Multivariate analysis for chemistry-property relationships in molten salts

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. © 2009 Verlag der Zeitschrift für Naturforschung, Tübingen.