considered as promising potentially sustainable solvents. DESs are binary mixtures and the resulting liquid mixture is characterized by a large melting point depression with respect to the melting temperatures of its constituents. The relative melting point depression becomes larger as the two components have stronger attractive interactions, resulting in non-ideal behavior. The compositional range over which such binary mixtures are liquids is set by the location of the solid–liquid phase boundary. Here we present experimental phase diagrams of various recent and new DESs that vary in the degree of non-ideality. We investigate whether thermodynamic models are able to describe the solid–liquid equilibria and focus on relating the parameters of these models to the non-ideal behavior, including asymmetric behavior of the activity coefficients. It is shown that the orthogonal Redlich–Kister-like polynomial (OP) expansion, including an additional first order term, provides an accurate description. This theory can be considered as an extension of regular solution theory and enables physical interpretation of the fit parameters.

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21

Cao, M., A. P. Malanoski, J. W. Schroer, and P. A. Monson. "Solid–fluid equilibrium for organic molecules: understanding the link between molecular structure and phase diagrams." Fluid Phase Equilibria 228-229 (February 2005): 75–82. http://dx.doi.org/10.1016/j.fluid.2004.08.010.

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22

Babenco, Anatoly A., Leonid A. Smirnov, Alena G. Upolovnikova, and Lyudmila Yu Mikhailova. "Plotting the equilibrium cerium content in metal under the slag of the CaO-SiO2-Ce2O3-15%Al2O3-8%MgO system." Butlerov Communications 60, no. 10 (2019): 140–45. http://dx.doi.org/10.37952/roi-jbc-01/19-60-10-140.

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Using the HSC 6.1 Chemistry (Outokumpu) software package in combination with simplex-lattice planning, we performed thermodynamic modeling of the equilibrium cerium content in a metal containing 0.06% C, 0.25 Si, 0.05% Al (in this expression and further on the text indicates mass%), under the slag of the CaO – SiO2 – Ce2O3 – 15% Al2O3 – 8% MgO system in a wide range of chemical composition at temperatures of 1550 °C and 1650 °C. For each temperature, adequate mathematical models have been obtained in the form of a reduced polynomial of degree III, describing the equilibrium content of cerium in the metal depending on the composition of the slag. The results of mathematical modeling are presented graphically in the form of diagrams of the composition – the equilibrium content of cerium. A marked effect of slag basicity on the distribution of cerium is noted. An increase in slag basicity from 2 to 5 at a temperature of 1550 °C leads to an increase in the equilibrium cerium content in the metal from 0.1 to 7 ppm, i.e. the increase in slag basicity favorably affects the development of cerium recovery process. An increase in metal temperature has a positive effect on cerium recovery. As the temperature rises to 1650 °C, the equilibrium cerium content in the metal increases on average from 0.3 to 10 ppm. In the diagrams of the chemical composition of slags containing 56-61% CaO, 12-14% SiO2 and 15% Al2O3 in the temperature range of 1550 and 1650 °C, we can expect a concentration of cerium in the metal at a level of 7-10 ppm at a content of 4% to 7% Ce2O3 in the original slag. The positive effect of the basicity of the formed slag in the studied range of chemical composition on the cerium reduction process is explained from the standpoint of the phase composition of the slag and the thermodynamics of cerium reduction reactions.

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23

Parmoon, Gholamhossein, Abdorreza Nafchi, and Mohsen Pirdashti. "Effects of the polymer molecular weight and type of cation on phase diagrams of polythylene glycol + sulfate salts aqueous two-phase systems." Chemical Industry 73, no. 6 (2019): 375–85. http://dx.doi.org/10.2298/hemind191003035p.

