Inverse gas chromatographic and chemometric tools for determination of interactions between the components of polymeric composition

A. Voelkel, K. Milczewska, K. Héberger

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Compositions of polymers (polyethylene and polyuretane) and fillers (initial silica and silicas modified with: N-2-aminoethyl-3- aminopropyltrimethoxysilane, 3-aminopropyltriethoxy-silane, 3- merkaptopropyltrimethoxysilane, octyltriethoxysilane) were examined by inverse gas chromatography at 383 K. Small amounts of the following test solutes were injected to achieve the infinite dilution conditions: pentane, hexane, heptane, octane, nonane, dichloromethane, chloroform, carbon tetrachloride and 1,2-dichloroethane. The retention times for these test solutes were determined and Flory-Huggins parameters were calculated. Flory-Huggins parameters characterize interactions between components: χ12∞ - between composition and the test solute and χ′23 - between polymer and filler in the composition. Values of both physicochemical parameters characterizing the examined materials were arranged in a matrix form: in the rows the compositions were enumerated at different temperatures whereas the columns contained the test solutes. After standardization the input matrix was subjected to principal component analysis. Three principal components explain more than 93% of the total variance in the data. Almost all test solutes carry very similar information. Therefore, it is justified to eliminate most of them from the series of test solutes.

Original languageEnglish
Pages (from-to)221-226
Number of pages6
JournalAnalytica Chimica Acta
Issue number2
Publication statusPublished - Feb 16 2006



  • Chemometrics
  • Flory-Huggins parameter
  • Inverse gas chromatography
  • Modified fillers
  • Polymer-filler interactions
  • Principal component analysis

ASJC Scopus subject areas

  • Analytical Chemistry
  • Biochemistry
  • Environmental Chemistry
  • Spectroscopy

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