title: ATR-FTIR spectroscopy and quantitative multivariate analysis of paints and coating materials.
abstract: The applicability of ATR-FTIR spectroscopy with partial least squares (PLS) data analysis was evaluated for quantifying the components of mixtures of paint binding media and pigments, and alkyd resins. PLS methods were created using a number of standard mixtures. Validation and measurement uncertainty estimation was carried out. Binary, ternary and quaternary mixtures of several common binding media and pigments were quantified, with standard measurement uncertainties in most cases below 3g/100g. Classes of components - aromatic anhydrides and alcohols - used in alkyd resin synthesis were also successfully quantified, with standard uncertainties in the range of 2-3g/100g. This is a more demanding application because in alkyd resins aromatic anhydrides and alcohols have reacted to form a polyester, and are not present in their original forms. Once a PLS method has been calibrated, analysis time and cost are significantly reduced from typical quantitative methods such as GC/MS. This is beneficial in the case of routine analysis where the components are known.
authors.affiliation: University of Tartu, Institute of Chemistry, 14a Ravila str, 50411 Tartu, Estonia; National Oceanography Centre, University of Southampton Waterfront Campus, European Way, Southampton SO14 3ZH, United Kingdom.
authors.forename: Philippa Alice
authors.initials: PA
authors.lastname: Hayes
authors.affiliation: University of Tartu, Institute of Chemistry, 14a Ravila str, 50411 Tartu, Estonia. Electronic address: signe.vahur@ut.ee.
authors.forename: Signe
authors.initials: S
authors.lastname: Vahur
authors.affiliation: University of Tartu, Institute of Chemistry, 14a Ravila str, 50411 Tartu, Estonia.
authors.forename: Ivo
authors.initials: I
authors.lastname: Leito
mesh_terms: D016018:Least-Squares Analysis; D015999:Multivariate Analysis; D010150:Paint / Q000032:analysis*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*
keywords: ATR-FT-IR spectroscopy; Alkyd resins; Paint; Partial least squares; Quantitative analysis