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Phase diagrams and liquid ? liquid equilibrium (LLE) data for aqueous two-phase systems (ATPSs) containing zinc sulfate, magnesium sulfate or aluminium sulfate and polyethylene glycols PEG 300, 400 and 600 have been determined at 298.15 K. It was attempted to show how the PEG molecular weight and the type of cation influence the binodal curve, tie line length (TLL) and slope of the tie line (STL). The results have shown that as the PEG molecular weight increases, the two-phase region becomes extended and the binodal curve shifts to the origin. The refractive index and density of ternary (PEG 300,400 and 600 + zinc sulfate/magnesium sulfate/aluminium sulfate + water) systems have been measured to achieve the phase composition and the tie lines. Finally, the effective excluded volume (EEV) model was applied to describe the salting-out ability of the systems. The LLE data from this research may be potentially used for recovering biological molecules like proteins.

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24

Abdallah, Maha M., Simon Müller, Andrés González de Castilla, et al. "Physicochemical Characterization and Simulation of the Solid–Liquid Equilibrium Phase Diagram of Terpene-Based Eutectic Solvent Systems." Molecules 26, no. 6 (2021): 1801. http://dx.doi.org/10.3390/molecules26061801.

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The characterization of terpene-based eutectic solvent systems is performed to describe their solid–liquid phase transitions. Physical properties are measured experimentally and compared to computed correlations for deep eutectic solvents (DES) and the percentage relative error er for the density, surface tension, and refractive index is obtained. The thermodynamic parameters, including the degradation, glass transition and crystallization temperatures, are measured using DSC and TGA. Based on these data, the solid–liquid equilibrium phase diagrams are calculated for the ideal case and predictions are made using the semi-predictive UNIFAC and the predictive COSMO RS models, the latter with two different parametrization levels. For each system, the ideal, experimental, and predicted eutectic points are obtained. The deviation from ideality is observed experimentally and using the thermodynamic models for Thymol:Borneol and Thymol:Camphor. In contrast, a negative deviation is observed only experimentally for Menthol:Borneol and Menthol:Camphor. Moreover, the chemical interactions are analyzed using FTIR and 1H-NMR to study the intermolecular hydrogen bonding in the systems.

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25

Atik, Zadjia, and Malika Chaou. "Quantitative Determination of Binodal and Phase Equilibrium Diagrams for the Ternary System (Fluorobenzene + Water + 2-Propanol) at Three Temperatures." Journal of Chemical & Engineering Data 52, no. 5 (2007): 2056–58. http://dx.doi.org/10.1021/je700212q.

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26

Sitte, W., and W. Weppner. "Electrochemical Investigation of the Ternary Phase Diagram Lithium-Indium-Antimony at 400 °C." Zeitschrift für Naturforschung A 42, no. 1 (1987): 1–6. http://dx.doi.org/10.1515/zna-1987-0102.

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The phase diagram of the ternary system Li-In-Sb is determined at 400 °C by electrochemical techniques. The lithium content of samples with different In : Sb ratios is varied by coulometric titration. The equilibrium lithium activities are obtained from emf measurements. Two new ternary compounds, Li3InSb2 and Li6InSb3 with a wide range of stoichiometry, exist along the quasibinary cut InSb-Li3Sb. Both compounds are in equilibrium with In and Sb. Li3Sb co-exists with all Li-In phases. Semiconducting phases of narrow ranges of stoichiometry show generally fast chemical diffusion rates. The In rich phases have large stoichiometric widths and equilibrate much more slowly.

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27

Pourbaix, Marcel. "Towards the preparation of atlases of potential/temperature equilibrium diagrams in the presence of a gaseous phase." Corrosion Science 35, no. 5-8 (1993): 1167–76. http://dx.doi.org/10.1016/0010-938x(93)90337-g.

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28

LIU, SHA, and JING QIU ZHANG. "CALCULATION AND PLOTTING OF STANDARD FREE ENERGY CHANGES AND EQUILIBRIUM CONSTANTS FOR CVD HARD COATINGS REACTIONS." Surface Review and Letters 12, no. 05n06 (2005): 727–31. http://dx.doi.org/10.1142/s0218625x05007955.

