화학공학소재연구정보센터
Journal of Materials Science, Vol.41, No.5, 1563-1569, 2006
Cluster-precursors for structure formation of alkali zirconosilicates in the systems AOH-ZrO2-SiO2-H2O(A = Li-Cs): algorithm for their identification and self-assembling modeling
The modeling of the crystal structure formation in hydrothermal systems AOH-ZrO2-SiO2-H2O (A - Li-Cs) was carried out on the base of combinatorial-topological analysis of the framework A,M-silicates structures. The mechanism of successive stages of the matrix assembly of the crystal structures from suprapolyhedral structural units (SSU invariants) was suggested. Modeling is based on the theory of space symmetry, graph theory and theory of hierarchic self-organization of the systems. (c) 2006 Springer Science + Business Media, Inc.