A molecular mechanics and molecular dynamics study of the structural organization of Cu(II), Ni(II), Co(II), and Fe(II) stearates as potential catalysts for in situ upgrading of heavy oil

Kadkin, Oleg N.; Mikhailova, A. N.; Khafizov, Nail R.; Yuan, Chengdong; Varfolomeev, Mikhail A.

doi:10.1016/j.fuel.2021.123056

Cited by 8 publications

(4 citation statements)

References 20 publications

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“…Catalytic aquathermolysis promoted a significant increase in saturated hydrocarbons (up to ∼75% relative to the heavy crude oil), probably due to the conversion of asphaltenes (>30%). The authors ,,,,,− , referred to the cleavage of heteroatomic bonds (such as C–S) of large molecules of resins and asphaltenes, resulting in their conversion into smaller molecular fragments.…”

Section: Resultsmentioning

confidence: 99%

“…The efficacy of aquathermolysis in altering the properties of crude oil varies significantly with the choice and type of used catalytic systems. − During in situ catalytic upgrading, a precursor to the catalyst is introduced directly into the oil reservoir to facilitate the in situ upgrading process. This precursor undergoes modifications under reservoir conditions, transforming into an active form of the injected catalysts. , The active phase typically formed depending on the metals used (such as transition based: Mo, Co, Ni, V, and Fe) and their compounds.…”

Section: Introductionmentioning

confidence: 99%

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Synthesis and Application of a Ni-Based Dispersed Catalyst for Hydrothermal Upgrading of Heavy Crude Oil

Khamieva,

Al-Muntaser,

Suwaid

et al. 2024

Energy Fuels

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In this work, the catalytic performance of a synthesized dispersed Ni-based catalyst [amorphous catalytic system of Ni(NO 3 )(OH)] in the hydrothermal upgrading of high-sulfur Cuban extra-heavy oil at temperatures of 200 and 300 °C for a duration of 24 h was evaluated. The synthesized Ni-catalyst predominantly exhibits an amorphous structure, which is primarily attributed to nickel hydroxonitrate (Ni(OH)(NO 3 )), as verified through X-ray diffraction and thermogravimetric Fourier transform infrared analyses. The results show that the presence of the synthesized catalyst in the upgrading system improves the physical and chemical properties of the upgraded oil samples compared to non-catalytic aquathermolysis results. The application of the Ni-based catalyst resulted in a reduction of sulfur content by 9.0−17.4%, a decrease in viscosity by 11.4−11.7%, and a lowering of the heavy oil fraction by 6.8−8.3%. Additionally, there was an increment in the production of gases by 0.2−0.3% and an increase in the fraction of hydrocarbons with a carbon number of less than < C 20 by 5.4−8.2%. The best upgrading performance was observed during catalytic aquathermolysis at 300 °C. Overall, the findings underscore the synthesized Ni-based catalyst's potential to significantly enhance the in situ hydrothermal upgrading process of extra-heavy crude oil, offering a promising approach for the treatment of such challenging feedstocks.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Synthesis and Application of a Ni-Based Dispersed Catalyst for Hydrothermal Upgrading of Heavy Crude Oil

Khamieva,

Al-Muntaser,

Suwaid

et al. 2024

Energy Fuels

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“…[18][19][20][21] Transition metal salts of fatty acids are widely used as catalysts in various industrial applications, in the photoinitiated living cationic polymerization of vinyl ethers and polymerization reactions of other monomers. [22][23][24][25][26] These fatty acid salts can also find widespread application in many different organic transformations. [27,28] It has been stated that the PyBidine-Ni(OAc) 2 complex can play an important role in promoting asymmetric iodolactonization reactions when combined with a catalytic amount of iodine.…”

Section: Introductionmentioning

confidence: 99%

“…Transition metal salts of fatty acids are widely used as catalysts in various industrial applications, in the photoinitiated living cationic polymerization of vinyl ethers and polymerization reactions of other monomers [22–26] . These fatty acid salts can also find widespread application in many different organic transformations [27,28] .…”

Section: Introductionmentioning

confidence: 99%

An Efficient Ni(II) Laurate Promoted Heterocyclization of Symmetrical Thioureas with Maleic Anhydride and Mechanistic Approach toward Higher Substituted Thiazolidine‐4‐one‐5‐acetic Acids

Yıldırım

Öztürk

2022

ChemistrySelect

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For the first time, readily available Ni(II) laurate catalyzed thia‐Michael addition of symmetrical N,N‐disubstituted thioureas to maleic anhydride and subsequent cyclization in toluene afforded novel thiazolidine‐4‐one‐5‐acetic acids with good yields in a short reaction time. The efficiency and low cost of the renewable, eco‐friendly laurate based homogenous Lewis acid catalyst and the fact that cyclization proceeds in a much shorter time means that this synthetic method is interesting from a green chemistry point of view. The catalyst can be reused for many times without any significant loss of activity.

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Characteristics and competitive mechanisms of polycondensation and cyclization induced by end‐groups in polyamide 6 melt

Chen,

Wang,

Zhou

et al. 2024

Journal of Polymer Science

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Polycondensation and ring‐formation reactions are the main factors that cause instability in the molecular structure of commercial polyamide 6 (PA6) during melting. In this study, the mechanisms and interactions of the ring‐formation and polycondensation reactions induced by various factors were thoroughly investigated. The findings suggest that the average molecular weight of PA6 increased by 20.4% during melting. The total monomer and oligomer content increased by 79.2%, and the ring‐forming reaction was promoted with an increase in temperature. Moreover, a high concentration of the end‐amino in PA6 promoted the ring‐forming reaction, whereas similar concentrations of the end‐amino and end‐carboxyl groups were more conducive to the polycondensation reaction. In short, the nitrogen atoms in the end‐amino group on the PA6 molecular chain attack the carbonyl carbon at different sites, including the carbonyl carbon in the amide bond and the carbonyl carbon in the end‐carboxyl group, which is the key to the strength of the ring‐formation and polycondensation reactions.

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A molecular mechanics and molecular dynamics study of the structural organization of Cu(II), Ni(II), Co(II), and Fe(II) stearates as potential catalysts for in situ upgrading of heavy oil

Cited by 8 publications

References 20 publications

Synthesis and Application of a Ni-Based Dispersed Catalyst for Hydrothermal Upgrading of Heavy Crude Oil

Synthesis and Application of a Ni-Based Dispersed Catalyst for Hydrothermal Upgrading of Heavy Crude Oil

An Efficient Ni(II) Laurate Promoted Heterocyclization of Symmetrical Thioureas with Maleic Anhydride and Mechanistic Approach toward Higher Substituted Thiazolidine‐4‐one‐5‐acetic Acids

Characteristics and competitive mechanisms of polycondensation and cyclization induced by end‐groups in polyamide 6 melt

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