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CVD (chemical vapor deposition) coatings such as TiC , TiN , Al 2 O 3 and so on are widely used as tools' surface preserved materials with corrosion resistance and wear resistance. Standard Gibbs free energy changes for reactions are widely used to approximately analyze the trends of substance reactions and phase transitions in chemical reactions, metallurgy processes, materials synthesis and processing. Hard coatings and thin films can be prepared by CVD process. Accurate calculation and plotting of the standard free energy changes and equilibrium constants for CVD TiC , TiN , Al 2 O 3 coatings reactions are realized using the developed general computer program. Only inputting the basic thermodynamic data tabulated in data books into the computer program, the relationships of the standard free energy changes and equilibrium constants for most reactions with the temperatures can be gained in the same diagrams.

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29

Onderka, B., J. Unland, and R. Schmid-Fetzer. "Thermodynamics and phase stability in the In–N system." Journal of Materials Research 17, no. 12 (2002): 3065–83. http://dx.doi.org/10.1557/jmr.2002.0445.

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Results of a chemical vapor deposition crystal growth method intended to produce large amounts of InN needed for thermodynamic experiments are reported. Polycrystalline films of InN were grown by reaction of InCl3 and NH3 in a hot-wall silica reactor under nearly atmospheric pressure. Samples were analyzed using x-ray diffraction and chemical analysis. The decomposition of InN was studied in both thin film and powder form. InN films were investigated by isothermal heating under nitrogen and subsequent microscopic inspection. The removal of the nucleation barrier of forming the first liquid phase was emphasized. InN powder decomposition experiments involved two different customized thermogravimetric methods: (i) dynamic oscillation thermogravimetric analysis (TGA), and (ii) isothermal stepping TGA for a higher resolution of the decomposition start. The decomposition start was found consistently at (773 ±5) K under 1 bar of nitrogen. Nevertheless, it is suggested that InN may be metastable even below room temperature based on Computer Coupling of Phase Diagrams and Thermo chemistry-type thermodynamic analysis of all available phase equilibrium and thermodynamic data. This included the determination of the absolute entropy of InN, 31.6 ±3 J/mol-formula K, based on a Debye and Einstein analysis of the experimental data on the heat capacity. All calculations of pressure are corrected for the fugacity of nitrogen, which becomes crucial above 1000 bar. The contradictory literature data in the In–N system are discussed based on three different internally consistent thermodynamic analyses of the system that highlight the consequences of different choices made on the decomposition temperature of InN. Widely reproduced data in the literature are shown to produce thermodynamically impossible negative absolute entropy of InN. Complete P-T-x phase diagrams are given, which strongly suggest that solid InN is metastable under ambient conditions. To find out that InN crystals could be reproducibly superheated more than 500 K before they actually decompose comes as a surprise compared to other III-V systems, especially Ga–N.

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30

Wang, Hui, Xiao-Fang Wang, Fa-Xin Dong, Xin-Quan Ran, Li, and Shi Yang Gao. "Investigation on the Equilibrium Phase Diagrams of the Ternary Systems CdCl2−RECl3−H2O (RE = La, Nd, Sm, Eu) at 303 K." Journal of Chemical & Engineering Data 52, no. 3 (2007): 731–36. http://dx.doi.org/10.1021/je0603224.

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31

Cui, Rui-Zhi, Wu Li, Ya-Ping Dong, and Jun Li. "Phase Equilibrium and Phase Diagram for the Quaternary System LiBr–NaBr–KBr–H2O at 298.15 K." Journal of Chemical & Engineering Data 65, no. 6 (2020): 3021–28. http://dx.doi.org/10.1021/acs.jced.0c00048.

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32

Mitovski, Aleksandra, Dragana Zivkovic, Dragan Manasijevic, Dusko Minic, Ljubisa Balanovic, and Nada Strbac. "Thermodynamic analysis and phase equilibria investigation in Pb−Zn−Ag system." Chemical Industry 64, no. 2 (2010): 99–103. http://dx.doi.org/10.2298/hemind100115007m.

