Quasi-chemical phase diagrams for orienting mixtures

Journal of Physical Chemistry B

Volumn 101, Issue 43, 1997, Pages 8676-8682

  Hueda, Yuri ^a   Costas, María Eugenia ^a   Scott, Robert L ^b  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; MATHEMATICAL MODELS; MIXTURES; MOLECULAR STRUCTURE;

QUASI CHEMICAL APPROXIMATION; QUASI LATTICE MIXTURES;

PHASE DIAGRAMS;

EID: 0031248738     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971131y     Document Type: Article

References (17)

1. Munster, A. Trans. Faraday Soc. 1950, 46, 165.
2. Barker, J. A. J. Chem. Phys. 1952, 20, 1526.
3. Tompa, H. J. Chem. Phys. 1953, 21, 250.
4. Guggenheim, E. A. Proc. R. Soc. 1935, A148, 304.
5. Rowlinson, J. S.; Sutton, J. R. Proc. R. Soc. 1955, A229, 271.
6. Balescu, R. Bull. Acad. Belg. Cl. Sci. 1955, 41, 1242.
7. Barker, J. A.; Fock, W. Discuss. Faraday Soc. 1953, 15, 188.
8. Wheeler, J. C. Annu. Rev. Phys. Chem. 1977, 28, 411.
9. Anderson, G. R.; Wheeler, J. C. J. Chem. Phys. 1978, 69, 2082.
10. Walker, J. S.; Vause, C. A. J. Chem. Phys. 1983, 79, 2660.
11. Gubbins, K. Mol. Simul. 1989, 2, 223.
12. Corrales, L. R.; Wheeler, J. C. J. Chem. Phys. 1989, 91, 7097.
13. Jackson, G. Mol. Phys. 1991, 72, 1365.
14. Talanquer, V. J. Chem. Phys. 1992, 96, 5408.
15. The formulation of the quasi-chemical equations in terms of the deviation parameter ξ is derived from an unpublished paper by one of us (R.L.S.) whose purpose was to show that the leading terms in the free energy resulting from series expansions of ln(1 + ξ) are quadratic, not linear, in the ξ's. There is no special virtue to this formulation in the context of this paper.
16. Francis, A. W. Liquid-liquid Equilibrium; John Wiley: New York, 1963.
17. ab) by a factor 2 × 2.303.