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Modeling short-range ordering in solutions

  • Arthur D. Pelton und Youn-Bae Kang
Veröffentlicht/Copyright: 23. Mai 2013
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International Journal of Materials Research
Aus der Zeitschrift International Journal of Materials Research Band 98 Heft 10

Abstract

Various aspects of the modeling of short-range order in binary and ternary solutions using the Bragg – Williams (random mixing), associate, and quasichemical models are examined. The models are compared with respect to their ability to predict properties of ternary solutions from optimized binary model parameters in the presence of short-range order. It is shown how introducing short-range order through the quasichemical model can explain the observed flattened shape of most miscibility gaps. The combination of the quasichemical model for nearest-neighbor short-range order with the Bragg – Williams model for the remaining lattice interactions is described.

Keywords: Short-range order; Quasichemical model; Associate model; Miscibility gaps; Thermodynamics
* Correspondence address, Prof. Arthur Pelton, C.P. 6079, succ. Centre-ville, Montréal (Québec) Canada, H3C 3A7, Tel.: +514 340 4711 ext. 4531, Fax: +514 340 5840, E-mail: .

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Received: 2007-4-13
Accepted: 2007-7-5
Published Online: 2013-05-23
Published in Print: 2007-10-01

© 2007, Carl Hanser Verlag, München

Artikel in diesem Heft

  1. Contents
  2. Contents
  3. Basic
  4. Modeling short-range ordering in solutions
  5. 3D-representation of phase and property diagrams in multi-component systems
  6. Constrained Gibbs energy minimisation
  7. The thermochemistry library ChemApp and its applications
  8. SimuSage – the component library for rapid process modeling and its applications
  9. An assessment of the ordered phases in Mn–Ni using two- and four-sublattice models
  10. Thermodynamic assessment of the Al–Li system
  11. Detailed phase diagram mapping: T–X data for solidi and liquidi of the alloy system manganese–carbon
  12. Applied
  13. Thermodynamic aspects of liquid phase sintering of SiC using Al2O3 and Y2O3
  14. Thermodynamic modeling of the B2O3–SiO2 and B2O3–Al2O3 systems
  15. Applications of thermodynamic modeling in copper converting operations
  16. Thermodynamic treatment of uranium dioxide based nuclear fuel
  17. Thermodynamic modeling of the stability and melting properties of sodium borates relevant to black liquor combustion and gasification
  18. Thixoforming of non-dendritic AA6061 feedstock produced by low superheat casting with and without a cooling slope
  19. Comparative thermodynamic study and phase equilibria of the Bi–Ga–Sn ternary system
  20. Grain growth in materials with mobile second-phase particles
  21. Notifications
  22. DGM News
https://doi.org/10.3139/146.101554
Schlagwörter für diesen Artikel
Short-range order; Quasichemical model; Associate model; Miscibility gaps; Thermodynamics

Artikel in diesem Heft

  1. Contents
  2. Contents
  3. Basic
  4. Modeling short-range ordering in solutions
  5. 3D-representation of phase and property diagrams in multi-component systems
  6. Constrained Gibbs energy minimisation
  7. The thermochemistry library ChemApp and its applications
  8. SimuSage – the component library for rapid process modeling and its applications
  9. An assessment of the ordered phases in Mn–Ni using two- and four-sublattice models
  10. Thermodynamic assessment of the Al–Li system
  11. Detailed phase diagram mapping: T–X data for solidi and liquidi of the alloy system manganese–carbon
  12. Applied
  13. Thermodynamic aspects of liquid phase sintering of SiC using Al2O3 and Y2O3
  14. Thermodynamic modeling of the B2O3–SiO2 and B2O3–Al2O3 systems
  15. Applications of thermodynamic modeling in copper converting operations
  16. Thermodynamic treatment of uranium dioxide based nuclear fuel
  17. Thermodynamic modeling of the stability and melting properties of sodium borates relevant to black liquor combustion and gasification
  18. Thixoforming of non-dendritic AA6061 feedstock produced by low superheat casting with and without a cooling slope
  19. Comparative thermodynamic study and phase equilibria of the Bi–Ga–Sn ternary system
  20. Grain growth in materials with mobile second-phase particles
  21. Notifications
  22. DGM News
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