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Physico-chemical processes that take place during the refining process in the extractive metallurgy of lead, are connected with ternary Pb?Zn?Ag system, which is necessary to study from the theoretical practical and aspects. Such investigation is important from production point of view, because of the phenomena that occur during desilvering of lead which is one of the important stages during lead refining process. Process of lead desilvering binds to ternary system Pb?Zn?Ag, which was the reason for numerous investigations, both from thermodynamic point of view and in terms of testing and determining the phase diagram, bearing in mind the theoretical, and practical importance of knowledge about the processes which are going in investigated system. The paper presents the results of thermodynamic analysis and investigation of phase equilibria of the Pb?Zn?Ag ternary system using the method of thermodynamic predictions and phase diagrams calculations, respectively, and the experimental results of metalography obtained by optical microscopy. Phase diagram of the vertical section Pb?Zn80Ag20 is presented, obtained by CALPHAD calculation methodology, and using PANDAT thermodynamic software, compared to experimental results obtained by DTA analysis. The results show a pronounced break in solubility, which is characteristic for the whole ternary Pb?Zn?Ag system. Also, it can be noticed that the thermodynamic properties follow the behavior of this system, which is expressed through positive deviation of Raoult?s law, pointing to the lack of lead affinity compared to the other two components in the system. The optical microscopy results of the investigated system show the following: - Sample L1 (weight% Pb = 98): the structure of the observed section shows double eutectic (Pbsol+Zn?Agsol) which lies in the base of the primary crystals of lead (Pbsol) - Samples L2?L5: the structure consists of a dual eutectic (Pbsol+Zn?Agsol) and primary crystals Zn?Agsol Also, it can be noticed certain structural inhomogenity, as a consequence of stratification that occurs in the ternary Pb?Zn?Ag system. However the metalography investigation results confirm the results obtained by defining the phase diagram and mutually agree relatively well in accordance with existing literature data.

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Balarew, Chr. "Calculation of the free Gibbs energy of phase transitions using solubility data. 1. The system Na2SO4-Na2Se04-H2O at 15 °C: Stable and metastable." Pure and Applied Chemistry 74, no. 10 (2002): 1793–800. http://dx.doi.org/10.1351/pac200274101793.

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The solubility isotherms of the systems Na2SO4 ·10H2O–Na2SeO4·10H2O–H2O and Na2SO4·7H2O–Na2SeO4 ·7H2O–H2O have been investigated at 15 °C. It is established that discontinuous series of mixed crystals are formed in both systems. Two methods of calculation of the free Gibbs energy of phase transition at the interruption point of the solubility diagrams are used: (i) on the basis of the composition of the two mixed crystal types, which are in equilibrium with the saturated solution in the eutonic point of the system, and (ii) from the distribution coefficients between each of the mixed crystal phases and their saturated solution, using both experimentally obtained values and calculated distribution coefficients for ideal isomorphic mixing. The data found by the two methods exhibit very good agreement. It is established that the free Gibbs energy of the phase transition in the case of decahydrates is lower than in the case of heptahydrates. This fact is considered as a confirmation of the buffering action of water molecules with respect to the distortion of the crystal structures of the pure salts provoked by the formation of mixed crystals.

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34

Spencer, P. J. "The decisive role of calorimetric measurements in equilibrium phase diagram calculations." Journal of Thermal Analysis 41, no. 6 (1994): 1305–18. http://dx.doi.org/10.1007/bf02549925.

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35

Zhou, Kuo, Xingfan Wang, Junfang Yang, Fenli Jin, and Huan Zhou. "Phase Equilibria and Phase Diagrams of the Li+, Na+//Cl–, CO32––H2O System at 323.15 and 348.15 K." Journal of Chemical & Engineering Data 66, no. 3 (2021): 1319–27. http://dx.doi.org/10.1021/acs.jced.0c00959.

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36

Corchero, R., A. Marcilla, M. M. Olaya, P. Carbonell-Hermida, and A. Soto. "Equilibria and correlation of systems involving 1-hexyl-3-methylpyridinium trifluoromethanesulfonate." RSC Advances 9, no. 72 (2019): 42524–32. http://dx.doi.org/10.1039/c9ra09283h.

