Thermodynamic assessment of the Sb–S and In–S binary systems

Abstract The Sb–S and In–S binary systems were assessed thermodynamically using the CALculation of PHase Diagrams (CAL-PHAD) approach based on the experiment data in the literature. Both phase diagrams revealed a congruent melting compound and liquid immiscibility. Therefore, associate species, Sb2S3 and In2S3, were introduced into the associate model to describe the liquid phase during optimization. The binary intermediate compounds, Sb2S3, InS(α, β), and In6S7, were treated as stoichiometric phases. Considering the wide composition range, In2S3(α, β, γ), were modeled using the sublattice model. A set of self-consistent thermodynamic parameters representing most of the reliable thermodynamic properties and phase diagram information were derived.

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Thermodynamic assessment of binary systems Tris(hydroxymethyl)aminomethane-Pentaglycerine (TRIS-PG) and 2-amino-2-methyl-1,3-propanediol-Pentaglycerine (AMPL-PG) phase diagrams

Calphad ◽

10.1016/j.calphad.2016.01.006 ◽

2016 ◽

Vol 52 ◽

pp. 264-273 ◽

Cited By ~ 8

Author(s):

Renhai Shi ◽

Ivan Gantan ◽

Dhanesh Chandra ◽

Wen-Ming Chien ◽

Anjali Talekar ◽

...

Keyword(s):

Phase Diagrams ◽

Binary Systems ◽

Thermodynamic Assessment

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Calculation of activities in Ga-Cd and Cu-Pb binary systems

Journal of Mining and Metallurgy Section B Metallurgy ◽

10.2298/jmmb0204273m ◽

2002 ◽

Vol 38 (3-4) ◽

pp. 273-284 ◽

Cited By ~ 1

Author(s):

Dragan Manasijevic ◽

Dragana Zivkovic ◽

Zivan Zivkovic

Keyword(s):

Melting Point ◽

Phase Diagrams ◽

Binary Systems ◽

Composition Range ◽

Entire Composition Range ◽

Melting Point Depression ◽

Calculation Methods ◽

Duhem Equation ◽

Coexisting Phases ◽

Mutual Comparison

Calculations of activities in Ga-Cd and Cu-Pb binary systems were done based on their known phase diagrams, using different calculation methods. First, activities of cadmium at 700 K and copper at 1263 K in Ca - Cd and Cu - Pb systems, respectively, were calculated by melting point depression method and Zhang-Chou method for binary systems with phase diagrams involving two liquid or solid coexisting phases. In order to obtain activity values in the entire composition range, these methods were applied in the definite parts of composition range in both investigating systems. The same procedure was done, using modified Rao- Belton method by Chou, who used Richardson assumption. Activities of the second component in both investigating systems were calculated by use of Gibbs-Duhem equation. All calculated results were compared with literature data and mutual comparison between applied methods was done.

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Thermodynamic assessment of B–Zr and Si–Zr binary systems

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2008.01.061 ◽

2009 ◽

Vol 468 (1-2) ◽

pp. 209-216 ◽

Cited By ~ 48

Author(s):

H.M. Chen ◽

F. Zheng ◽

H.S. Liu ◽

L.B. Liu ◽

Z.P. Jin

Keyword(s):

Binary Systems ◽

Thermodynamic Assessment

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Calculation of phase diagrams and thermodynamic properties of 14 additive and reciprocal ternary systems containing Li2CO3, Na2CO3, K2CO3, Li2SO4, Na2SO4, K2SO4, LiOH, NaOH, and KOH

Canadian Journal of Chemistry ◽

10.1139/v84-078 ◽

1984 ◽

Vol 62 (3) ◽

pp. 457-474 ◽

Cited By ~ 19

Author(s):

A. D. Pelton ◽

C. W. Bale ◽

P. L. Lin

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Molten Salt ◽

Phase Diagrams ◽

Binary Systems ◽

Ternary Phase ◽

Ternary Phase Diagram ◽

Ternary Systems ◽

Maximum Error ◽

Critical Assessment

Phase diagrams and thermodynamic properties of five additive molten salt ternary systems and nine reciprocal molten salt ternary systems containing the ions Li+, Na+, [Formula: see text], OH− are calculated from the thermodynamic properties of their binary subsystems which were obtained previously by a critical assessment of the thermodynamic data and the phase diagrams in these binary systems. Thermodynamic properties of ternary liquid phases are estimated from the binary properties by means of the Conformal Ionic Solution Theory. The ternary phase diagrams are then calculated from these thermodynamic properties by means of computer programs designed for the purpose. It is found that a ternary phase diagram can generally be calculated in this way with a maximum error about twice that of the maximum error in the binary phase diagrams upon which the calculations are based. If, in addition, some reliable ternary phase diagram measurements are available, these can be used to obtain small ternary correction terms. In this way, ternary phase diagram measurements can be smoothed and the isotherms drawn in a thermodynamically correct way. The thermodynamic approach permits experimental data to be critically assessed in the light of thermodynamic principles and accepted solution models. A critical assessment of error limits on all the calculated ternary diagrams is made, and suggestions as to which composition regions merit further experimental study are given.

