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Multivariate analysis for chemistry-property relationships in molten salts

  • Changwon Suh
  • , Slobodan Gadzuric
  • , Marcelle Gaune-Escard
  • , Krishna Rajan
  • Iowa State University
  • Aix-Marseille Université
  • University of Novi Sad

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

We systematically analyze the molten salt database of Janz to gain a better understanding of the relationship between molten salts and their properties. Due to the multivariate nature of the database, the intercorrelations amongst the molten salts and their properties are often hidden and defining them is challenging. Using principal component analysis (PCA), a data dimensionality reduction technique, we have effectively identified chemistry-property relationships. From the various patterns in the PCA maps, it has been demonstrated that information extracted with PCA not only contains chemistry property relationships of molten salts, but also allows us to understand bonding characteristics and mechanisms of transport and melting, which are difficult to otherwise detect.

Original languageEnglish
Pages (from-to)467-476
Number of pages10
JournalZeitschrift fur Naturforschung - Section A Journal of Physical Sciences
Volume64
Issue number7-8
DOIs
StatePublished - 2009

Keywords

  • Data mining
  • Molten salts
  • Multivariate analysis
  • Principal component analysis (PCA)

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