Optimum conditions for crude oil and petroleum product analysis by carbon-13 nuclear magnetic resonance spectrometry

Gillet, Stéphane; Delpuech, Jean‐Jacques; Valentin, Patrice; Escalier, Jean-Claude

doi:10.1021/ac50056a010

Cited by 43 publications

(15 citation statements)

References 11 publications

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“…Snape and Ladner (1979) compiled a survey of 13 C chemical shift in aromatic hydrocarbons in coal-derived materials. Since then a large body of literature on asphaltene molecular parameters using 13 C NMR has been reported (Artok et al, 1999;Begon et al, 2003;Buenrostro-Gonzalez et al, 2001;Calemma et al, 1995;Christopher et al, 1996;Dickinson, 1980;Fergoug and Bouhadda, 2014;Gillet et al, 1980;Korb et al, 2013;Masuda et al, 1996;Michon et al, 1997;Myhr et al, 1990;Netzel, 1987;Ostlund et al, 2004;Rafenomanantsoa et al, 1994;Sanchez-Minero et al, 2013;Sheremata et al, 2004;Storm et al, 1994;Trejo et al, 2007;Yoshida et al, 1980). Likewise, since its introduction in 1988, laser desorption ionisation mass spectrometry has been increasingly used in the study of heavy fractions of petroleum (Karas and Hillenkamp, 1988).…”

Section: Introductionmentioning

confidence: 99%

Characterisation of subfractions of asphaltenes extracted from an oil sand using NMR, DEPT and MALDI-TOF

Zheng

Zhu

Zareie

et al. 2018

Journal of Petroleum Science and Engineering

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This paper reports the findings of an investigation into molecular structures and properties of an oil sand asphaltene sample and its subfractions. The asphaltene sample extracted from Buton Oil Sand (Indonesia) was fractionated stepwise into four subfractions by precipitation in a binary solvent system made from mixtures of dichloromethane/n-heptane with volumetric ratios of 30/70, 20/80 and 10/90, respectively. The average molecular structural parameters, including the average polycyclic aromatic hydrocarbon size, average side chain length and average molecular weight of the oil sand asphaltene sample and its subfractions, were measured and compared, using characterisation data obtained from nuclear magnetic resonance in combination with distortionless enhancement by polarisation transfer. The molecular weight distributions of the asphaltene samples were measured using a matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry. The results indicated that the island molecular architecture was featured in all the asphaltene samples. The average polycyclic aromatic hydrocarbon size was found to be 7 rings for the least soluble subfraction, 6 rings for the other subfractions and the oil sand asphaltenes. The fractionation mechanism was dictated by polarity difference amongst subfractions as a result of relative luxuriance of the aliphatic parts. The use of 13 C NMR, DEPT and MALDI-TOF was shown to provide a useful means for characterisation and estimation of molecular structures of the asphaltenes.

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Section: Introductionmentioning

confidence: 99%

Characterisation of subfractions of asphaltenes extracted from an oil sand using NMR, DEPT and MALDI-TOF

Zheng

Zhu

Zareie

et al. 2018

Journal of Petroleum Science and Engineering

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“…NMR spectroscopic technique has long been used for both qualitative (Gillet et al 1980;Kvalheim et al 1985) and quantitative (Srivastava 1982;Allen 1985;Abu-Dagga and Ruegger 1988;Smirnov et al 1992;Sarpal et al 1998;Bansal et al 2007;Bansal et al 2014;Mirotchnik et al 2001;Young and Galya 1984;Poveda and Molina 2012) studies of petroleum products. The main focus of these studies revolve around understanding the qualitative composition and to quantify average structural parameters such as aromatic and aliphatic content, average chain length for aliphatic moieties, and average number of substituents on the aromatic ring.…”

Section: Introductionmentioning

confidence: 99%

A 1H NMR method for the estimation of hydrogen content for all petroleum products

et al. 2015

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Background: Hydrogen content is an important parameter for all petroleum products, because the performance of the products for specific application depends on the concentration of hydrogen in it. Further, hydrogen content can be used as a measure for quality control during the production process and assess the quality of the products, which is governed by the catalyst used. Therefore, to get the desired petroleum products like MS and HSD, pilot scale evaluation of different catalysts plays an important role in problem solving during troubleshooting in refineries. During evaluation studies the performance of catalyst depends upon the hydrogen consumption and mass balance in any catalytic process. In order to calculate total hydrogen consumption during production of different petroleum products an effort has been made to develop a universal method based on nuclear magnetic resonance (NMR) technique, that allows estimating hydrogen content in all petroleum fractions, ranging from IBP to 530+°C.

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“…However, it was found that the quality of 13 C NMR spectra of heavy fractions of petroleum is notably altered due to Fe(acac) 3 , because it hinders or prevents the shimming in the preparation stage for the acquisition of the spectra . According to the literature (Table ), ,,,,,− it is not customary the use of Fe(acac) 3 for the structural characterization by NMR of coal, petroleum or their derivatives . Paramagnetic relaxation agents are added to the solutions to decrease the time constant for longitudinal relaxation, T 1 , and consequently the experimental time for NMR spectra acquisition, however, there is no consensus about the nature or the concentration of the relaxation agent (Table ).…”

Section: Results and Discussionmentioning

confidence: 99%

Structural Characterization of Unfractionated Asphalts by¹H NMR and¹³C NMR

2016

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An improved methodology for the structural characterization of heavy fractions of petroleum by hydrogen-1 and carbon-13 nuclear magnetic resonance was applied to three fresh and unfractionated asphalts in solution. The results were compared with those generated by two other known characterization methods applied to the same NMR spectra. The comparison revealed inconsistencies in the traditional methods for the structural characterization of this type of materials. The improved methodology can be applied to unfractionated samples, and it provides a more detailed structural characterization of the asphalts than previously obtained. The new method provides a better correlation between physicochemical properties and the chemical structure of the complex mixtures of hydrocarbons.

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Optimum conditions for crude oil and petroleum product analysis by carbon-13 nuclear magnetic resonance spectrometry

Cited by 43 publications

References 11 publications

Characterisation of subfractions of asphaltenes extracted from an oil sand using NMR, DEPT and MALDI-TOF

Characterisation of subfractions of asphaltenes extracted from an oil sand using NMR, DEPT and MALDI-TOF

A 1H NMR method for the estimation of hydrogen content for all petroleum products

Structural Characterization of Unfractionated Asphalts by¹H NMR and¹³C NMR

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Optimum conditions for crude oil and petroleum product analysis by carbon-13 nuclear magnetic resonance spectrometry

Cited by 43 publications

References 11 publications

Characterisation of subfractions of asphaltenes extracted from an oil sand using NMR, DEPT and MALDI-TOF

Characterisation of subfractions of asphaltenes extracted from an oil sand using NMR, DEPT and MALDI-TOF

A 1H NMR method for the estimation of hydrogen content for all petroleum products

Structural Characterization of Unfractionated Asphalts by1H NMR and13C NMR

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Structural Characterization of Unfractionated Asphalts by¹H NMR and¹³C NMR