DFT – Modeling of the Reaction of a Polysulfur Extreme-Pressure Lubricant Additive on Iron Surface

Monasse, Bernard; Montmitonnet, Pierre

doi:10.1007/s12289-008-0169-y

Cited by 3 publications

(2 citation statements)

References 6 publications

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“…To investigate the impact of B→N coordination on the electronic structures of the lubricant additives, the density functional theory calculations were carried out using a suite of Gaussian 16 programs [37][38][39]. Since the hydrolytic process of borate ester has little relationship with the structure of tung oil and methoxy polyethylene glycol.…”

Section: Evaluation Of Hydrolytic Stabilitymentioning

confidence: 99%

Insight into Hydrolytic Stability and Tribological Properties of B-N Coordination Tung Oil-Based Lubricant Additive in Water

Yao¹,

Ding²,

Li³

et al. 2023

Journal of Renewable Materials

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A tung oil-based boron-nitrogen coordination polymer (TWE-BN) was specially designed and synthesized as a highly efficient water-based lubricant additive, which has been beneficial to both energy conservation and conducive to environmental protection. Its hydrolysis stability and tribological properties in water were investigated. To better research the lubricating properties, and thus to understand the interaction between the surface and the lubricating additives. Herein, both experimental and theoretical computations based on density functional theory (DFT) were performed. The addition of TWE-BN reduces the water friction coefficient and wear scar diameter, and the maximum non-seizure load increased from 93 to 726 N. Moreover, the anti-corrosion ability on copper was classified as 1b level. The stainless-steel surface was analyzed using scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). In hydrolytic stability testing, TWE-BN was better than nitrogen-free tung oil-based lubricant additive (TWE-B) and remained non-hydrolyzed for at least 15 days, implying the feasibility of tung oil-based boron-nitrogen coordination as highly effective and hydrolytic stability lubricant additives.

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Section: Evaluation Of Hydrolytic Stabilitymentioning

confidence: 99%

Insight into Hydrolytic Stability and Tribological Properties of B-N Coordination Tung Oil-Based Lubricant Additive in Water

Yao¹,

Ding²,

Li³

et al. 2023

Journal of Renewable Materials

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“…Recently, the structures of tribofilms—formed by chemical reactions between steel and sulfur‐containing EP additives—have been extensively investigated 3,19–28 . Sulfur‐containing EP additives react with the steel surface to form inorganic tribofilms such as iron sulfide, which exhibits a relatively low shearing strength to prevent scuffing.…”

Section: Introductionmentioning

confidence: 99%

Structural characterisation of iron sulfide tribofilms formed on carbon and stainless steels

Miyajima

Yonemura

Kitamura

et al. 2023

Lubrication Science

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This study investigated tribofilm layers formed under boundary lubrication using a polysulfide additive on S45C and SUS304 steel surfaces. In the tribotests, the friction coefficient of the SUS304 disc fluctuated and increased more gradually in comparison to that of the S45C disc. The tribofilm on the S45C disc comprised the outermost and inner layers of FeS2 (pyrite) and FeS (troilite), respectively. Notably, all the tribofilm layers on the SUS304 disc surface contained pyrite. The tribofilm on the SUS304 disc was weakly crystalline in the outermost layer and thinner than that on the S45C disc. The poor formation of the tribofilm on the SUS304 disc was potentially caused by the unstable friction coefficient and scuffing.

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Theoretical modeling of friction and wear processes at atomic level

Migal

2015

Anti-Abrasive Nanocoatings

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DFT – Modeling of the Reaction of a Polysulfur Extreme-Pressure Lubricant Additive on Iron Surface

Cited by 3 publications

References 6 publications

Insight into Hydrolytic Stability and Tribological Properties of B-N Coordination Tung Oil-Based Lubricant Additive in Water

Insight into Hydrolytic Stability and Tribological Properties of B-N Coordination Tung Oil-Based Lubricant Additive in Water

Structural characterisation of iron sulfide tribofilms formed on carbon and stainless steels

Theoretical modeling of friction and wear processes at atomic level

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