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n-Pentanol Lubrication of Silica Layers Passivated with Hydroxyl Groups Under Constant Shear Stress and Load and Isothermal Conditions

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Abstract

We conducted molecular dynamics simulations to study the frictional behavior of hydroxyl-passivated silica layers lubricated with n-pentanol chains under constant shear stress, constant normal load, and isothermal conditions. We analyzed the resulting single, multiple, and continuous sliding regimes for several shear stresses at a single normal load and proposed a sliding mechanism between the n-pentanol chains’ methyl groups. The critical ordering of hydrogen bonds between hydroxyl groups on the surface and the lubricant is necessary to reach the stationary state, where velocity follows a logarithmic dependence on shear stress up to a critical speed of 20 nm/ns. Stationary states corresponding to pure single slip and continuous sliding behaviors showed normal speed distributions, while multiple slip behavior showed near normal and bimodal distributions. In the single slip behavior, layers show constant displacements of 0.27 Å, representing half the separation of two surface hydroxyls in the sliding direction. The lubricant experienced minor volume expansions throughout the range of studied shear stresses due to an increasing layer separation at the contact surface and increasing tilting of the lubricant chains.

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Funding

This work was supported by CONACYT (México) through an infrastructure fellowship (Grant number 268652), and the Universidad Michoacana de San Nicolás de Hidalgo through research funds under the CIC program.

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Authors and Affiliations

  1. Facultad de Ingeniería Química, Universidad Michoacana de San Nicolás de Hidalgo, 58000, Morelia, Michoacán, México

    Roberto Guerra-Gonzalez

  2. Facultad de Ciencias Físico - Matemáticas, Universidad Michoacana de San Nicolás de Hidalgo, 58000, Morelia, Michoacán, México

    Vidal Moises Bastida-Silva & Fernando Iguazu Ramirez-Zavaleta

  3. Laboratorio de Fisicoquímica Y Reactividad de Superficies (LaFReS), Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior S/N, CU, Del. Coyoacán, Ciudad de Mexico, México

    Jose Luis Rivera & Enrique Lima

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All authors contributed to the study conception and design. Material preparation, data collection and analysis were performed by JLR, VMB-S, RG-G, FIR-Z, and EL. The first draft of the manuscript was written by JLR and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.

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Guerra-Gonzalez, R., Bastida-Silva, V.M., Rivera, J.L. et al. n-Pentanol Lubrication of Silica Layers Passivated with Hydroxyl Groups Under Constant Shear Stress and Load and Isothermal Conditions. Tribol Lett 71, 59 (2023). https://doi.org/10.1007/s11249-023-01731-6

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