Standard method design considerations for semi-quantification of total naphthenic acids in oil sands process affected water by mass spectrometry: A review

Kovalchik, Kevin; MacLennan, Matthew S.; Peru, Kerry M.; Headley, John V.; Chen, David D. Y.

doi:10.1007/s11705-017-1652-0

Cited by 35 publications

(18 citation statements)

References 31 publications

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“…Chem. reviewing PDF | (ACHEM- 2020:08:52271:1:2:NEW 9 Mar 2021) Manuscript to be reviewed Chemistry Journals Analytical, Inorganic, Organic, Physical, Materials Science Previous studies on dissolved organics in oilfield produced water have employed LLE or solid-phase extraction (SPE) (Thomas et al, 2009;Kovalchik et al, 2017;Barros et al, 2018;Samanipour et al, 2019). For produced water, LLE using DCM has been shown to have a similar recovery as SPE (Samanipour et al, 2019).…”

Section: Sample Preparation and Analysesmentioning

confidence: 99%

Peer Review #2 of "Non-target screening of organic compounds in offshore produced water by GC×GC-MS (v0.1)"

2021

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Section: Sample Preparation and Analysesmentioning

confidence: 99%

Peer Review #2 of "Non-target screening of organic compounds in offshore produced water by GC×GC-MS (v0.1)"

2021

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“…Previous studies on dissolved organics in oilfield produced water have employed LLE or solid-phase extraction (SPE) (Thomas et al, 2009;Kovalchik et al, 2017;Barros et al, 2018;Samanipour et al, 2019). For produced water, LLE using DCM has been shown to have a similar recovery as SPE (Samanipour et al, 2019).…”

Section: Sample Preparation and Analysesmentioning

confidence: 99%

Non-Target Screening of Organic Compounds in Offshore Produced Water by GC×GC-MS

Bergfors¹,

Ho²,

Jensen³

et al. 2020

Preprint

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Produced water is the largest by-product of oil and gas production. At off-shore installations, the produced water is typically reinjected or discharged into the sea. The water contains a complex mixture of dispersed and dissolved oil, solids and inorganic ions. A better understanding of its composition is fundamental to 1) improve environmental impact assessment tools and 2) develop more efficient water treatment technologies. The objective of the study was to screen produced water sampled from a producing field in the Danish region of the North Sea to identify any containing organic compounds. The samples were taken at a test separator and represent an unfiltered picture of the composition before cleaning procedures. The analytes were isolated by liquid-liquid extraction and derivatized using a silylation reagent to increase the volatility of oxygenated compounds. The final extracts were analyzed by comprehensive multi-dimensional gas chromatography coupled to a high-resolution mass spectrometer. A non-target processing workflow was implemented to extract features and quantify the confidence of library matches by correlation to retention indices and the presence of molecular ions. Approximately 120 unique compounds were identified across nine samples. Of those, 15 were present in all samples. The main types of compounds are aliphatic and aromatic carboxylic acids with a small fraction of hydrocarbons. The findings have implications for developing improved environmental impact assessment tools and water remediation technologies.

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“…Naphthenic acids are a diverse assemblage of aliphatic, alicyclic, and aromatic carboxylic acids associated with heavy crude oils and oil sands process waters (Brown and Ulrich 2015;Headley et al 2016;Kovalchik et al 2017). Although their structural diversity is wide and includes heteroatoms such as N and S, naphthenic acids that are classically defined by their isomer class C n H 2n-z O 2 , (where n = number of carbons, typically 8-20 and z = number of hydrogen deficiencies, typically 2-8) have been found to be associated with acute toxicity (Bartlett et al 2017 modest octanol/water partition constant (Zhang et al 2015) with the pH dependent octanol/water distribution ratio (D OW ) at pH 8.4 ranging from 0.01 to 100.…”

Section: Naphthenic Acidsmentioning

confidence: 99%

Direct Measurement of Acid Dissociation Constants of Trace Organic Compounds at Nanomolar Levels in Aqueous Solution by Condensed Phase–Membrane Introduction Mass Spectrometry

Feehan

Monaghan

Gill

et al. 2019

Enviro Toxic and Chemistry

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We report the use of condensed phase–membrane introduction mass spectrometry as a novel method for the determination of acid dissociation constants for hydrophobic organic acids in aqueous solution at nanomolar concentrations. The technique is based on the pH‐dependent permeation of analytes through a semipermeable polydimethylsiloxane membrane probe that is immersed directly in aqueous samples. We describe the method and report the dissociation constant (pKa) values for compounds of biological and environmental relevance, including contaminants, pharmaceuticals, and naphthenic acids. The approach can be applied to individual compounds, combined suites, and complex mixtures at parts‐per‐billion levels. We report pKa values for 10 carboxylic acids with precision estimates and relative errors (where reliable literature values are available) of <0.1 log units. We report acidity constants for 2‐methyl‐3‐methoxy‐4‐phenyl butanoic acid (a biomarker for microcystin algal toxins) and 4‐t‐butylcyclohexane carboxylic acid (a model naphthenic acid) as 4.28 ± 0.03 and 5.15 ± 0.05, respectively. Furthermore, we employ this approach to measure the effect of both temperature and deuterium oxide (heavy water) on acid dissociation, reporting the enthalpy and entropy changes for the ionization of a representative carboxylic acid and substituted phenol. Environ Toxicol Chem 2019;38:1879–1889. © 2019 SETAC.

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Standard method design considerations for semi-quantification of total naphthenic acids in oil sands process affected water by mass spectrometry: A review

Cited by 35 publications

References 31 publications

Peer Review #2 of "Non-target screening of organic compounds in offshore produced water by GC×GC-MS (v0.1)"

Peer Review #2 of "Non-target screening of organic compounds in offshore produced water by GC×GC-MS (v0.1)"

Non-Target Screening of Organic Compounds in Offshore Produced Water by GC×GC-MS

Direct Measurement of Acid Dissociation Constants of Trace Organic Compounds at Nanomolar Levels in Aqueous Solution by Condensed Phase–Membrane Introduction Mass Spectrometry

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