Influence of addition of carbon nanotubes on rheological properties of selected liquid lubricants - a computer simulation study

• Autorzy: Chopra Anjali , Winczewski Szymon

Identyfikatory

DOI

10.34808/tq2020/24.4/c

• Języki publikacji: EN

Abstrakty

EN

This work is motivated by the improvement of anti-friction properties of lubricants by addition of CNTs proved experimentally in literature. In particular, a methodology is developed to compute the shear viscosity of liquid lubricants (Propylene Glycol) based on Molecular Dynamics simulation. Non-Equilibrium molecular dynamics (NEMD) approach is used with a reactive force field ReaxFF implemented in LAMMPS. The simulations are performed using the canonical (NVT) ensemble with the so-called SLLOD algorithm. Couette flow is imposed on the system by using Lees-Edwards periodic boundary conditions. Suitable parameters such as simulation time and imposed shear velocity are obtained. Using these parameters, the influence of addition of 27 wt% CNTs to Propylene Glycol on its viscosity is analyzed. Results show that 3.2 million time-steps with a 0.1 fs time-step size is not sufficient for the system to reach equilibrium state for such calculations. With the available computational resources, a shear velocity of 5 × 10−5 Å/fs was observed to give viscosity value with approximately 43% error as compared to the experimental value. Moreover, the lubricant exhibited a shear thinning behaviour with increasing shear rates. CNTs enhanced the lubricant's viscosity by 100-190% depending upon the averaging method used for calculation.

Słowa kluczowe

EN

nanotechnology; tribology; lubricants; rheology; propylene glycol; carbon nanotube; non-equilibrium molecular dynamics

PL

nanotechnologia; tribologia; smary; reologia; glikol propylenowy; nanorurki; nierównowagowa dynamika molekularna

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 2020
• Tom: Vol. 24, No 4
• Strony: 345--388
• Opis fizyczny: Bibliogr. 61 poz., rys., tab.

Twórcy

autor

Chopra Anjali

• Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Gabriela Narutowicza 11/12, 80-233 Gdansk, Poland

autor

Winczewski Szymon

• aculty of Applied Physics and Mathematics, Gdansk University of Technology, Gabriela Narutowicza 11/12, 80-233 Gdansk, Poland

Bibliografia

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Uwagi

PL

Opracowanie rekordu ze środków MNiSW, umowa Nr 461252 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2021).