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37

Prausnitz, J. M. "Molecular thermodynamics for some applications in biotechnology." Pure and Applied Chemistry 75, no. 7 (2003): 859–73. http://dx.doi.org/10.1351/pac200375070859.

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As biotechnology sweeps the world, it is appropriate to remember that the great virtue of thermodynamics is its broad range of applicability. As a result, there is a growing literature describing how chemical thermodynamics can be used to inform processes for old and new biochemical products for industry and medicine.A particular application of molecular thermodynamics concerns separation of aqueous proteins by selective precipitation. For this purpose, we need phase diagrams; for constructing such diagrams, we need to understand not only the qualitative nature of phase equilibria of aqueous proteins, but also the quantitative intermolecular forces between proteins in solution. Some examples are given to show how aqueous protein-protein forces can be calculated or measured to yield a potential of mean force and how that potential is then used along with a statistical-thermodynamic model to establish liquid -liquid and liquid -crystal equilibria. Such equilibria are useful not only for separation processes, but also for understanding diseases like Alzheimer’s, eye cataracts, and sickle-cell anemia that appear to be caused by protein agglomeration.

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38

Zafarani-Moattar, Mohammed Taghi, and Dariush Nikjoo. "Phase Diagrams for Liquid−Liquid and Liquid−Solid Equilibrium of the Ternary Poly(ethylene glycol) Dimethyl Ether 2000 + Sodium Carbonate + Water System." Journal of Chemical & Engineering Data 54, no. 10 (2009): 2918–22. http://dx.doi.org/10.1021/je9000119.

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39

Zhao, Hong-Kun, Qiu-Hong Zhang, Rong-Rong Li, Hai-Zhe Ji, Xian-Chao Meng, and Qi-Shu Qu. "Solid−Liquid Phase Equilibrium and Phase Diagram for the Ternaryo-Nitrobenzoic Acid +m-Nitrobenzoic Acid + Ethanol System." Journal of Chemical & Engineering Data 53, no. 6 (2008): 1367–70. http://dx.doi.org/10.1021/je800080w.

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40

Zhang, Min, Peng Wu, Yaoyao Li, Wenxuan Li, and Huan Zhou. "Phase Equilibria and Phase Diagrams of the Mn2+, Mg2+, NH4+//SO42–H2O System at 298.15, 323.15, and 373.15 K." Journal of Chemical & Engineering Data 65, no. 6 (2020): 3091–102. http://dx.doi.org/10.1021/acs.jced.0c00117.

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Wojakowska, A. "Phase equilibrium diagram for the tin(II) iodide-copper(I) iodide system." Journal of Thermal Analysis 35, no. 7 (1989): 2433–39. http://dx.doi.org/10.1007/bf01911907.

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Wojakowska, A. "Phase equilibrium diagram for the tin(II) bromide-copper(I) bromide system." Journal of Thermal Analysis 35, no. 1 (1989): 91–97. http://dx.doi.org/10.1007/bf01914267.

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43

Chen, Zhiyuan, Lijun Wang, Fushen Li, and Kuochih Chou. "Thermodynamic Analysis of the Corrosion of Fe-16Cr Alloy Interconnect of Solid Oxide Fuel Cell under Various Atmospheres." High Temperature Materials and Processes 33, no. 5 (2014): 439–45. http://dx.doi.org/10.1515/htmp-2013-0104.

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AbstractIron-based alloys are the most hopeful interconnects of intermediate temperature solid oxide fuel cell (IT-SOFC). Fe-16Cr alloy is one of the common iron-based alloys. Oxidation of the alloy is the key issue in the running process, which could be described in terms of diffusion path. Chemical potential, which is one of the primary factors to the diffusion process, is determined by the thermodynamics. The equilibrium phase in the oxidation of Fe-16Cr alloy was analyzed for better understanding of the mechanism of alloy oxidation in varied atmosphere. A novel form of thermodynamic diagram associated to the oxidation process was given. Phases in the equilibrium are changing with the quantitative increase of reacted fuel gas during the process. The diagram of Fe-16Cr alloy in atmospheres at cathode and anode sides were calculated. The diagram gives the intuitionistic phase transformation process corresponding to the practical oxidation process in the view of thermodynamics.

