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Representation of high‐dimensional solid‐liquid phase diagrams of ionic systems
Author(s) -
Samant Ketan D.,
Ng Ka M.
Publication year - 2001
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690470410
Subject(s) - phase diagram , digraph , representation (politics) , matrix representation , phase rule , adjacency matrix , invariant (physics) , mathematics , phase (matter) , algorithm , statistical physics , combinatorics , chemistry , physics , graph , group (periodic table) , organic chemistry , politics , political science , law , mathematical physics
A generic framework is presented for representation of the solid‐liquid phase behavior of multicomponent ionic systems with and without compound formation. Isothermal isobaric phase behavior is represented in form of digraphs. The invariant points in the composition space are identified as vertices of the digraph. These vertices are connected by edges identified from the adjacency matrix, which is constructed by using a set of generic rules based on Gibbs phase rule. These edges form the boundaries of high‐dimensional saturation varieties, which are identified from the saturation variety matrix. For graphical representation, the number of independent coordinates is calculated and a suitable set of coordinates is developed. Projections are used to view high‐dimensional phase diagrams in their entirety and to simplify the analysis of the phase behavior. Potential applications of this framework include facilitation of experimental development and computer‐aided design of crystallization‐based separation processes.