GEOMETRICAL ANALYSIS OF THE VOIDS IN STRUCTURAL MODELS OF MOLTEN-SALTS

Authors
MOURON L ROULLET G LEGENDRE JJ PICARD G
Citation
L. Mouron et al., GEOMETRICAL ANALYSIS OF THE VOIDS IN STRUCTURAL MODELS OF MOLTEN-SALTS, Computers & chemistry, 20(2), 1996, pp. 227-233
Citations number
22
Categorie Soggetti
Computer Application, Chemistry & Engineering",Chemistry,"Computer Science Interdisciplinary Applications
Journal title
Computers & chemistry → ACNP
ISSN journal
00978485
Volume
20
Issue
2
Year of publication
1996
Pages
227 - 233
Database
ISI
SICI code
0097-8485(1996)20:2<227:GAOTVI>2.0.ZU;2-S
Abstract
A new method for analyzing the shapes of the voids in structural model s of liquids is described. Each void is approximated by a cluster of e lementary cubes the inertial ellipsoid of which provides information a bout the dimensionality of the void (sphere, disk or rod). A plot of t his data vs the volumes of the voids provides a useful insight on the types of voids in such models which may be connected with various melt properties or may be used to check the reliability of the modeling me thods. The analysis of some models of molten salts is given as an exam ple.