The calculation of ternary miscibility gaps using the linear contributions method: Problems, benchmark systems and an application to (K, Li, Na)Br

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 30, Issue 2, 2006, Pages 185-190

  Jacobs, Michel H G ^a   Oonk, Harry A J ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

Author keywords

Critical points; Method of linear contributions; Miscibility gap

Indexed keywords

ALGORITHMS; COMPUTATION THEORY; COMPUTER SIMULATION; COMPUTER SOFTWARE; CRYSTAL STRUCTURE; GIBBS FREE ENERGY; LITHIUM COMPOUNDS; PHASE SEPARATION; POTASSIUM COMPOUNDS; SODIUM COMPOUNDS; SOLUBILITY;

CRITICAL POINTS; METHOD OF LINEAR CONTRIBUTIONS; MISCIBILITY GAP; THREE-PHASE FIELDS;

TERNARY SYSTEMS;

EID: 33645844813     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2005.09.005     Document Type: Article

References (19)

1. Jacobs M.H.G., and Oonk H.A.J. Phys. Chem. Miner. 28 (2001) 572-585
2. Jacobs M.H.G., Oonk H.A.J., and de Jong B.H.W.S. Geochim. Cosmochim. Acta 65 (2001) 4231-4242
3. Jacobs M.H.G., and de Jong B.H.W.S. Geochim. Cosmochim. Acta 69 (2005) 4361-4375
4. M.H.G. Jacobs, A.P. van den Berg, B.H.W.S. de Jong, CALPHAD (2005) (in press)
5. Murnaghan F.D. Proc. Natl. Acad. Sci. USA 30 (1944) 244
6. Birch F. J. Geophys. Res 57 (1952) 227-286
7. Morse P.M. Phys. Rev. 34 (1929) 57-64
8. Vinet P., Ferrante J., Smith J.R., and Rose J.H. J. Phys. C. 19 (1986) L467-L473
9. Anderson O.L. Equations of State of Solids for Geophysics and Ceramic Science (1995), Oxford University Press, New York
10. Kieffer S.W. Rev. Geophys. Space Phys. 17 (1979) 35-59
11. Jacobs M.H.G., Jellema R., and Oonk H.A.J. CALPHAD 20 (1996) 79-88
12. Jacobs M.H.G., and Spencer P.J. CALPHAD 20 (1996) 307-320
13. Moerkens R., Bouwstra J.A., and Oonk H.A.J. CALPHAD 7 (1983) 219-269
14. M.H.G. Jacobs, The calculation of ternary phase diagrams from binary phase diagrams, Thesis, Utrecht University, 1990
15. Oonk H.A.J. Phase Theory, The Thermodynamics of Heterogeneous Equilibria (1981), Elsevier Scientific Publishing, Amsterdam, Oxford, New York
16. Lupis C.H.P. Chemical Thermodynamics of Materials (1983), North Holland
17. I. Barin, Thermochemical Data of Pure Substances, Part II, VCH Verlags-gesellschaft mbH, D6940 Weinheim (FRG), 1989
18. Chase Jr. M.W., Davies C.A., Downey Jr. J.R., Frurip D.J., McDonald R.A., and Syverud A.N. J. Phys. Chem. Ref. Data Suppl. 1 (1985)
19. Richet P., and Fiquet G. J. Geophys. Res. 96 (1991) 445-456