Abstract
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.
| Language | English |
|---|---|
| Pages | 1250-1260 |
| Number of pages | 11 |
| Journal | Rapid Communications in Mass Spectrometry |
| Volume | 31 |
| Issue number | 15 |
| Early online date | 17 May 2017 |
| DOIs | |
| Publication status | Published - 15 Aug 2017 |
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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
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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 journal › Article
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
UR - http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1097-0231
U2 - 10.1002/rcm.7904
DO - 10.1002/rcm.7904
M3 - Article
VL - 31
SP - 1250
EP - 1260
JO - Rapid Communications in Mass Spectrometry
T2 - Rapid Communications in Mass Spectrometry
JF - Rapid Communications in Mass Spectrometry
SN - 0951-4198
IS - 15
ER -