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11B NMR studies of the short range order in wide composition range xNa2S + (1 − x)B2S3 glasses

Journal of Non-Crystalline Solids ◽

10.1016/0022-3093(94)90123-6 ◽

1994 ◽

Vol 168 (1-2) ◽

pp. 86-96 ◽

Cited By ~ 21

Author(s):

J.A. Sills ◽

S.W. Martin ◽

D.R. Torgeson

Keyword(s):

Short Range ◽

Short Range Order ◽

Composition Range ◽

Range Order ◽

Nmr Studies ◽

Wide Composition Range ◽

11B Nmr

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The Si–Sr and Si–Ba phase diagrams over the Si-rich composition range

Calphad ◽

10.1016/j.calphad.2010.02.005 ◽

2010 ◽

Vol 34 (2) ◽

pp. 196-199 ◽

Cited By ~ 2

Author(s):

B. Rygalin ◽

V. Prokofieva ◽

L. Pavlova ◽

Y.E. Sokolov

Keyword(s):

Phase Diagrams ◽

Composition Range

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Test of Anderson-Stuart model in sodium silicate glasses and the general Arrhenian conductivity rule in wide composition range

Cerâmica ◽

10.1590/s0366-69132006000100004 ◽

2006 ◽

Vol 52 (321) ◽

pp. 22-30 ◽

Cited By ~ 12

Author(s):

M. L. F. Nascimento ◽

E. Nascimento ◽

W. M. Pontuschka ◽

M. Matsuoka ◽

S. Watanabe

Keyword(s):

Activation Energy ◽

Ionic Conductivity ◽

Sodium Silicate ◽

Composition Range ◽

Absolute Temperature ◽

Alkali Concentration ◽

Relative Dielectric Permittivity ◽

Silicate System ◽

Wide Composition Range ◽

Sigma E

We collected and analyzed literature data on ionic conductivity sigma and activation energy E A in the binary sodium silicate system in a wide composition range. The Anderson and Stuart model has been considered to describe the decreasing tendency of activation energy E A with alkali concentration in this system. In this analysis were considered experimental parameters, such as shear modulus G and relative dielectric permittivity epsilon. A general conductivity rule is found in 194 of 205 glasses, when one plots log sigma vs. E A/kB T, where kB is the Boltzmann constant and T is the absolute temperature. This fact means that the arrhenian relation has universal uniqueness of form sigma = sigma (E A,T) in wide Na2O composition range. The results also show that there is strong correlation by more than 19 orders of magnitude on conductivity with E A/kBT. An explanation for this behavior links ionic conductivity and microscopic structure. The problem of phase separation in this system is also considered.

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A STUDY ON THE PHASE DIAGRAMS OF PSEUDO-BINARY SYSTEMS LaNi5-NdNi5(CeNi5) AND THEIR HYDROGEN ABSORPTION CHARACTERISTICS

Acta Physica Sinica ◽

10.7498/aps.33.770 ◽

1984 ◽

Vol 33 (6) ◽

pp. 770

Author(s):

CHE GUANG-CAN ◽

YU YU-DE ◽

LIANG JING-KUI

Keyword(s):

Phase Diagrams ◽

Hydrogen Absorption ◽

Binary Systems ◽

Absorption Characteristics

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Thermodynamic Calculation of Phase Equilibria in the Mn-RE (RE=Nd, Gd, Dy) Binary Systems

Materials Science Forum ◽

10.4028/www.scientific.net/msf.898.1036 ◽

2017 ◽

Vol 898 ◽

pp. 1036-1041

Author(s):

M.H. Rong ◽

S.D. Lin ◽

Jiang Wang ◽

H.Y. Zhou ◽

G.H. Rao

Keyword(s):

Magnetic Properties ◽

Thermodynamic Properties ◽

Phase Equilibria ◽

Thermodynamic Calculation ◽

Binary Systems ◽

Ternary Systems ◽

Experimental Information ◽

Calphad Method ◽

Self Consistent ◽

Ternary Intermetallic Compounds

Ternary intermetallic compounds with rare earth elements and transition metals in the RE-Mn-X (X=Si, Ge, Sn etc.) ternary systems show interesting magnetic properties. As key sub-binary systems of the RE-Mn-X (X=Si, Ge, Sn etc.) ternary systems, the information of phase equilibria and thermodynamic properties of the Mn-RE (RE=Nd, Gd, Dy) binary systems are indispensable to explore the RE-Mn-X (X=Si, Ge, Sn etc.) alloys with better magnetic properties. In this work, the experimental data of phase equilibria and thermodynamic properties of the Mn-RE (RE=Nd, Gd, Dy) binary systems in the published literature were reviewed. Based on the available experimental information, thermodynamic calculation of phase equilibria of the Mn-RE (RE=Nd, Gd, Dy) binary systems was performed using the CALPHAD method. As a result, further experimental investigation and thermodynamic optimization would be still necessary in order to develop the self-consistent and compatible thermodynamic database of the RE-Mn-based alloy systems.

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