Hydrocarbon Compound Type Analysis by Mass Spectrometry:  On the Replacement of the All-Glass Heated Inlet System with a Gas Chromatograph

and, Stilianos G. Roussis; Fitzgerald, W. Pat

doi:10.1021/ef000225v

Cited by 12 publications

(8 citation statements)

References 37 publications

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“…For further validation of the results of HC33 analysis, SARA analysis has been carried out for 17 samples in the boiling range of 300−600 °C according to the IP 469/01 test method. 19 The saturate content obtained from TLC−FID was compared to the saturate content obtained by HC33 and HC22 analyses. The results are shown in Table 5.…”

Section: Comparison Of Total S Aromatic Estimation By Hc33 and Total ...mentioning

confidence: 99%

“…Chemometric analysis has been applied for correlation of ultraviolet (UV) spectra of middle distillates and vacuum gas oils (VGOs) with HR-MS-based hydrocarbon-type analysis by Baldrich Ferrer and Novoa Mantilla . In the recent years, identification and characterization of aromatics and heteroaromatics in petroleum distillates has been reported using Fourier transform infrared spectroscopy/mass spectrometry (FTIR/MS) at very high resolution. − Roussis and Fitzgerald have developed a HR-MS method for exhaustive determination of hydrocarbon compound types by sequential comparison of the theoretical masses of compounds using low electronvolts and chemical ionization using benzene and carbon disulfide as reagent compounds for charge exchange. This method gives information on elemental analysis, compound class analysis, z -series distributions for each compound class, and molecular weight distribution in z series.…”

Section: Introductionmentioning

confidence: 99%

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Molecular-Level Characterization of Refinery Streams by High-Resolution Mass Spectrometry

et al. 2015

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Compositional changes of hydrocarbon fractions affect the physical properties and performance for a specific application. Various techniques, such as liquid chromatography and nuclear magnetic resonance spectroscopy, are normally used for determination of hydrocarbon analysis in petroleum fractions. These techniques provide limited information regarding the hydrocarbon classes. Mass spectrometry offers a unique advantage over these techniques by providing detailed information on hydrocarbon classes present in samples. Commonly used methods in mass spectrometry provide 19, 22, and 33 classes of hydrocarbons in petroleum fractions. These methods are useful in understanding relative changes in composition in the samples during further processing in refineries. The major problem with these methods is validation of results, which poses a challenge to researchers. In the present study, a high-resolution mass spectrometry (HR-MS) technique has been optimized to characterize the petroleum fractions in terms of 33 hydrocarbon classes (HC33), comprising 5 classes of saturates, 13 classes of aromatics, and 15 classes of sulfur aromatics, for detailed hydrocarbon-type analysis. About 40 samples covering a wide range of petroleum streams, such as light cycle oil (LCO), clarified light oil (CLO), and vacuum gas oil (VGO), in the boiling range of 170–650 °C have been analyzed for 33 classes of hydrocarbons. To validate the results, a correlation of sulfur compounds by HC33 with the total sulfur content as determined by wavelength-dispersive X-ray fluorescence (WDXRF) has been carried out. The saturate content was determined using saturates, aromatics, resins, and asphaltenes (SARA) by thin-layer chromatography–flame ionization detection (TLC–FID) and compared to that obtained by HC33 for the samples. Results obtained from HC22 and HC33 methods were also correlated through analysis of variance for saturate, aromatic, and sulfur aromatic classes. The observed F value for the groups is less than F critical, indicating there is no significant difference between the two methods. Further, on the basis of mass spectrometry analysis, a case study on the importance of detailed hydrocarbon-type analysis (33 classes) for problem solving in VGO hydroprocessing has been reported.

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Section: Comparison Of Total S Aromatic Estimation By Hc33 and Total ...mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular-Level Characterization of Refinery Streams by High-Resolution Mass Spectrometry

et al. 2015

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“…It has been proposed that diesel fuels may contain more than 100,000 distinct chemical components . Many different analytical techniques have been employed in such studies, but gas chromatography (GC) − and high-performance liquid chromatography (HPLC) − have been the most prominent. Although advances in instrumentation, particularly comprehensive gas chromatography (GCxGC), ,,− and high-resolution mass spectrometry (HRMS) ,− have drastically increased the throughput and resolving power of such analyses, the resulting large, complex data sets have shifted the burden to data analysis.…”

Section: Introductionmentioning

confidence: 99%

Automated Method for Determining Hydrocarbon Distributions in Mobility Fuels

et al. 2011

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The analysis of hydrocarbon profiles in complex fuel samples has been a daunting task for fuel scientists for decades. Although many studies of specific compound classes on a limited number of fuel samples have been published, a large-scale survey of many samples has been lacking. The complexity and extensive manpower requirements have inhibited comprehensive, wide-scoped studies. Presented here is a novel, automated chemical component classification scheme which is based on a set of selection rules that operate on either the molecular formula or chemical name from a previously generated “hit list.” The method is validated against synthetically generated data and a PIANO blend standard. Average jet and diesel fuel profiles are presented.

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“…Recently, research on the use of gas chromatography–quadrupole mass selective detector (GC-MSD) techniques revealed that the hydrocarbon compound type analysis results were very similar to those of AGHIS-MSD . GC is a quite common instrument for analyzing organic compound mixtures including lots of petroleum distillates.…”

Section: Introductionmentioning

confidence: 99%

Hydrocarbon Compound Type Analysis of Lube Base Oil by GC-MSD: Advantages on Replacement of the AGHIS Magnetic Sector Type Mass Spectrometer

No¹,

Kim²,

Lee³

et al. 2007

Energy Fuels

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Hydrocarbon compound type analysis by mass spectrometry is a very powerful tool for researchers to develop a petroleum process. A magnetic sector type mass spectrometer with all-glass heated inlet system (AGHIS) has been used for hydrocarbon type analysis since the 1960s. However, the magnetic sector mass spectrometer with AGHIS is already out of date and has difficulties in instrument maintenance. A gas chromatograph equipped with a mass selective detector (GC-MSD) is a very common and more convenient instrument for compound analysis of hydrocarbon mixtures. In this work, we have examined the replacement of the old analysis system with GC-MSD for lube base oil, unconverted oil (UCO) from a hydrocracking process. Indeed, hydrocarbon compound type analysis results of GC-MSD showed a good correlation with those of AGHIS magnetic sector type mass spectrometer as well as better reproducibility. Hydrocarbon compound type distributions were derived from fractions of the total ion chromatogram (TIC) because the GC elutes hydrocarbon mixtures in the order of boiling temperatures. The hydrocarbon compound type distributions of vacuum-distilled fractions of an UCO stock were compared with those deduced from the TIC fractions of the origin UCO sample. The comparison was also illustrated as the R 2 of 0.998. Therefore, GC-MSD is a very efficient and economic instrument for the hydrocarbon compound type analysis and can replace AGHIS magnetic sector type mass spectrometer.

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Hydrocarbon Compound Type Analysis by Mass Spectrometry: On the Replacement of the All-Glass Heated Inlet System with a Gas Chromatograph

Cited by 12 publications

References 37 publications

Molecular-Level Characterization of Refinery Streams by High-Resolution Mass Spectrometry

Molecular-Level Characterization of Refinery Streams by High-Resolution Mass Spectrometry

Automated Method for Determining Hydrocarbon Distributions in Mobility Fuels

Hydrocarbon Compound Type Analysis of Lube Base Oil by GC-MSD: Advantages on Replacement of the AGHIS Magnetic Sector Type Mass Spectrometer

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