Chemometric analysis of gas chromatography with flame ionisation detection chromatograms: A novel method for classification of petroleum products

Most oil characterisation procedures are time consuming, labour intensive and utilise only part of the acquired chemical information. Oil spill fingerprinting with multivariate data processing represents a fast and objective evaluation procedure, where the entire chromatographic profile is used. Methods for oil classification should be robust towards changes imposed on the spill fingerprint by short-term weathering, i.e. dissolution and evaporation processes in the hours following a spill. We propose a methodology for the classification of petroleum products. The method consists of: chemical analysis; data clean-up by baseline removal, retention time alignment and normalisation; recognition of oil type by classification followed by initial source characterisation. A classification model based on principal components and quadratic discrimination robust towards the effect of short-term weathering was established. The method was tested successfully on real spill and source samples.

► Fingerprint classification was used as screening tool for oil spill-source matching.
► Implementing knowledge of short-term weathering effects refined classification.
► Real spill samples were classified by oil-type and spill-source similarity explored.