Limits of identification using VUV spectroscopy applied to C8H18 isomers isolated by GC GC

David C. Bell; John Feldhausen; Aaron J. Spieles; Randall C. Boehm; Joshua S. Heyne

doi:10.1016/j.talanta.2023.124451

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Limits of identification using VUV spectroscopy applied to C8H18 isomers isolated by GC GC

Journal article

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Limits of identification using VUV spectroscopy applied to C8H18 isomers isolated by GC GC

David C. Bell, John Feldhausen, Aaron J. Spieles, Randall C. Boehm and Joshua S. Heyne

Talanta (Oxford), Vol.258(C), pp.124451-124451

06/01/2023

DOI: https://doi.org/10.1016/j.talanta.2023.124451

PMID: 36931058

Appears in Aviation Sustainability Center (ASCENT)

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Abstract

GC×GC

Isomer identification

Sustainable aviation fuel

Vacuum ultraviolet spectroscopy

ASCENT

The vacuum ultraviolet detector for gas chromatography can be used to identify structural differences between isomers with similar chromatographic elution times, which adds detail to characterization, valuable for prescreening of sustainable aviation fuel candidates. Although this capability has been introduced elsewhere, vacuum ultraviolet spectroscopy for saturated hydrocarbons has been examined minimally, as the similarities between their spectra are much less significant than their aromatic counterparts. The fidelity with which structural differences can be identified has been unclear. In this work, all possible structural isomers of C8H18 are measured and determined to have unambiguously unique vacuum ultraviolet spectra. Using a statistically based residual comparison approach, the concentration limits at which the spectral differences are interpretable are tested in both a controlled study and a real fuel application. The concentration limit at which the spectral differences between C8H18 isomers are unambiguous is below 0.40% by mass and less than 0.20% with human discretion in our experimental configuration. [Display omitted] •Ultraviolet spectra of all 18 constitutional isomers of octane are reported.•The spectra of each isomer of octane is shown to be unique and unambiguously distinguishable.•Limits of identification are determined to be <0.20%m for the isomers of octane.•Identification of an 0.16%m iso-alkane peak in Jet A was positively identified as 3-methylheptane.

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Title: Limits of identification using VUV spectroscopy applied to C8H18 isomers isolated by GC GC
Creators: David C. Bell - Washington State University
John Feldhausen - Washington State University
Aaron J. Spieles - University of Dayton
Randall C. Boehm - Washington State University, School of Mechanical and Materials Engineering
Joshua S. Heyne - University of Dayton
Publication Details: Talanta (Oxford), Vol.258(C), pp.124451-124451
Academic Unit: Aviation Sustainability Center (ASCENT); Alternative Jet Fuel
Publisher: Elsevier B.V
Grants: 13-C-AJFE-UD-026 , Federal Aviation Administration (United States, Washington) - FAA
Identifiers: 99901007835501842
Language: English
Resource Type: Journal article