Redox activity of nickel and vanadium porphyrins: a possible mechanism behind petroleum genesis and maturation?

Munoz, G.; Gunessee, B. K.; Bégué, Didier; Bouyssière, Brice; Baraille, Isabelle; Vallverdu, Germain Salvato; Silva, Hugo Santos

doi:10.1039/c9ra01104h

Cited by 16 publications

(9 citation statements)

References 43 publications

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“…These results were in good agreement with experimental evidence [205]. Other methodologies were implemented to investigate the aggregation behavior of asphaltene molecules such as density functional theory (DFT) [206]. From the screening of various model compounds it was concluded from molecular dynamics simulations or DFT calculations that hydrogen bonding is as much important as π-π stacking interactions to drive the asphaltene aggregation [207].…”

Section: Methods On Asphaltene Aggregatessupporting

confidence: 73%

Fractionation and Characterization of Petroleum Asphaltene: Focus on Metalopetroleomics

et al. 2020

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Asphaltenes, as the heaviest and most polar fraction of petroleum, have been characterized by various analytical techniques. A variety of fractionation methods have been carried out to separate asphaltenes into multiple subfractions for further investigation, and some of them have important reference significance. The goal of the current review article is to offer insight into the multitudinous analytical techniques and fractionation methods of asphaltene analysis, following an introduction with regard to the morphologies of metals and heteroatoms in asphaltenes, as well their functions on asphaltene aggregation. Learned lessons and suggestions on possible future work conclude the present review article.

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Section: Methods On Asphaltene Aggregatessupporting

confidence: 73%

Fractionation and Characterization of Petroleum Asphaltene: Focus on Metalopetroleomics

et al. 2020

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“…Moreover, depending on the oxidation degrees of the metal, metal−organic compounds are generally open-shell systems which may present electronic states of different spin multiplicity in a short energy range. In that scope, vanadyl porphyrins are radicals, and accurate descriptions of the electronic structure of these compounds need to implement multireferences methodologies 129 which are among the heaviest quantum chemistry calculations in terms of computational effort. For example, Figure 7 shows the molecular orbitals of a vanadyl porphyrins.…”

Section: ■ Purification Of Metalloporphyrinsmentioning

confidence: 99%

“…(c) HOMO and (d) HOMO-2 molecular orbitals. Reproduced from ref : Munoz, G.; Gunessee, B. K.; Bégué, D.; Bouyssiere, B.; Baraille, I.; Vallverdu, G.; Santos Silva, H. Redox activity of nickel and vanadium porphyrins: A possible mechanism behind petroleum genesis and maturation? RSC Adv .…”

Section: Molecular Simulations and Computational Approachesmentioning

confidence: 99%

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Advances and Challenges in the Molecular Characterization of Petroporphyrins

et al. 2021

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Petroporphyrins, geoporphyrins, or metalloporphyrins are the original petroleum biomarkers, identified by Alfred Treibs more than a century ago and the first molecular evidence for the biogenic origins of petroleum. Since discovery, analytical strategies have been developed to identify porphyrins in petroleum and its fractions. This review focuses on the advances enabled by ultrahigh resolving power Fourier transform ion cyclotron resonance mass spectrometry in tribute to Professor Alan G. Marshall.

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“…Crude oil is generally defined as a fuel liquid produced through long-time geological activities involving high temperature and pressure in oil reservoirs associated with sedimentary rocks and situated beneath earth's surface piles [6]. This natural resource comprises light and heavy hydrocarbon fractions with other impurities, including oxygenated-, nitrogenated-, and sulphated-compounds, alongside trace metals [7]. The respective compound composition varies appreciably across the reservoirs, and crude oil also contains paraffin (alkanes), naphthenes (cycloalkanes), as well as aromatic compounds [8].…”

Section: ■ Introductionmentioning

confidence: 99%

The Origin, Physicochemical Properties, and Removal Technology of Metallic Porphyrins from Crude Oils

et al. 2021

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Crude oil is an indispensable energy feedstock for daily activities, although some amounts of metallic porphyrins components with undesired characteristics have been identified. These constituents are assumed to originate from the geochemical process of chlorophyll and heme derivatives. In addition, their chemical structures have been thoroughly characterized using spectroscopy techniques, while several analytical methods were adopted in the detection and concentration quantification in the crude oils. The metallic porphyrins have several demerits, including the deactivation of used catalysts, contamination of the treated petrochemical products, and corrosion of the industrial equipment. Also, the removal process is considered challenging due to the strong interaction with the asphaltene fraction of crude oil. This review article, therefore, provides brief information on the origin, physicochemical properties, and possible removal technology of metallic porphyrins from crude oil samples. Besides, a better understanding of chemistry contributes a useful insight towards the development and establishment of better futuristic processing technology.

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Redox activity of nickel and vanadium porphyrins: a possible mechanism behind petroleum genesis and maturation?

Abstract: The presence of metalloporphyrins in crude oil has been known for many years.

Cited by 16 publications

References 43 publications

Fractionation and Characterization of Petroleum Asphaltene: Focus on Metalopetroleomics

Fractionation and Characterization of Petroleum Asphaltene: Focus on Metalopetroleomics

Advances and Challenges in the Molecular Characterization of Petroporphyrins

The Origin, Physicochemical Properties, and Removal Technology of Metallic Porphyrins from Crude Oils

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