Estimation of the refractive indices of imidazolium-based ionic liquids using their polarisability values

  • Pablo Díaz-Rodríguez
  • , John C. Cancilla
  • , Natalia V. Plechkova
  • , Gemma Matute
  • , Kenneth R. Seddon
  • , José S. Torrecilla*
  • *Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

Statistical models have been used to estimate the refractive index of 72 imidazolium-based ionic liquids using the electronic polarisability of their ions as the data for two different mathematical approaches: artificial neural networks, in the form of multi-layer perceptrons, and multiple linear regression models. Although the artificial neural networks and linear models have been able to accomplish this task, the multi-layer perceptron model has been shown to be a more accurate method, thanks to its ability of determining non-linear relationships between different dependent variables. Additionally, it is clear that the multiple linear regression presents a systematic deviation in the estimated refractive index values, which confirms that it is an inappropriate model for this system. 

Original languageEnglish
Pages (from-to)128-134
Journal Physical Chemistry Chemical Physics
Volume16
Issue number1
Early online date28 Oct 2013
DOIs
Publication statusPublished - 07 Jan 2014

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • General Physics and Astronomy

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