Comprehensive database of Manufactured Gas Plant tars – Part C Heterocyclic and hydroxylated PAHs

Christopher Gallacher, Russell Thomas, Richard Lord, Robert M. Kalin, Chris Taylor

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

RATIONALE
Coal tars are a mixture of both organic and inorganic compounds and were produced as a by-product from the manufactured gas and coke making industries. The product tar compositions varied depending on many factors such as the temperature of production and the type of retort used. For this reason a comprehensive database of the compounds found within different tar types is of value to both understand how their compositions differ and what potential chemical hazards are present. This study focuses on the heterocyclic and hydroxylated compounds present within a database produced from 16 different tars from 5 different production processes.

METHODS
Samples of coal tar were extracted using accelerated solvent extraction (ASE) and derivatized post extraction using N,O-Bis(trimethylsilyl)trifluoroacetamide (BSTFA) with 1% trimethylchlorosilane (TMCS). The derivatized samples were analysed using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS).

RESULTS
A total of 865 Heterocyclic compounds and 359 hydroxylated polycyclic aromatic hydrocarbons were detected within 16 tar samples produced by 5 different production process. Both the heterocyclic and hydroxylated PAH content varied greatly with the production process used with the heterocyclic compounds giving information about the feedstock used. Of the 359 hydroxylated PAHs detected the majority would not be detected without the use of derivatization.

CONCLUSIONS
Coal tars produced using different production processes and feedstocks produced tars with significantly different heterocyclic and hydroxylated contents. The concentrations of the individual heterocyclic compounds varied greatly even within the different production processes and provided information about the feedstock used to produce the tars. The hydroxylated PAH content of the samples provided important forensic information that would otherwise not be obtained without the use of derivatization and GCxGC/TOFMS.
LanguageEnglish
Pages1250-1260
Number of pages11
JournalRapid Communications in Mass Spectrometry
Volume31
Issue number15
Early online date17 May 2017
DOIs
Publication statusPublished - 15 Aug 2017

Fingerprint

Tars
Gas plants
tar
Polycyclic aromatic hydrocarbons
PAH
Heterocyclic Compounds
gas
Feedstocks
Chemical hazards
Coal Tar
Inorganic compounds
coal tar
inorganic compound
Polycyclic Aromatic Hydrocarbons
Solvent extraction
Chemical analysis
Organic compounds
Coke
Gas chromatography
Mass spectrometry

Keywords

  • GCxGC/TOFMS
  • coal tars
  • environmental forensics
  • derivatization
  • chemical hazards
  • heterocyclic compounds
  • hydroxylated compounds
  • accelerated solvent extraction
  • two-dimensional gas chromatography
  • time-of-flight mass spectrometry

Cite this

@article{378875b1dfa246bdb8a2ace127fee0cc,
title = "Comprehensive database of Manufactured Gas Plant tars – Part C Heterocyclic and hydroxylated PAHs",
abstract = "RATIONALECoal tars are a mixture of both organic and inorganic compounds and were produced as a by-product from the manufactured gas and coke making industries. The product tar compositions varied depending on many factors such as the temperature of production and the type of retort used. For this reason a comprehensive database of the compounds found within different tar types is of value to both understand how their compositions differ and what potential chemical hazards are present. This study focuses on the heterocyclic and hydroxylated compounds present within a database produced from 16 different tars from 5 different production processes. METHODSSamples of coal tar were extracted using accelerated solvent extraction (ASE) and derivatized post extraction using N,O-Bis(trimethylsilyl)trifluoroacetamide (BSTFA) with 1{\%} trimethylchlorosilane (TMCS). The derivatized samples were analysed using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS). RESULTSA total of 865 Heterocyclic compounds and 359 hydroxylated polycyclic aromatic hydrocarbons were detected within 16 tar samples produced by 5 different production process. Both the heterocyclic and hydroxylated PAH content varied greatly with the production process used with the heterocyclic compounds giving information about the feedstock used. Of the 359 hydroxylated PAHs detected the majority would not be detected without the use of derivatization. CONCLUSIONSCoal tars produced using different production processes and feedstocks produced tars with significantly different heterocyclic and hydroxylated contents. The concentrations of the individual heterocyclic compounds varied greatly even within the different production processes and provided information about the feedstock used to produce the tars. The hydroxylated PAH content of the samples provided important forensic information that would otherwise not be obtained without the use of derivatization and GCxGC/TOFMS.",
keywords = "GCxGC/TOFMS, coal tars, environmental forensics, derivatization, chemical hazards, heterocyclic compounds, hydroxylated compounds, accelerated solvent extraction, two-dimensional gas chromatography, time-of-flight mass spectrometry",
author = "Christopher Gallacher and Russell Thomas and Richard Lord and Kalin, {Robert M.} and Chris Taylor",
note = "This is the peer reviewed version of the following article: Gallacher, C., Thomas, R., Lord, R., Kalin, R. M., & Taylor, C. (2017). Comprehensive database of Manufactured Gas Plant tars – Part C Heterocyclic and hydroxylated PAHs. Rapid Communications in Mass Spectrometry, which has been published in final form at https://doi.org/10.1002/rcm.7904. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving",
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Comprehensive database of Manufactured Gas Plant tars – Part C Heterocyclic and hydroxylated PAHs. / Gallacher, Christopher; Thomas, Russell; Lord, Richard; Kalin, Robert M.; Taylor, Chris.

