Advances in Molecular Rheology and Tribology

A special issue of Lubricants (ISSN 2075-4442).

Deadline for manuscript submissions: closed (30 November 2024) | Viewed by 7614

Special Issue Editor


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Guest Editor
School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, NSW 2006, Australia
Interests: molecular and mesoscale simulations; microfluidics; nanofluidics; nanoparticles; polymer crystallization; tribology; rheology; computational nanotechnology
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Special Issue Information

Dear Colleagues,

Designing efficient lubricants for various applications requires an understanding of their behaviour at the molecular scale. Lubricants' properties, such as viscosity and rheological behaviour, surface tension, liquid–surface interactions, tribo-film formation, pressure and temperature dependencies, are ultimately governed by their molecular composition. This Special Issue aims to highlight the research community's efforts to understand the behaviour of lubricants at the molecular level. All types of lubricants are considered, including mineral oils, ionic lubricants, water-based lubricants, green lubricants, bio-lubricants, boundary lubricants, self-assembled monolayers, and lubricant additives. Theoretical, modelling and experimental works are welcome, including molecular and mesoscale simulations and modelling, experimental rheological, tribological, and nanostructural characterization, and applications in boundary, elastohydrodynamic, and hydrodynamic lubrication regimes.

Dr. Ahmad Jabbarzadeh
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Lubricants is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • rheology
  • tribology
  • lubricant viscosity
  • normal stress difference
  • molecular simulations
  • mineral lubricants
  • ionic lubricants, water-based lubricants, green lubricants
  • lubricant additives
  • lubricant surface tension
  • hydration lubrication
  • biolubricants
  • surface engineering
  • boundary lubrication, elastohydrodynamic lubrication
  • hydrodynamic lubrication

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Published Papers (4 papers)

