Application of Spectroscopic Techniques to the Structural Analysis of Petroleum

Speight, James G.

doi:10.1080/05704929408000561

Cited by 20 publications

(18 citation statements)

References 79 publications

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“…For this reason, the study of asphaltene molecular structures is of great practical interest. However, the asphaltene fraction contains at least 10 5 different molecules which makes the isolation and even the identification of individual components impossible . As a consequence of their extraordinary complexity, the chemical characterization of asphaltenes and other heavy fractions is based on the identification of molecular types and structural groups.…”

Section: Introductionmentioning

confidence: 99%

Density Estimation of Asphaltenes Using Molecular Dynamics Simulations

2003

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Molecular dynamics simulations are carried out to estimate the density of average structures representative of various asphaltenes in an effort to evaluate the predictive capacities of this kind of structural models. Comparison between calculated and experimental values reveals that calculated densities are lower than experimental ones, but nevertheless calculated values show the correct tendency. This indicates that the chemical information provided by the average structures of asphaltenes is essentially correct and can be used to qualitatively estimate densities. On the basis of these results, the effect of different structural factors on calculated densities of asphaltenes was systematically studied. Large condensed aromatic rings and low hydrogen-tocarbon ratio are the main characteristics of the molecules which yield the highest densities. Also, it was found that a group-contribution method recently developed yields better density values than molecular dynamics simulations, although still lower than experimental values.

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Section: Introductionmentioning

confidence: 99%

Density Estimation of Asphaltenes Using Molecular Dynamics Simulations

2003

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“…It has also been applied for aromatic group type analysis, using an average absorption coefficient determined for each group of components (Burdett et al, 1954). The method is based on the fact that every type of nonsaturated component exhibits a unique UV absorption spectrum (Speight, 1994). The presence of substitutes in the aromatic molecules has a limited effect on their spectrum.…”

Section: Introductionmentioning

confidence: 99%

Rapid Quantitative Determination of Aromatic Groups in Lubricant Oils Using Gel Permeation Chromatography

Varotsis

Pasadakis

1997

Ind. Eng. Chem. Res.

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An analytical procedure has been developed which enables rapid quantitative determination of the total aromatic components in the petroleum fraction, used in the production of lubricating motor oils. The method utilizes the ultraviolet-diode array (UV-DAD) and refractive index detector (RI) signals derived from a gel permeation ghromatography analysis (GPC). It provides information about the concentrations of the aromatic compound groups (mono-, di-, tri-, thioaromatics) based on the differences in their absorbances in the ultraviolet (UV) spectrum. The method can be also applied for the determination of the distribution of these groups along the molecular weight range.

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“…The original studies on the application of IR spectroscopy published more than 20 years ago have unambiguously demonstrated the correlation of chemical composition of asphaltenes with the oil origin [28][29][30][31][32][33]. Prof. S. Kazarian [34] was the first to use FTIR spectroscopy with matrix detection under the attenuated total reflection (ATR) conditions to investigate the asphaltenes aggregation.…”

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confidence: 99%

Chemical Heterogeneity of Deposits Formed in the Flocculant Flow From Crude Oil, According to FTIR Microscopy and Chemical Imaging

et al. 2021

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Asphaltene-containing deposits formed on the CaF2 window induced by n-heptane flow in a microfluidic device have been investigated using an IR microscope and an imaging macro chamber (IMAC) with FPA detection. This is the first example of the ex situ infrared imaging of the deposits from crude oil formed under dynamic conditions of flocculant flow. It has been shown that fast aggregation of asphaltenes in n-heptane flow leads to the formation of deposit rich in heteroatom-containing functional groups: (О–Н, N–H, C=O, C–O, and S=O).

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Application of Spectroscopic Techniques to the Structural Analysis of Petroleum

Cited by 20 publications

References 79 publications

Density Estimation of Asphaltenes Using Molecular Dynamics Simulations

Density Estimation of Asphaltenes Using Molecular Dynamics Simulations

Rapid Quantitative Determination of Aromatic Groups in Lubricant Oils Using Gel Permeation Chromatography

Chemical Heterogeneity of Deposits Formed in the Flocculant Flow From Crude Oil, According to FTIR Microscopy and Chemical Imaging

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