Search
Influence of addition of carbon nanotubes on rheological properties of selected liquid lubricants - a computer simulation study
Abstract
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 × 10−5Å/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.
Citations
-
0
CrossRef
-
0
Web of Science
-
0
Scopus
Cite as
Full text
- Publication version
- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.17466/tq2020/24.4/c
- License
-
open in new tab
Keywords
Details
- Category:
- Articles
- Type:
- artykuły w czasopismach
- Published in:
-
TASK Quarterly
no. 24,
pages 345 - 388,
ISSN: 1428-6394 - Language:
- English
- Publication year:
- 2020
- Bibliographic description:
- Chopra A., Winczewski S.: Influence of addition of carbon nanotubes on rheological properties of selected liquid lubricants - a computer simulation study// TASK Quarterly -Vol. 24,iss. 4 (2020), s.345-388
- DOI:
- Digital Object Identifier (open in new tab) 10.17466/tq2020/24.4/c
- Verified by:
- Gdańsk University of Technology
seen 84 times
Recommended for you
On analysis of nanocomposite conical structures
- S. Dastjerdi,
- Ö. Civalek,
- M. Malikan
- + 1 authors
Surface diffusion and cluster formation of gold on the silicon (111)
- W. Pleczysty,
- I. Shtablavyi,
- K. Rybacki
- + 3 authors
Theoretical Encapsulation of Fluorouracil (5-FU) Anti-Cancer Chemotherapy Drug into Carbon Nanotubes (CNT) and Boron Nitride Nanotubes (BNNT)
- M. Zarghami Dehaghani,
- F. Yousefi,
- S. M. Sajadi
- + 7 authors