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44

Brodarac, Zovko, N. Dolic, and F. Unkic. "Influence of copper content on microstructure development of AlSi9Cu3 alloy." Journal of Mining and Metallurgy, Section B: Metallurgy 50, no. 1 (2014): 53–60. http://dx.doi.org/10.2298/jmmb130125009b.

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Microstructure development and possible interaction of present elements have been determined in charge material of EN AlSi9Cu3 quality. Literature review enables prediction of solidification sequence. Modelling of equilibrium phase diagram for examined chemical composition has been performed, which enables determination of equilibrium solidification sequence. Microstructural investigation indicated distribution and morphology of particular phase. Metallographic analysis tools enable exact determination of microstructural constituents: matrix ?Al, eutectic ?Al+?Si, iron base intermetallic phase - Al5FeSi, Alx(Fe,Mn)yCuuSiw and/or Alx(Fe,Mn)yMgzCuuSiw and copper base phases in ternary eutectic morphology Al-Al2Cu-Si and in complex intermetallic ramified morphology Alx(Fe,Mn)yMgzSiuCuw. Microstructure development examination reveals potential differences due to copper content which is prerequisite for high values of final mechanical, physical and technological properties of cast products.

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45

Pandey, Archana, B. Singh, Chandrabhan Verma, and Eno E. Ebenso. "Synthesis, characterization and corrosion inhibition potential of two novel Schiff bases on mild steel in acidic medium." RSC Adv. 7, no. 74 (2017): 47148–63. http://dx.doi.org/10.1039/c7ra08887f.

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This study reports the synthesis of new Schiff bases namely 5-((4-chloro-3-nitrophenylimino)methyl)-2-methoxyphenol and 2-(4-hydroxy-3-methoxybenzylidineamino)-4-nitrophenol using solid–liquid phase equilibrium diagram and their characterization.

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Kuo-Chih, Chou(Guo-zhi Zhou), and Chen Shuang-Lin. "Calculating activities from phase diagram containing equilibrium between solid and liquid solutions." Calphad 14, no. 1 (1990): 41–48. http://dx.doi.org/10.1016/0364-5916(90)90038-2.

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Acree, William E. "Comments on Solid−Liquid Phase Equilibrium and Phase Diagram for the Ternaryo-Nitrobenzoic Acid +m-Nitrobenzoic Acid + Ethanol System." Journal of Chemical & Engineering Data 54, no. 7 (2009): 2146–48. http://dx.doi.org/10.1021/je900213n.

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Yu, Xudong, Ying Zeng, Shanshan Guo, and Yujuan Zhang. "Stable Phase Equilibrium and Phase Diagram of the Quinary System Li+, K+, Rb+, Mg2+//Borate-H2O atT= 348.15 K." Journal of Chemical & Engineering Data 61, no. 3 (2016): 1246–53. http://dx.doi.org/10.1021/acs.jced.5b00888.

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Pelaquim, Fernanda Paludetto, Flávio Cardoso de Matos, Lisandro Pavie Cardoso, Eduardo Augusto Caldas Batista, Antonio José de Almeida Meirelles, and Mariana Conceição da Costa. "Solid-liquid phase equilibrium diagrams of binary mixtures containing fatty acids, fatty alcohol compounds and tripalmitin using differential scanning calorimetry." Fluid Phase Equilibria 497 (October 2019): 19–32. http://dx.doi.org/10.1016/j.fluid.2019.05.020.

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Bonifácio, Pedro L., Cínthia D. Aguiar, Bruno G. Alvarenga, et al. "Phase Diagrams for Liquid–Liquid Equilibrium of Aqueous Two-Phase System Containing Poly(ethylene glycol) (4000, 6000, or 10 000 g mol–1 + Sodium Hydrogen Sulfite + Water) at Different Temperatures." Journal of Chemical & Engineering Data 61, no. 6 (2016): 2062–70. http://dx.doi.org/10.1021/acs.jced.5b01038.

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