EXPLORATION OF NMR DATA OF GLASSES BY MEANS OF FORMAL CONCEPT ANALYSIS

Authors
Citation
Hg. Bartel et M. Nofz, EXPLORATION OF NMR DATA OF GLASSES BY MEANS OF FORMAL CONCEPT ANALYSIS, Chemometrics and intelligent laboratory systems, 36(1), 1997, pp. 53-63
Citations number
25
Categorie Soggetti
Computer Application, Chemistry & Engineering","Instument & Instrumentation","Chemistry Analytical","Computer Science Artificial Intelligence","Robotics & Automatic Control
ISSN journal
01697439
Volume
36
Issue
1
Year of publication
1997
Pages
53 - 63
Database
ISI
SICI code
0169-7439(1997)36:1<53:EONDOG>2.0.ZU;2-B
Abstract
After explaining the mathematical background of formal concept analysi s this method was applied to Si-29-NMR data (chemical shift and full w idth at half height of the corresponding signals) of 31 calcium-alumin osilicate glasses. Conceptual scaling of the data was necessary to tra nsform the experimental data into a single-valued context. Interpretat ion of the results was performed on the basis of a structural model(Q( n)(m) units model) for the glasses developed intuitively in a previous work. The results of the formal concept analysis applied to the NMR d ata and to the composition of the glasses in terms of distinct structu ral units allowed a confirmation of the Q(n)(m) model.