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Source Characterization of Polycyclic Aromatic Hydrocarbons by Using Their Molecular Indices: An Overview of Possibilities

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Reviews of Environmental Contamination and Toxicology

Part of the book series: Reviews of Environmental Contamination and Toxicology ((RECT,volume 234))

Abstract

The Polycyclic Aromatic Hydrocarbons (PAHs or polyaromatic hydrocarbons) have been extensively studied to understand their distribution, fate and effects in the environment (Haftka 2009; Laane et al. 1999, 2006, 2013; Okuda et al. 2002; Page et al. 1999; Pavlova and Ivanova 2003; Stout et al. 2001a; Zhang et al. 2005). They are organic compounds consisting of conjoined aromatic rings without heteroatoms (Schwarzenbach et al. 2003). Sander and Wise (1997) list 660 parent PAH compounds (i.e., aromatic substances without alkyl groups and consisting solely of fused rings connected to each other), ranging from the monocyclic molecule of benzene (molecular weight = 78) up to nine-ringed structures (MW up to 478). PAHs containing one or more alkyl groups are called alkyl PAHs. Our study deals with the parent compounds (without alkyl groups and/or heteroatoms), the alkyl PAHs (denoted as PAHn, with n referring to the number of methyl groups; see footnotes in Table 1), and certain heterocyclic sulfur PAHs (dibenzothiophenes). The term PAHs includes all the above, unless explicitly specified. In Table 1, we present the nomenclature of PAHs used in this paper.

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Notes

  1. 1.

    MW: molecular weight.

  2. 2.

    Mass Spectrometry.

  3. 3.

    For guidelines on how to perform a fingerprinting analysis of PAH sources (assessment of historic records, sampling considerations, climatic conditions, background pollution, quality assurance, etc.) see Christensen and Tomasi (2007), Christensen et al. (2004), Saber et al. (2006), Stout et al. (2001b, 2003), Wang et al. (1999a).

  4. 4.

    A two component mixing model to estimate the “a” % contribution of the source A to the sample, where the ratio of the two isomers is “rs”, given the ratios of the isomer components in the sources A and B (rA and rB respectively), and only sources A and B contribute, would look like: \( \mathrm{a}=\frac{\left({r}_A+1\right)\left({r}_B-{r}_s\right)}{\left({r}_s+1\right)\left({r}_B-{r}_A\right)}. \)

  5. 5.

    Using 1st order kinetics, the ratio r after of two isomers (S and U) after photodegradation in air for time t would be: \( {R}_{after}={R}_{emission}{e}^{\left({k}_U-{k}_S\right)t} \), where k is the photodegradation constant of the respective analytes for a certain particle color.

  6. 6.

    The BaA/228 (i.e., the denominator is the sum of PAHs that have MW = 228) is sometimes used instead of BaA/C0, because of the coelution of triphenylene (TPh) and chrysene (e.g., Gogou et al. 2000). In this paper no discrimination is made between the two ratios.

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Acknowledgments

We wish to thank Dr. J. Haftka, Prof. Dr. P. de Voogt and an anonymous reviewer for their helpful and critical comments and suggestions. Dr. J. Burrough was our language editor.

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Authors and Affiliations

  1. Environmental Sciences, Institute for Biodiversity and Ecosystem Dynamics, Universiteit van Amsterdam, Science Park 904, 1098XH, Amsterdam, The Netherlands

    Efstathios Stogiannidis

  2. Galatades, 58300, Greece

    Efstathios Stogiannidis

  3. Deltares, 177, 2600 MH, Delft, The Netherlands

    Remi Laane

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  1. Efstathios Stogiannidis
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  2. Remi Laane
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Correspondence to Efstathios Stogiannidis .

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Editors and Affiliations

  1. Summerfield, North Carolina, USA

    David M. Whitacre

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Table 5 Key to literature data cited in figures
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Stogiannidis, E., Laane, R. (2015). Source Characterization of Polycyclic Aromatic Hydrocarbons by Using Their Molecular Indices: An Overview of Possibilities. In: Whitacre, D. (eds) Reviews of Environmental Contamination and Toxicology. Reviews of Environmental Contamination and Toxicology, vol 234. Springer, Cham. https://doi.org/10.1007/978-3-319-10638-0_2

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