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

Nikoline Juul Nielsen; D. Ballabio; G. Tomasi; R. Todeschini; Jan H. Christensen

doi:10.1016/j.chroma.2012.03.062

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

Nikoline Juul Nielsen, D. Ballabio, G. Tomasi, R. Todeschini, Jan H. Christensen

14 Citations (Scopus)

Abstract

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.

Original language	English
Journal	Journal of Chromatography A
Volume	1238
Pages (from-to)	121-127
Number of pages	7
ISSN	0021-9673
DOIs	https://doi.org/10.1016/j.chroma.2012.03.062
Publication status	Published - 18 May 2012

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title = "Chemometric analysis of gas chromatography with flame ionisation detection chromatograms: a novel method for classification of petroleum products",

abstract = "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.",

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T1 - Chemometric analysis of gas chromatography with flame ionisation detection chromatograms

T2 - a novel method for classification of petroleum products

AU - Nielsen, Nikoline Juul

AU - Ballabio, D.

AU - Tomasi, G.

AU - Todeschini, R.

AU - Christensen, Jan H.

PY - 2012/5/18

Y1 - 2012/5/18

N2 - 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.

AB - 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.

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DO - 10.1016/j.chroma.2012.03.062

M3 - Journal article

C2 - 22503620

SN - 0301-4770

VL - 1238

SP - 121

EP - 127

JO - Journal of Chromatography

JF - Journal of Chromatography

ER -

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

Abstract

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