In: Rapid Communications in Mass Spectrometry , Vol. 31, No. 15, 15.08.2017, p. 1250-1260.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Comprehensive database of Manufactured Gas Plant tars – Part C Heterocyclic and hydroxylated PAHs

AU - Gallacher, Christopher

AU - Thomas, Russell

AU - Lord, Richard

AU - Kalin, Robert M.

AU - Taylor, Chris

N1 - This is the peer reviewed version of the following article: Gallacher, C., Thomas, R., Lord, R., Kalin, R. M., & Taylor, C. (2017). Comprehensive database of Manufactured Gas Plant tars – Part C Heterocyclic and hydroxylated PAHs. Rapid Communications in Mass Spectrometry, which has been published in final form at https://doi.org/10.1002/rcm.7904. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving

PY - 2017/8/15

Y1 - 2017/8/15

N2 - RATIONALECoal tars are a mixture of both organic and inorganic compounds and were produced as a by-product from the manufactured gas and coke making industries. The product tar compositions varied depending on many factors such as the temperature of production and the type of retort used. For this reason a comprehensive database of the compounds found within different tar types is of value to both understand how their compositions differ and what potential chemical hazards are present. This study focuses on the heterocyclic and hydroxylated compounds present within a database produced from 16 different tars from 5 different production processes. METHODSSamples of coal tar were extracted using accelerated solvent extraction (ASE) and derivatized post extraction using N,O-Bis(trimethylsilyl)trifluoroacetamide (BSTFA) with 1% trimethylchlorosilane (TMCS). The derivatized samples were analysed using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS). RESULTSA total of 865 Heterocyclic compounds and 359 hydroxylated polycyclic aromatic hydrocarbons were detected within 16 tar samples produced by 5 different production process. Both the heterocyclic and hydroxylated PAH content varied greatly with the production process used with the heterocyclic compounds giving information about the feedstock used. Of the 359 hydroxylated PAHs detected the majority would not be detected without the use of derivatization. CONCLUSIONSCoal tars produced using different production processes and feedstocks produced tars with significantly different heterocyclic and hydroxylated contents. The concentrations of the individual heterocyclic compounds varied greatly even within the different production processes and provided information about the feedstock used to produce the tars. The hydroxylated PAH content of the samples provided important forensic information that would otherwise not be obtained without the use of derivatization and GCxGC/TOFMS.

AB - RATIONALECoal tars are a mixture of both organic and inorganic compounds and were produced as a by-product from the manufactured gas and coke making industries. The product tar compositions varied depending on many factors such as the temperature of production and the type of retort used. For this reason a comprehensive database of the compounds found within different tar types is of value to both understand how their compositions differ and what potential chemical hazards are present. This study focuses on the heterocyclic and hydroxylated compounds present within a database produced from 16 different tars from 5 different production processes. METHODSSamples of coal tar were extracted using accelerated solvent extraction (ASE) and derivatized post extraction using N,O-Bis(trimethylsilyl)trifluoroacetamide (BSTFA) with 1% trimethylchlorosilane (TMCS). The derivatized samples were analysed using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS). RESULTSA total of 865 Heterocyclic compounds and 359 hydroxylated polycyclic aromatic hydrocarbons were detected within 16 tar samples produced by 5 different production process. Both the heterocyclic and hydroxylated PAH content varied greatly with the production process used with the heterocyclic compounds giving information about the feedstock used. Of the 359 hydroxylated PAHs detected the majority would not be detected without the use of derivatization. CONCLUSIONSCoal tars produced using different production processes and feedstocks produced tars with significantly different heterocyclic and hydroxylated contents. The concentrations of the individual heterocyclic compounds varied greatly even within the different production processes and provided information about the feedstock used to produce the tars. The hydroxylated PAH content of the samples provided important forensic information that would otherwise not be obtained without the use of derivatization and GCxGC/TOFMS.

KW - GCxGC/TOFMS

KW - coal tars

KW - environmental forensics

KW - derivatization

KW - chemical hazards

KW - heterocyclic compounds

KW - hydroxylated compounds

KW - accelerated solvent extraction

KW - two-dimensional gas chromatography

KW - time-of-flight mass spectrometry

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JO - Rapid Communications in Mass Spectrometry

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