A universal method for calculating isobaric-isothermal sections of ternary system phase diagrams
- 100 Downloads
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.
KeywordsPhase Diagram Gibbs Energy Convex Hull Ternary System Single Phase Region
Unable to display preview. Download preview PDF.
- 1.L. E. Baker, A. C. Pierse, and K. D. Luks, Soc. Petrol. Eng. J., No. 5, 731 (1982).Google Scholar
- 4.G. F. Voronin, Zh. Fiz. Khim. 77, 1874 (2003) [Russ. J. Phys. Chem. A 77, 1685 (2003)].Google Scholar
- 5.G. F. Voronin, Zh. Fiz. Khim. 79, 2126 (2005) [Russ. J. Phys. Chem. A 79, 1890 (2005)].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
- 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
- 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).Google Scholar
- 15.L. Kaufman and H. Bernstein, Computer Calculation of Phase Diagrams (Academic, New York, 1970; Mir, Moscow, 1972).Google Scholar
- 19.A. T. Dinsdale, CALPHAD: Comput. Coupling Phase Diagrams Thermochem. 15, 317 (1991).Google Scholar