Comprehensive database of Manufactured Gas Plant tars – Part A Database

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

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Rationale

Coal tars are a mixture of organic and inorganic compounds and were by-products from the manufactured gas and coke making industries. Different manufacturing processes have resulted in the production of distinctly different tar compositions. This study presents a comprehensive database of compounds produced using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS), analysing 16 tar samples produced by 5 distinct 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 16 tar samples originating from 5 different production processes: Low Temperature Horizontal Retorts, Horizontal Retorts, Vertical Retorts, Carbureted Water Gas and Coke Ovens, were analysed. 2369 unique compounds were detected with 948 aromatic compounds, 196 aliphatic compounds, 380 sulphur-containing compounds, 209 oxygen-containing compounds, 262 nitrogen-containing compounds and 15 mixed heterocycles. Derivatization allowed the detection of 359 unique compounds, the majority in the form of hydroxylated polycyclic aromatic hydrocarbons, many of which would not have been detected without derivatization. Of the 2369 unique compounds detected 173 compounds were found to be present within all samples.

Conclusions

A unique comprehensive database of compounds detected within 16 tar samples from 5 different production processes was produced. The 173 compounds identified within every sample may be of particular importance from a regulatory standpoint. This initial study indicates that different production processes produce tars with different chemical signatures and it can be further expanded upon by in-depth analysis of the different compound types. The number of compounds presented within this database clearly demonstrates the analytical power of GCxGC/TOFMS.
LanguageEnglish
Pages1231-1238
Number of pages8
JournalRapid Communications in Mass Spectrometry
Volume31
Issue number15
Early online date10 May 2017
DOIs
Publication statusPublished - 15 Aug 2017

Fingerprint

Tars
Gas plants
tar
gas
Gas chromatography
Mass spectrometry
gas chromatography
mass spectrometry
Gases
Coal Tar
Inorganic compounds
coal tar
Nitrogen compounds
Coke ovens
inorganic compound
Sulfur compounds
Aromatic compounds
nitrogen compound
Polycyclic Aromatic Hydrocarbons
sulfur compound

Keywords

  • GCxGC/TOFMS
  • coal tar
  • environmental forensics
  • derivatization
  • two-dimensional gas chromatography
  • time-of-flight mass spectrometry

Cite this

@article{cf01e08d5dec48d39b46f3a7d284448e,
title = "Comprehensive database of Manufactured Gas Plant tars – Part A Database",
abstract = "RationaleCoal tars are a mixture of organic and inorganic compounds and were by-products from the manufactured gas and coke making industries. Different manufacturing processes have resulted in the production of distinctly different tar compositions. This study presents a comprehensive database of compounds produced using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS), analysing 16 tar samples produced by 5 distinct 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 16 tar samples originating from 5 different production processes: Low Temperature Horizontal Retorts, Horizontal Retorts, Vertical Retorts, Carbureted Water Gas and Coke Ovens, were analysed. 2369 unique compounds were detected with 948 aromatic compounds, 196 aliphatic compounds, 380 sulphur-containing compounds, 209 oxygen-containing compounds, 262 nitrogen-containing compounds and 15 mixed heterocycles. Derivatization allowed the detection of 359 unique compounds, the majority in the form of hydroxylated polycyclic aromatic hydrocarbons, many of which would not have been detected without derivatization. Of the 2369 unique compounds detected 173 compounds were found to be present within all samples.ConclusionsA unique comprehensive database of compounds detected within 16 tar samples from 5 different production processes was produced. The 173 compounds identified within every sample may be of particular importance from a regulatory standpoint. This initial study indicates that different production processes produce tars with different chemical signatures and it can be further expanded upon by in-depth analysis of the different compound types. The number of compounds presented within this database clearly demonstrates the analytical power of GCxGC/TOFMS.",
keywords = "GCxGC/TOFMS, coal tar, environmental forensics, derivatization, 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 A Database. Rapid Communications in Mass Spectrometry, which has been published in final form at https://doi.org/10.1002/rcm.7901. 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 A Database. / 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. 1231-1238.

Research output: Contribution to journalArticle

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T1 - Comprehensive database of Manufactured Gas Plant tars – Part A Database

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 A Database. Rapid Communications in Mass Spectrometry, which has been published in final form at https://doi.org/10.1002/rcm.7901. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.

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N2 - RationaleCoal tars are a mixture of organic and inorganic compounds and were by-products from the manufactured gas and coke making industries. Different manufacturing processes have resulted in the production of distinctly different tar compositions. This study presents a comprehensive database of compounds produced using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS), analysing 16 tar samples produced by 5 distinct 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 16 tar samples originating from 5 different production processes: Low Temperature Horizontal Retorts, Horizontal Retorts, Vertical Retorts, Carbureted Water Gas and Coke Ovens, were analysed. 2369 unique compounds were detected with 948 aromatic compounds, 196 aliphatic compounds, 380 sulphur-containing compounds, 209 oxygen-containing compounds, 262 nitrogen-containing compounds and 15 mixed heterocycles. Derivatization allowed the detection of 359 unique compounds, the majority in the form of hydroxylated polycyclic aromatic hydrocarbons, many of which would not have been detected without derivatization. Of the 2369 unique compounds detected 173 compounds were found to be present within all samples.ConclusionsA unique comprehensive database of compounds detected within 16 tar samples from 5 different production processes was produced. The 173 compounds identified within every sample may be of particular importance from a regulatory standpoint. This initial study indicates that different production processes produce tars with different chemical signatures and it can be further expanded upon by in-depth analysis of the different compound types. The number of compounds presented within this database clearly demonstrates the analytical power of GCxGC/TOFMS.

AB - RationaleCoal tars are a mixture of organic and inorganic compounds and were by-products from the manufactured gas and coke making industries. Different manufacturing processes have resulted in the production of distinctly different tar compositions. This study presents a comprehensive database of compounds produced using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS), analysing 16 tar samples produced by 5 distinct 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 16 tar samples originating from 5 different production processes: Low Temperature Horizontal Retorts, Horizontal Retorts, Vertical Retorts, Carbureted Water Gas and Coke Ovens, were analysed. 2369 unique compounds were detected with 948 aromatic compounds, 196 aliphatic compounds, 380 sulphur-containing compounds, 209 oxygen-containing compounds, 262 nitrogen-containing compounds and 15 mixed heterocycles. Derivatization allowed the detection of 359 unique compounds, the majority in the form of hydroxylated polycyclic aromatic hydrocarbons, many of which would not have been detected without derivatization. Of the 2369 unique compounds detected 173 compounds were found to be present within all samples.ConclusionsA unique comprehensive database of compounds detected within 16 tar samples from 5 different production processes was produced. The 173 compounds identified within every sample may be of particular importance from a regulatory standpoint. This initial study indicates that different production processes produce tars with different chemical signatures and it can be further expanded upon by in-depth analysis of the different compound types. The number of compounds presented within this database clearly demonstrates the analytical power of GCxGC/TOFMS.

KW - GCxGC/TOFMS

KW - coal tar

KW - environmental forensics

KW - derivatization

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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JF - Rapid Communications in Mass Spectrometry

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