A comprehensive study on mechanism of formation and techniques to diagnose asphaltene structure; molecular and aggregates: a review

Hosseini-Dastgerdi, Zeinab; Tabatabaei-Nejad, Seyyed Alireza; Khodapanah, Elnaz; Sahraei, Eghbal

doi:10.1002/apj.1836

Cited by 63 publications

(68 citation statements)

References 129 publications

(262 reference statements)

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“…The current experimental knowledge on bitumen molecular structure is usually summarized in the Yen-Mullins model, [16][17][18] which introduces nanoaggregates and clusters. Nanoaggregates are typically composed of less than 10 asphaltene molecules aligned due to π-stacking interactions.…”

Section: Introductionmentioning

confidence: 99%

Simple Statistical Model for Branched Aggregates: Application to Cooee Bitumen

Lemarchand

Hansen

2015

J. Phys. Chem. B

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We propose a statistical model that can reproduce the size distribution of any branched aggregate, including amylopectin, dendrimers, molecular clusters of monoalcohols, and asphaltene nanoaggregates. It is based on the conditional probability for one molecule to form a new bond with a molecule, given that it already has bonds with others. The model is applied here to asphaltene nanoaggregates observed in molecular dynamics simulations of Cooee bitumen. The variation with temperature of the probabilities deduced from this model is discussed in terms of statistical mechanics arguments. The relevance of the statistical model in the case of asphaltene nanoaggregates is checked by comparing the predicted value of the probability for one molecule to have exactly i bonds with the same probability directly measured in the molecular dynamics simulations. The agreement is satisfactory.

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Section: Introductionmentioning

confidence: 99%

Simple Statistical Model for Branched Aggregates: Application to Cooee Bitumen

Lemarchand

Hansen

2015

J. Phys. Chem. B

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“…We performed principal component analysis (PCA) 69,70 to assess the combined impact of the above variables on asphaltene nanoaggregation. The variables used in PCA are ∆ CNR, ∆ v, R 2 p and percentage of FAME C [11][12][13][14][15][16][17][18] and FAME C ≥19 out of fatty acid methyl ester products. It is uncertain whether the longer DFAME compounds are PAH linkages as there is no evidence in the literature that inter-aromatic bridges can be over seven carbons long 15,16 .…”

Section: Discussionmentioning

confidence: 99%

“…Abundance of FAME and DFAME compounds in RICO products. Entries % FAME C [11][12][13][14][15][16][17][18] and % FAME C ≥19 refers to percentage of medium-and long-chain compounds out of total FAME products. 0.00075 1.519 g/L NA 0.8018 0.8379 NA C 12 TAB/C 14 TAB 1/1 molar 0.00077 2.076 g/L 28.999 g/L 0.7386 0.9823 0.9839 C 12 TAB/C 14 TAB 2/1 molar 0.00049 2.973 g/L 18.710 g/L 0.9365 0.9988 0.9844 Table 3.…”

Section: Discussionmentioning

confidence: 99%

“…S4 online) illustrate left-skewed distributions with a mild even-odd predominance of medium molecular weight compounds. We calculated the ratio of even-odd medium molecular-weight n-alkanoic acids (C 12-18 to C [11][12][13][14][15][16][17] ) as an indicator of biological activity 66 (Table 2), which was 1.711 and 1.33 for E1 and E2 respectively. Note that the high C 16 and C 18 peaks also drive the even-odd predominance of E1 which is highest out of the four samples.…”

Section: Rico Of Asphaltenesmentioning

confidence: 99%

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Determination of Asphaltene Critical Nanoaggregate Concentration Region Using Ultrasound Velocity Measurements

Svalova

Parker

Povey

et al. 2017

Sci Rep

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Asphaltenes constitute the heaviest, most polar and aromatic fraction of petroleum crucial to the formation of highly-stable water-in-crude oil emulsions. The latter occur during crude oil production as well as spills and cause difficulties to efficient remediation practice. It is thought that in nanoaggregate form, asphaltenes create elastic layers around water droplets enhancing stability of the emulsion matrix. Ultrasonic characterisation is a high-resolution non-invasive tool in colloidal analysis shown to successfully identify asphaltene nanoaggregation in toluene. The high sensitivity of acoustic velocity to molecular rearrangements and ease in implementation renders it an attractive method to study asphaltene phase properties. Currently, aggregation is thought to correspond to an intersection of two concentration-ultrasonic velocity regressions. Our measurements indicate a variation in the proximity of nanoaggregation which is not accounted for by present models. We attribute this uncertainty to physico-chemical heterogeneity of the asphaltene fraction driven by variation in molecular size and propose a critical nanoaggregation region. We treated asphaltenes from North and South American crude oils with ruthenium ion catalysed oxidation to characterize their n-alkyl appendages attached to aromatic cores. Principal component analysis was performed to investigate the coupling between asphaltene structures and velocity measurements and their impact on aggregation.

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“…Tremendous strides have been made in asphaltene science; the most influential work is the Yen model or modified Yen model proposed by Teh Fu Yen, Mullins, and their coworkers [3,4]. This model, mainly obtained from Xray diffraction and mass spectrometer analysis, is used to account for asphaltene characteristics and establish structurefunction relationships and causality therein.…”

Section: Introductionmentioning

confidence: 99%

Structural Characterisation of Asphaltenes during Residue Hydrotreatment with Light Cycle Oil as an Additive

Liu

2015

Journal of Chemistry

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Several atmospheric residues (AR) of Kuwaiti crude, in the absence, or in the presence, of light cycle oil (LCO) as an aromatic additive, were hydrotreated in an experimental plant. Asphaltenes (precipitated from Kuwaiti AR, a hydrotreated AR, and a hydrotreated blend of AR and LCO) were characterised by chemical structure and changes during residue hydrotreatment. The average structural parameters of these asphaltenes, obtained from a combined method of element analysis, average molecular weight, X-ray diffraction, and NMR, demonstrate that, after hydrotreatment, the aromatic cores of the asphaltenes become more compact and smaller whereas the peripheral alkyl branches are decreased in number and shortened. The influence of LCO on residue hydrotreating is also studied in terms of structural changes in the asphaltenes. The findings imply that LCO added to AR during hydrotreating improves the degree of aromatic substitution, the total hydrogen/carbon atomic ratio per average molecule, the distance between aromatic sheets and aliphatic chains, and so forth, by modifying the colloidal nature and microstructure of asphaltene: this is beneficial for the further hydroprocessing of AR. Three hypothetical average molecules are proposed to represent the changes undergone by such asphaltenes during hydrotreatment as well as the effects of additive LCO.

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A comprehensive study on mechanism of formation and techniques to diagnose asphaltene structure; molecular and aggregates: a review

Cited by 63 publications

References 129 publications

Simple Statistical Model for Branched Aggregates: Application to Cooee Bitumen

Simple Statistical Model for Branched Aggregates: Application to Cooee Bitumen

Determination of Asphaltene Critical Nanoaggregate Concentration Region Using Ultrasound Velocity Measurements

Structural Characterisation of Asphaltenes during Residue Hydrotreatment with Light Cycle Oil as an Additive

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