GeoPS: an interactive visual computing tool for thermodynamic modeling of phase equilibria

2021 ◽  
Author(s):  
Hua Xiang ◽  
James A. D. Connolly
Keyword(s):  
Phase Equilibria ◽  
Thermodynamic Modeling ◽  
Visual Computing

Metastable phase equilibria in the lead-tin alloy system: Part II. Thermodynamic modeling

1989 ◽  
Vol 20 (5) ◽  
pp. 795-803 ◽  
Author(s):  
H. J. Fecht ◽  
M. X. Zhang ◽  
Y. A. Chang ◽  
J. H. Perepezko
Keyword(s):  
Phase Equilibria ◽  
Thermodynamic Modeling ◽  
Metastable Phase ◽  
Alloy System ◽  
System Part

Phase equilibria of the La–Ni–Cu ternary system at 673 K: Thermodynamic modeling and experimental validation

Calphad ◽  
2012 ◽  
Vol 36 ◽  
pp. 8-15 ◽  
Author(s):  
Xuehui An ◽  
Qian Li ◽  
Jieyu Zhang ◽  
Shuanglin Chen ◽  
Ying Yang
Keyword(s):  
Ternary System ◽  
Phase Equilibria ◽  
Thermodynamic Modeling ◽  
Experimental Validation

scholarly journals Thermodynamic modeling of phase equilibria in the system Na2O – CaO – Al2O3

2019 ◽  
Vol 57 (2) ◽  
pp. 111-115
Author(s):  
Svetlana E. Pratskova ◽  
◽  
Evgenia S. Nechaeva ◽  
Keyword(s):  
Phase Equilibria ◽  
Optical Fibers ◽  
Thermodynamic Modeling ◽  
Binary Systems ◽  
Liquid Solution ◽  
Exothermic Effect ◽  
Regression Equations ◽  
Melt Mixing ◽  
Energy Parameters ◽  
State Diagrams

The thermodynamic properties of melts of the Na2O – CaO – Al2O3 system are of considerable interest for metallurgy, technology of ceramic materials, optical fibers. State diagrams CaO – Al2O3, Na2O – Al2O3 have been studied by many researchers and do not have the generally accepted version, and the system Na2O – CaO has not been specifically studied. In the work, thermodynamic modeling of the phase equilibria of the Na2O – CaO – Al2O3 system was carried out within the framework of the generalized theory of “regular” ionic solutions. Equations for the activities of the system components are derived. The energy parameters of the model are determined taking into account melting characteristics and experimental data. The state diagrams of binary systems are constructed using the calculated values of the Gibbs energies for the formation of sodium and calcium aluminates from the corresponding oxides. Using the regression equations of the temperature dependences of the energy parameters of binary melts of the Na2O – CaO – Al2O3 system, the molar mixing functions of the liquid solution раствора G_m^M, H_m^M, S_m^M and the excess thermodynamic functions G^E, H^E, S^E were calculated at 1500-1800 oC. Lime-alumina melts are stable at all temperatures, experiencing negative deviations from ideality. The Gibbs excess energy G^E is negative and in absolute value varies from 5 to 90 kJ/mol. With an increase in the concentration of Al2O3 in the melt and temperature, a tendency toward disorder is clearly manifested: the entropy of the melt mixing changes its sign from “minus” to “plus”. Na2O – Al2O3 melts are formed with an exothermic effect and ordering, and are also stable. They experience strong negative deviations (for G^E) from ideality. However, the situation changes at 55 mol. % Al2O3 and 1700-1800 oС melts of the system are unstable.

Sign in / Sign up

Export Citation Format

Share Document