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A universal method for calculating isobaric-isothermal sections of ternary system phase diagrams

  • Chemical Thermodynamics and Thermochemistry
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Abstract

A method for calculating and constructing isobaric-isothermal sections of ternary system phase diagrams with the use of convex hulls was developed. The method is based on the projection of the singularities of the lower part of the Gibbs energy convex hull onto the plane of component mole fractions followed by a geometric analysis of the properties of this projection. The method is applicable to a wide range of ternary systems, it can be used to find tie-line coordinates and determine the phase compositions of all the diagram regions. The quality of the suggested algorithm was estimated, and examples of the construction of several phase diagrams are given.

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References

  1. L. E. Baker, A. C. Pierse, and K. D. Luks, Soc. Petrol. Eng. J., No. 5, 731 (1982).

  2. G. Xu, W. D. Haynes, and M. A. Stadtherr, Fluid Phase Equilib. 235, 152 (2005).

    Article  CAS  Google Scholar 

  3. S. P. Tan and M. Radosz, Fluid Phase Equilib. 216, 159 (2004).

    Article  CAS  Google Scholar 

  4. G. F. Voronin, Zh. Fiz. Khim. 77, 1874 (2003) [Russ. J. Phys. Chem. A 77, 1685 (2003)].

    CAS  Google Scholar 

  5. G. F. Voronin, Zh. Fiz. Khim. 79, 2126 (2005) [Russ. J. Phys. Chem. A 79, 1890 (2005)].

    Google Scholar 

  6. G. V. Belov, A. L. Emelina, V. I. Goriacheva, et al., J. Alloys Compd. 452, 133 (2008).

    Article  CAS  Google Scholar 

  7. G. F. Voronin and I. V. Pentin, Zh. Fiz. Khim. 79, 1771 (2005) [Russ. J. Phys. Chem. A 79, 1572 (2005)].

    Google Scholar 

  8. D. D. Lee, J. H. Choy, and L. K. Lee, J. Phase Equilib. 13, 365 (1992).

    Article  CAS  Google Scholar 

  9. J. W. Gibbs, Thermodynamics. Statistical Mechanics (Nauka, Moscow, 1982) [in Russian].

    Google Scholar 

  10. F. Preparata and M. Shamos, Computational Geometry, An Introduction (Mir, Moscow, 1989; Springer, New York, 1985).

    Google Scholar 

  11. C. B. Barber, D. P. Dobkin, and H. T. Huhdanpaa, ACM Trans. Math. Software 22, 469 (1996).

    Article  Google Scholar 

  12. A. V. Skvortsov, Delone Triangulation and Its Use (Tomsk. Univ., Tomsk, 2002) [in Russian].

    Google Scholar 

  13. J. Foley and A. Dam, Fundamentals of Interactive Computer Graphics, in 2 vols. (Addison-wesley, Reading, 1982; Mir, Moscow, 1985).

    Google Scholar 

  14. J. E. Morral and H. Gupta, J. Chim. Phys. Phys.-Chim. Biol. 90, 421 (1993).

    CAS  Google Scholar 

  15. L. Kaufman and H. Bernstein, Computer Calculation of Phase Diagrams (Academic, New York, 1970; Mir, Moscow, 1972).

    Google Scholar 

  16. H. Liang, S.-L. Chen, and Y. A. Chang, Metall. Mater. Trans. A 28, 1725 (1997).

    Article  Google Scholar 

  17. P. Liang, T. Tarfa, J. A. Robinson, et al., Thermochim. Acta 314, 87 (1998).

    Article  CAS  Google Scholar 

  18. M. Hillert, J. Alloys Compd. 320, 161 (2001).

    Article  CAS  Google Scholar 

  19. A. T. Dinsdale, CALPHAD: Comput. Coupling Phase Diagrams Thermochem. 15, 317 (1991).

    CAS  Google Scholar 

  20. T. Jriri, J. Rogez, J. C. Mathieu, and I. Ansara, J. Phase Equilib. 20, 515 (1999).

    Article  CAS  Google Scholar 

Download references

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Authors and Affiliations

  1. Faculty of Chemistry, Moscow State University, Moscow, Russia

    A. L. Voskov & G. F. Voronin

Authors
  1. A. L. Voskov
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  2. G. F. Voronin
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Correspondence to G. F. Voronin.

Additional information

Original Russian Text © A.L. Voskov, G.F. Voronin, 2010, published in Zhurnal Fizicheskoi Khimii, 2010, Vol. 84, No. 4, pp. 605–613.

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Voskov, A.L., Voronin, G.F. A universal method for calculating isobaric-isothermal sections of ternary system phase diagrams. Russ. J. Phys. Chem. 84, 525–533 (2010). https://doi.org/10.1134/S0036024410040011

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  • DOI: https://doi.org/10.1134/S0036024410040011

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