Theoretical study of the structure and properties of Ni/V porphyrins under microwave electric field: A DFT study

Li, Yuting; Shang, Hui; Zhang, Qi; Elabyouki, Mostafa; Zhang, Wenhui

doi:10.1016/j.fuel.2020.118305

Cited by 20 publications

(15 citation statements)

References 56 publications

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“…The inclusion of electric field irradiation during chemical treatments reduces the HOMO-LUMO gap of metalloporphyrins, which may facilitate metal removal. 152 Another concern is the possibility that porphyrins poison catalysts. Due to its closed shell character, the interaction between nickel porphyrins and the catalyst is expected to be weak unless the system is promoted in low-lying excited states.…”

Section: ■ Reactivity Of Porphyrinsmentioning

confidence: 99%

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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Section: ■ Reactivity Of Porphyrinsmentioning

confidence: 99%

Advances and Challenges in the Molecular Characterization of Petroporphyrins

et al. 2021

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“…The total intrinsic metallic content was determined through ICP-MS analysis [26]. This required first ashing the crude oil sample for 12 h at 823 K. Therefore, the output was digested using a mixture of concentrated nitric acid (75% wt/v): hydrogen peroxide (30% v/v): concentrated hydrochloric acid (36% wt/v) 4:1:1 v/v/v for 24 h. Subsequently, the solution derived was diluted with distilled water before subjecting to the ICP-MS measurement for the quantification of 51 V and 60 Ni. This assessment procedure was analyzed for precision and the results showed similarity with the electron paramagnetic resonance method because measurements were based on the metal elements.…”

Section: ■ Detection and Quantification Of Metallic Porphyrins In Crude Oilsmentioning

confidence: 99%

“…Shang et al [59] reported a shorter removal time for vanadium-and nickelporphyrins by 85 and 83%, respectively, while using a sulfonyl acid chemical in a microwave electric field set at 600 Watts for 3 min. The high removal percentage was attributed to the porphyrin framework deformation observed during microwave irradiation, and further facilitates the demetallization reaction [60].…”

Section: ■ Removal Of Metallic Porphyrins From Crude Oilsmentioning

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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“…The limit value of viscosity indicated in the table is set for the entire array of the analyzed sources. In fact, the minimum value of oil viscosity exposed to microwave heating in the presence of catalysts is reported in the works of Taheri et al [32]. It has been shown that nanodispersed catalysts can perform two functions: On one hand, efficiently absorb a microwave field with the generation of thermal energy and on another one provides chemical conversion of heavy hydrocarbons molecules.…”

Section: Introductionmentioning

confidence: 96%

“…The addition of a catalyst leads to the formation of hydrogen sulfide which can be further utilized for absorbing the microwave field. However, there are several works which demonstrated that the greatest ability to absorb microwave field is characterized by asphaltenes [31,32]. Taken together, the functioning of the catalysts and the effect of microwave radiation provide deep conversion of resins and asphaltenes, a decrease in the produced oil viscosity, and an increase in oil recovery factor.…”

Section: Introductionmentioning

confidence: 99%

Microwave Radiation Impact on Heavy Oil Upgrading from Carbonate Deposits in the Presence of Nano-Sized Magnetite

et al. 2021

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The present paper reports experiments on microwave heating of a carbonate oil-containing rock sample in the presence and absence of an iron-magnetite-based nanocatalyst. It has been shown that the used catalyst improves the processes of destructive hydrogenation of resins and asphaltenes compounds in the oil. The chemical reactions analysis demonstrated a decrease in asphaltenes content and in their molecular weight, which increases the filtration capacity of the oil fluid in the reservoir rock porous medium. Moreover, the content of non-extractable organic matter in the rock sample after experiments and after oil extraction was determined. It has been found that the absence of the catalyst causes the least increase in the content of non-extractable organic matter in the rock. This fact is related to the intensive processes of resinous-asphaltene compounds destruction especially at the level of peripheral groups which are the most condensed fraction, and hence leads to a decrease in their solubility in the organic medium and eases their adsorption on the mineral skeleton surface.

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Theoretical study of the structure and properties of Ni/V porphyrins under microwave electric field: A DFT study

Cited by 20 publications

References 56 publications

Advances and Challenges in the Molecular Characterization of Petroporphyrins

Advances and Challenges in the Molecular Characterization of Petroporphyrins

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

Microwave Radiation Impact on Heavy Oil Upgrading from Carbonate Deposits in the Presence of Nano-Sized Magnetite

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