Thermodynamic properties of the coexisting phases and thermochemical properties of the NaCl component in boiling NaCl solutions

1976 ◽  
Keyword(s):  
Thermodynamic Properties ◽  
Thermochemical Properties ◽  
Coexisting Phases

scholarly journals Comparative analyses of thermodynamic properties assessments, performed by geometric models: Application to the Ni-Bi-Zn system

2013 ◽  
Vol 49 (3) ◽  
pp. 347-352 ◽  
Author(s):  
V. Gandova ◽  
G. Vassilev
Keyword(s):  
Experimental Data ◽  
Liquid Phase ◽  
Thermodynamic Properties ◽  
Wide Temperature Range ◽  
Excess Energy ◽  
Energy Calculation ◽  
Thermochemical Properties ◽  
Multicomponent Systems ◽  
Ternary Interaction ◽  
Geometric Models

The thermochemical properties of metals and alloys are essential for the chemists to invent and improve metallurgical and materials? design processes. However, the properties of multicomponent systems are still scarcely known due to experimental difficulties and the large number of related systems. Thus, the modelling of some thermodynamic properties would be advantageous when experimental data are missing. Considering mentioned facts, geometric models to estimate some thermodynamic properties for the liquid phase of the Ni-Bi-Zn systems. The calculations have been performed in a wide temperature range (1000-2000 K). Ternary interaction parameters for the liquid phase allowing molar Gibbs excess energy calculation have been determined.

scholarly journals Thermodynamic Assessment Of The Bi-In-Zn System

2015 ◽  
Vol 60 (2) ◽  
pp. 567-575
Author(s):  
B. Onderka ◽  
A. Dębski ◽  
W. Gąsior
Keyword(s):  
Experimental Data ◽  
Phase Equilibrium ◽  
Thermodynamic Properties ◽  
Phase Equilibria ◽  
Thermodynamic Assessment ◽  
Thermodynamic Description ◽  
Thermal Equilibration ◽  
Heating And Cooling ◽  
Coexisting Phases ◽  
Equilibrium Calculations

Abstract A thermodynamic description of the entire ternary Bi-In-Zn system was obtained by the CALPHAD modelling of the Gibbs energy of the liquid phase. The experimental data on the phase equilibria and the thermodynamic properties published and complemented by the authors’ own experiments were taken into account. In order to verify the phase equilibria in the Bi-In-Zn system, 15 different samples were studied in the temperature range of 300-900 K by the DTA technique during heating and cooling cycles. Coexisting phases and their composition were analyzed by the SEM and EDX techniques for 9 distinct samples after their thermal equilibration at 373 K and 473 K. Assessment and selected phase equilibrium calculations were performed with ThermoCalc and Pandat softwares, and compared with experimental data. The obtained results reproduce well the experimental data on both the phase equilibria and the thermodynamic properties in the optimized system.

scholarly journals Calculation of activities in some gallium-based systems with a miscibility gap

2003 ◽  
Vol 68 (8-9) ◽  
pp. 665-675 ◽  
Author(s):  
Dragan Manasijevic ◽  
Dragana Zivkovic ◽  
Iwao Katayama ◽  
Zivan Zivkovic
Keyword(s):  
Thermodynamic Properties ◽  
Phase Diagrams ◽  
The Other ◽  
Miscibility Gap ◽  
Liquid Alloys ◽  
Duhem Equation ◽  
Coexisting Phases ◽  
Temperature Ranges

The calculations of thermodynamic properties in some gallium-based systems with a miscibility gap ? Ga?Tl, Ga?Hg and Ga?Pb are presented in this paper. The determination of the gallium activities in the mentioned liquid alloys was based on their known phase diagrams using the Zhang-Chou method for calculating activities from phase diagrams involving two liquid or solid coexisting phases. The activities of gallium in Ga?Tl, Ga?Hg and Ga?Pb system were calculated in the 973?1273 K, 573?873 K and 1000?1100 K temperature ranges, respectively. The activities of the other component in all the investigated systems were obtained by the Gibbs-Duhem equation. The results of the calculations are compared with literature data.

Thermodynamic properties of alloys In—Tb system

2021 ◽  
Vol 2021 (2) ◽  
pp. 79-89
Author(s):  
A.S. Dudnik ◽  
◽  
V.G Kudin ◽  
L. O. Romanova ◽  
V. S. Sudavtsova ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Enthalpy Of Mixing ◽  
Thermochemical Properties ◽  
Trend Line ◽  
P Elements ◽  
Serial Number ◽  
Concentration Interval ◽  
Heavy Lanthanides ◽  
Modern Work

The method of isoportic calorimetry investigated the thermochemical properties of the melt In—Tb system in the range of compositions 0 < xIn < 0,4 at 1625 ± 1 K. The obtained data were extrapolated on a non-investigated concentration interval, given that when xTb = 1 integral and partial to Tb enthalpia mixing is zero. It was established that the first partial for Terbium and the minimum enthalpy of mixing is –145 ± 7 and –40,1 ± 0,2 kJ/mol respectively. Comparison of ΔHmin, the melt of five previously investigated In—Ln systems from the serial number Ln (zLn), together with the data obtained in this papper, showed that they are described by one trend line. For ΔHmin In—Eu (Yb) melts (Yb) are very slight deviations from the trend line. But for dimensional factor, these deviations from the trend line are more significant. Enthalpia of the formation of some In—Ln intermetallides are known, with most of them relate to the LnIn3 compound. But there is no full reconciliation between these data. The results of the most modern work exhibit less dependence on the serial number of lanthanides and are more exothermic for heavy lanthanides, compared with other data. Comparing thermochemical properties of double Sn (Sb) —REM melt systems. It has been established that the energy of the interaction between the data p-elements and REM increases in such a sequence: In-REM → Sn—REM → Sb—REM. This is due to the fact that the stibium is the best acceptor of electrons. Keywords: thermochemical properties, melts, compounds, In, Tb.

Study of Chemical Similarity Between Molecules Through a Comparative Method of Standard Thermodynamic Properties

2018 ◽  
Author(s):  
Tetsafe De Angeli
Keyword(s):  
Thermodynamic Properties ◽  
Comparative Method ◽  
Quantitative Structure Activity Relationship ◽  
Computational Science ◽  
Thermochemical Properties ◽  
Quantitative Structure ◽  
Chemical Similarity ◽  
Chemical Fingerprints ◽  
Structure Activity ◽  
Standard Thermodynamic Properties

Chemical similarity between molecules, is a key concept in drug design and drug discovery. The advance in computational science, had given rise to many new possibilities for understand difference and similarity between molecules. In particular, is very important the QSAR (quantitative structure–activity relationship ) paradigm (1). Typical approaches to calculate chemical similarities use chemical fingerprints or QSAR, but this doesn´t consider the thermochemical properties of the molecules. In others words chemical similarity is described as an inverse of a measure of distance in descriptor space. In this work is presented a new method, for calculate chemical similarities

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