Class separation of the trace polar species present in diesel using hydrophilic interaction chromatography and high resolution mass spectrometry

dc.contributor.authorSmit, Elize
dc.contributor.authorDe Goede, Stefan
dc.contributor.authorRohwer, Egmont Richard
dc.date.accessioned2018-10-25T05:59:25Z
dc.date.issued2018-08-27
dc.description.abstractThe analysis of fuels is not straightforward, due to its complex nature, and many different techniques have been developed to address this complexity. This paper reports on the use of hydrophilic interaction liquid chromatography (HILIC) as a complementary and green method for classifying diesel fuel composition. For comparative reasons, analyses with and without chromatographic preseparation were performed. Selective ionization of polar species was achieved with electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI). High resolution time-of-flight mass spectrometry (TOFMS) was used to summarize the fuel composition in terms of compound classes based on accurate mass based elemental compositions. These compound classes showed different retention characteristics and were separated to a certain extent under hydrophilic interaction conditions. In normal phase liquid chromatography, the separation is based on heteroatom content, whereas alkylation (chain length) and degree of unsaturation (or double bond equivalents, DBE) play an important role in reversed phase liquid chromatography. The separation achieved with the proposed HILIC method depended on heteroatom content, DBE as well as hydrogen bonding, while alkylation did not influence retention significantly. This work therefore presents an alternative and complementary method for fuel analysis, compared to traditional reverse and normal phase liquid chromatography, by considering specific advantages and limitations.en_ZA
dc.description.departmentChemistryen_ZA
dc.description.embargo2019-08-27
dc.description.librarianhj2018en_ZA
dc.description.sponsorshipSasol (Sasol Energy, Energy Technology), the Deutscher Akademischer Austauschdienst (DAAD), and the National Research Foundation (NRF).en_ZA
dc.description.urihttp://pubs.acs.org/journal/enfuemen_ZA
dc.identifier.citationSmit, E., De Goede, S. & Rohwer, E.R. 2018, 'Class separation of the trace polar species present in diesel using hydrophilic interaction chromatography and high resolution mass spectrometry', Energy Fuels , vol. 32, no. 9, pp. 8944-8954.en_ZA
dc.identifier.issn0887-0624 (print)
dc.identifier.issn1520-5029 (online)
dc.identifier.other10.1021/acs.energyfuels.8b01089
dc.identifier.urihttp://hdl.handle.net/2263/67061
dc.language.isoenen_ZA
dc.publisherAmerican Chemical Societyen_ZA
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Energy and Fuels, © 2018 American Chemical Society after peer review and technical editing by the publisher.en_ZA
dc.subjectLiquid chromatographyen_ZA
dc.subjectAlkylationen_ZA
dc.subjectAtmospheric ionizationen_ZA
dc.subjectAtmospheric pressureen_ZA
dc.subjectElectrospray ionizationen_ZA
dc.subjectFuelsen_ZA
dc.subjectHydrogen bondsen_ZA
dc.subjectHydrophilicityen_ZA
dc.subjectLiquidsen_ZA
dc.subjectMass spectrometryen_ZA
dc.subjectSeparationen_ZA
dc.subjectElectrospray ionization (ESI)en_ZA
dc.subjectHigh resolution mass spectrometryen_ZA
dc.subjectHydrophilic interaction chromatographyen_ZA
dc.subjectNormal phase liquid chromatographyen_ZA
dc.subjectReversed phase liquid-chromatographyen_ZA
dc.subjectHydrophilic interaction liquid chromatography (HILIC)en_ZA
dc.subjectAtmospheric pressure chemical ionization (APCI)en_ZA
dc.subjectTime-of-flight mass spectrometry (TOFMS)en_ZA
dc.subjectDouble bond equivalents (DBE)en_ZA
dc.titleClass separation of the trace polar species present in diesel using hydrophilic interaction chromatography and high resolution mass spectrometryen_ZA
dc.typePostprint Articleen_ZA

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