A convex polyhedron aprroach of constructing chemical potential diagrams for multicomponent systems

Citation
H. Yokokawa et al., A convex polyhedron aprroach of constructing chemical potential diagrams for multicomponent systems, CALPHAD, 24(4), 2000, pp. 435-448
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics","Chemical Engineering
Journal title
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
ISSN journal
03645916 → ACNP
Volume
24
Issue
4
Year of publication
2000
Pages
435 - 448
Database
ISI
SICI code
0364-5916(200012)24:4<435:ACPAOC>2.0.ZU;2-P
Abstract
A new algorithm for constructing chemical potential diagrams has been devel oped with the aid of considerations based on computation geometry. Almost a ll procedures are based on the derivation of the intersection between the p olyhedron in n-dimension space and the superplane with (n-1) dimensions. Th is consists of the geometrical consideration based on the graph theoretical features in terms of vertex, edge, and facet and of the numerical consider ations for the beneath-beyond criterion and for obtaining vertices or edges . This generalization makes it easy to treat mixture phases and also to tre at phase relations as a function of temperature or pressure.