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Research

20 pages, 12877 KiB  
Article
Viable Use of Tire Pyrolysis Oil as an Additive to Conventional Motor Oil: A Tribological and Physical Study
by Abdullah A. Alazemi, Abdullah F. Alajmi and Sultan M. Al-Salem
Lubricants 2025, 13(2), 64; https://doi.org/10.3390/lubricants13020064 - 3 Feb 2025
Viewed by 852
Abstract
Stockpiled end-of-life tires (ELTs) pose a serious environmental concern. In the current investigation, ELT pyrolysis oil (i.e., pyro-oil) was studied as a potential additive to conventional motor oil. The pyro-oil samples were mixed in different concentrations of 10 to 50 wt.% with commercial [...] Read more.
Stockpiled end-of-life tires (ELTs) pose a serious environmental concern. In the current investigation, ELT pyrolysis oil (i.e., pyro-oil) was studied as a potential additive to conventional motor oil. The pyro-oil samples were mixed in different concentrations of 10 to 50 wt.% with commercial virgin motor oil to obtain a lubricant mixture. Chemical analyses were performed for the tire-recycled derivative material, as a potential route to utilize pyro-oils, valorize ELT waste, and reduce production costs of motor oil lubricants. Rheological examinations were performed to explore the impact of the pyro-oil on the rheological properties of the motor oil under several shearing rates and temperatures. Tribological analyses of the lubricant mixtures and the pure motor oil were accomplished to study the influence of the pyro-oil additive on the tribological behavior of motor oils. Lastly, thermal stability and wettability examinations were executed to assess the thermal and wetting properties of lubricant mixtures. The obtained results showed that adding a low concentration of the pyro-oil (≤10%) will sustain the motor oil’s chemical, wettability, thermal stability, rheological, and tribological properties, signifying a viable application of recycled ELTs and helping to reduce their environmental and economic impact. These findings offer a feasible route of use in the future to obtain low-cost oils with market specifications, utilizing pyro-oil as a sustainable and environmental oil additive. Full article
(This article belongs to the Special Issue Advances in Molecular Rheology and Tribology)
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19 pages, 12210 KiB  
Article
The Effect of Geometrical Shape of Surface Texture on the Rheology and Tribology of Confined Lubricants
by Fankai Peng and Ahmad Jabbarzadeh
Lubricants 2025, 13(1), 13; https://doi.org/10.3390/lubricants13010013 - 3 Jan 2025
Viewed by 487
Abstract
Understanding lubrication at the nanoscale is essential for reducing friction. While alkanes, the primary component in most lubricants, have been studied for their molecular structure’s impact on rheology and behavior when confined by solid surfaces, the influence of confining surface texture remains underexplored. [...] Read more.
Understanding lubrication at the nanoscale is essential for reducing friction. While alkanes, the primary component in most lubricants, have been studied for their molecular structure’s impact on rheology and behavior when confined by solid surfaces, the influence of confining surface texture remains underexplored. This research uses molecular dynamics simulations to investigate the rheological behavior of thin film lubrication between various patterned rough surfaces. The study focuses on sinusoidal, sawtooth, and squaretooth wave-patterned surfaces, using hexadecane as the lubricant. The simulations examine the effects under different normal loads and shear rates. Surface patterns significantly influence the formation and structure of crystalline bridges, depending on shear rates and normal loads. The sawtooth wave-patterned surface exhibits the highest viscosity under low normal load and shear rate conditions, forming crystalline bridges with a molecular orientation perpendicular to the shear direction. The squaretooth patterns exhibit the lowest viscosities due to the nematic order in crystalline bridges with molecules aligned in the shearing direction. The sinusoidal wave-patterned surface shows intermediary viscosity with disordered crystalline bridge groups formed with random molecular orientation. The lowest viscosity provided by the squaretooth pattern surface persists across various conditions, including both transitory and steady states, under high and low loads, and over a wide range of shear rates. However, the difference in shear viscosity is reduced at higher normal loads. This research provides valuable insights for designing nanoelectromechanical systems (NEMS) and other applications where boundary conditions are critical to lubrication. Full article
(This article belongs to the Special Issue Advances in Molecular Rheology and Tribology)
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18 pages, 15399 KiB  
Article
Molecular Dynamics Study on the Tribological Characteristics of Grain Boundary-Containing Graphene/h-BN Heterostructure Films
by Bo Zhao, Shifan Huang, Yutao Zhang, Xiangcheng Ju, Chengbang Li, Zhenglin Li and Lingji Xu
Lubricants 2024, 12(8), 296; https://doi.org/10.3390/lubricants12080296 - 22 Aug 2024
Cited by 2 | Viewed by 923
Abstract
A heterostructure film composed of graphene and h-BN has superlubricity and long-term anti-corrosion performance, enabling its potential applications as low-friction and corrosion-resistant coatings, especially in marine environments. However, the grain boundaries (GBs) and point defects formed during the preparation process may significantly [...] Read more.
A heterostructure film composed of graphene and h-BN has superlubricity and long-term anti-corrosion performance, enabling its potential applications as low-friction and corrosion-resistant coatings, especially in marine environments. However, the grain boundaries (GBs) and point defects formed during the preparation process may significantly affect the performance of the film. In this study, the tribological properties and wear mechanism of heterostructure films with different GB misorientation angles were studied with the molecular dynamics method. The results show that the high-energy atoms generated by strain-induced hillocks along the GBs can lead to stress concentration, thus deteriorating the wear resistance of the heterostructure film. Furthermore, point defects occurring on high-energy atoms can significantly alleviate the stress concentration, which is conducive to improving the wear resistance of the film. This study sheds light on improving the tribological characteristics of a graphene/h-BN heterostructure coating by properly controlling its microstructure. Full article
(This article belongs to the Special Issue Advances in Molecular Rheology and Tribology)
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16 pages, 9222 KiB  
Article
Investigating the Wettability, Rheological, and Tribological Properties of Ammonium-Based Protic Ionic Liquids as Neat Lubricants for Steel–Steel and Steel–Aluminium Contacts
by B. Depu Kumar Patro, P. S. Suvin, Raimondas Kreivaitis and Milda Gumbytė
Lubricants 2023, 11(11), 469; https://doi.org/10.3390/lubricants11110469 - 1 Nov 2023
Viewed by 2173
Abstract
This study aims to evaluate the tribological properties of two protic ionic liquids (PILs) under different tribological conditions as a sustainable alternative for mineral oil-based neat lubricants. The synthesis of PILs in this study uses a relatively simple and less expensive method. The [...] Read more.
This study aims to evaluate the tribological properties of two protic ionic liquids (PILs) under different tribological conditions as a sustainable alternative for mineral oil-based neat lubricants. The synthesis of PILs in this study uses a relatively simple and less expensive method. The Fourier transform infrared (FTIR) spectroscopy results help validate the synthesised PILs’ formation. Further, their physicochemical and tribological properties were investigated. The PILs as neat lubricants were tested on a ball-on-plate reciprocating tribometer using bearing steel–bearing steel and bearing steel–aluminium alloy friction pairs at 30 °C and 80 °C. The results show that the investigated PILs significantly reduced the coefficient of friction and wear. The dodecylamine-based PILs performed better in friction and wear reduction than the other investigated lubricants. The formation of the adsorption layer on the friction pairs was assumed to be the dominant friction and wear reduction mechanism. Full article
(This article belongs to the Special Issue Advances in Molecular Rheology and Tribology)
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