Non-Targeted chemical characterization of a Marcellus shale gas well through GC  × GC with scripting algorithms and high-resolution time-of-flight mass spectrometry

Paulina K. Piotrowski, Benedikt A. Weggler, Erica Barth-Naftilan, Christina N. Kelly, Ralf Zimmermann, James E. Saiers, Franklin Lewis Dorman, Jr.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

A non-targeted study of hydraulic fracturing fluids and corresponding flowback fluids allows for the understanding of the origin of wastewater constituents and provides insight into chemical signatures that may inform wastewater management practices for unconventional gas development. The source water for the hydraulic fracturing fluids, the actual hydraulic fracturing fluids used in four stimulation stages, and four flowback samples were obtained from a single unconventional gas well located in northeastern, PA. The chemical complexity of these fluids required high-resolution non-targeted methodologies. Analyses were therefore performed by GC × GC-TOFMS with the use of mass spectral scripting algorithms to expedite data analysis while maintaining a discovery approach. Our results indicate that during the flowback period hydrocarbon concentrations increase with time. The relative chemical composition remains nearly constant, which is hypothesized to be representative of the hydrocarbons present in the native shale that were extracted during the hydraulic fracturing process. Additionally, a comparison of fracturing fluids and flowback with high-resolution time-of-flight mass spectrometry inferred the fate of three common organic modifiers: ethylene glycol, glutaraldehyde, and cinnamaldehyde. It was determined that ethylene glycol is removed from the well within the first four days of flowback, while polymerization reactions are primary mechanisms of glutaraldehyde and cinnamaldehyde transformation.

Original languageEnglish (US)
Pages (from-to)363-369
Number of pages7
JournalFuel
Volume215
DOIs
StatePublished - Mar 1 2018

Fingerprint

Fracturing fluids
Hydraulic fracturing
Hydraulic fluids
Mass spectrometry
Ethylene Glycol
Glutaral
Hydrocarbons
Ethylene glycol
Wastewater
Gases
Fluids
Shale
Polymerization
Shale gas
Water
Chemical analysis
cinnamic aldehyde

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology
  • Organic Chemistry

Cite this

Piotrowski, P. K., Weggler, B. A., Barth-Naftilan, E., Kelly, C. N., Zimmermann, R., Saiers, J. E., & Dorman, Jr., F. L. (2018). Non-Targeted chemical characterization of a Marcellus shale gas well through GC  × GC with scripting algorithms and high-resolution time-of-flight mass spectrometry. Fuel, 215, 363-369. https://doi.org/10.1016/j.fuel.2017.11.026
Piotrowski, Paulina K. ; Weggler, Benedikt A. ; Barth-Naftilan, Erica ; Kelly, Christina N. ; Zimmermann, Ralf ; Saiers, James E. ; Dorman, Jr., Franklin Lewis. / Non-Targeted chemical characterization of a Marcellus shale gas well through GC  × GC with scripting algorithms and high-resolution time-of-flight mass spectrometry. In: Fuel. 2018 ; Vol. 215. pp. 363-369.
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abstract = "A non-targeted study of hydraulic fracturing fluids and corresponding flowback fluids allows for the understanding of the origin of wastewater constituents and provides insight into chemical signatures that may inform wastewater management practices for unconventional gas development. The source water for the hydraulic fracturing fluids, the actual hydraulic fracturing fluids used in four stimulation stages, and four flowback samples were obtained from a single unconventional gas well located in northeastern, PA. The chemical complexity of these fluids required high-resolution non-targeted methodologies. Analyses were therefore performed by GC × GC-TOFMS with the use of mass spectral scripting algorithms to expedite data analysis while maintaining a discovery approach. Our results indicate that during the flowback period hydrocarbon concentrations increase with time. The relative chemical composition remains nearly constant, which is hypothesized to be representative of the hydrocarbons present in the native shale that were extracted during the hydraulic fracturing process. Additionally, a comparison of fracturing fluids and flowback with high-resolution time-of-flight mass spectrometry inferred the fate of three common organic modifiers: ethylene glycol, glutaraldehyde, and cinnamaldehyde. It was determined that ethylene glycol is removed from the well within the first four days of flowback, while polymerization reactions are primary mechanisms of glutaraldehyde and cinnamaldehyde transformation.",
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Non-Targeted chemical characterization of a Marcellus shale gas well through GC  × GC with scripting algorithms and high-resolution time-of-flight mass spectrometry. / Piotrowski, Paulina K.; Weggler, Benedikt A.; Barth-Naftilan, Erica; Kelly, Christina N.; Zimmermann, Ralf; Saiers, James E.; Dorman, Jr., Franklin Lewis.

In: Fuel, Vol. 215, 01.03.2018, p. 363-369.

Research output: Contribution to journalArticle

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