Oxidation of Neat Synthetic Paraffinic Kerosene Fuel and Fuel Surrogates: Quantitation of Dihydrofuranones

Webster, Renée L.; Evans, David J.; Rawson, Paul M.; Mitrevski, Blagoj; Marriott, Philip J.

doi:10.1021/ef301638a

Cited by 10 publications

(16 citation statements)

References 31 publications

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“…The studied stationary phases are 5% (phenyl)methylpolysiloxane (5 ms), polyethylene glycol (WAX) and an ionic liquid phase (SLB-IL82). Their temperature-dependent LSER descriptors were obtained/extrapolated from literature. − The studied sample contains 678 compounds in oxidized jet fuels, the descriptors of which were obtained from the LSER database with the possible compound types and carbon number obtained from previous literature. ,, The list of analytes is provided in Supporting Information Table S1. On the basis of eq , a script for simulation of i t R,j of analytes in temperature-programmed 2D separation was developed using Microsoft Visual Basic.…”

Section: Experimental Sectionmentioning

confidence: 99%

Continuum in MDGC Technology: From Classical Multidimensional to Comprehensive Two-Dimensional Gas Chromatography

et al. 2016

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Recent advances in multidimensional gas chromatography (MDGC) comprise methods such as multiple heart-cut (H/C) analysis and comprehensive two-dimensional gas chromatography (GC × GC); however, clear approaches to evaluate the MDGC results, choice of the most appropriate method, and optimized separation remain of concern. In order to track the capability of these analytical techniques and select an effective experimental approach, a fundamental approach was developed utilizing a time summation model incorporating temperature-dependent linear solvation energy relationship (LSER). The approach allows prediction of optimized analyte distribution in the 2D space for various MDGC approaches employing different experimental variables such as column lengths, temperature programs, and stationary phase combinations in order to evaluate separation performance (apparent (1)D, (2)D, total number of separated peaks, and orthogonality) for simulated MDGC results. The methodology applied LSER to generate results for nonpolar-polar and polar-nonpolar 2D column configurations for separation of 678 compounds in an oxidized kerosene-based jet fuel sample. Three-dimensional plots were generated in order to illustrate the dependency of separation performance on (2)D column length and number of injections for different stationary phase combinations. With a given limit of analysis time, a MDGC approach to obtain an optimized total separated peak number for a particular column set was proposed depending on (1)D and (2)D analyte peak distribution. This study introduces fundamental concepts and establishes approaches to design effective GC × GC or multiple H/C systems for different column combinations, to provide the best overall separation outcomes with the highest separated peak number and/or orthogonality.

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Section: Experimental Sectionmentioning

confidence: 99%

Continuum in MDGC Technology: From Classical Multidimensional to Comprehensive Two-Dimensional Gas Chromatography

et al. 2016

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“…Fuels were subjected to dynamic thermal stressing by circulating through a custom-built thermal stability rig described previously . Briefly, fuels were cycled through a stainless steel, low flow rate, single-pass heat exchanger.…”

Section: Methodsmentioning

confidence: 99%

“…Fuels were subjected to dynamic thermal stressing by circulating through a custom-built thermal stability rig described previously. 22 Briefly, fuels were cycled through a stainless steel, low flow rate, single-pass heat exchanger. A 5 m section of tubing was submerged in a fluidized sand bath that was heated to provide a bulk fuel temperature of 180 °C.…”

Section: ■ Experimental Sectionmentioning

confidence: 99%

Group-Type Analysis of Hydrocarbons and Sulfur Compounds in Thermally Stressed Merox Jet Fuel Samples

et al. 2017

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Methods to investigate the response of hydrocarbons and sulfur compounds to different extents resulting from thermal oxidation of jet fuels refined via the mercaptan oxidation (Merox) process have been developed. Relative comparison of hydrocarbon contents including n-paraffins, isoparaffins, olefins, naphthenes, and aromatics (PIONA) was performed by using comprehensive two-dimensional gas chromatography hyphenated with a quadrupole-accurate mass time-of-flight mass spectrometer (GC × GC–Q-TOFMS). A simple approach for quantification of sulfur compound groups was then developed using both GC × GC and GC hyphenated with flame photometric detection (GC × GC–FPD; GC–FPD). The approach largely separated the sulfur compounds into two distinct regions comprising of lower polarity S1 (thiophenes, thiophenols, thiols, disulfides, sulfides, and alkyl thianaphthenes) and higher polarity S2 (sulfones and phenylsulfides) groups. The reliability of this approach was evaluated using higher resolution GC × GC–FPD, showing less than ±1% error arising from the coelution of minor compounds in GC–FPD analysis. The calibration method was further applied to reduce the error caused by the dependence of analyte contents on the sample dilution effect from ±14% to ±4%. The GC–FPD analysis showed a significant increase in S2 content from 47 to 59% after 113 min oxidation. This approach was then applied for characterization of 15 practical jet fuel samples from airforce bases.

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“…The model fuel used was as that of Webster et al [22] and was made up of the following components; a. 50 mL methyl cyclohexane.…”

Section: Model Fuelmentioning

confidence: 99%

Re-addition of antioxidant to aged MEROX and hydroprocessed jet fuels

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Stansfield

Webster

et al. 2015

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Oxidation of Neat Synthetic Paraffinic Kerosene Fuel and Fuel Surrogates: Quantitation of Dihydrofuranones

Cited by 10 publications

References 31 publications

Continuum in MDGC Technology: From Classical Multidimensional to Comprehensive Two-Dimensional Gas Chromatography

Continuum in MDGC Technology: From Classical Multidimensional to Comprehensive Two-Dimensional Gas Chromatography

Group-Type Analysis of Hydrocarbons and Sulfur Compounds in Thermally Stressed Merox Jet Fuel Samples

Re-addition of antioxidant to aged MEROX and hydroprocessed jet fuels

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