Mehrnia, Seyedmajid ; Pelz, Peter F. (2023)
Tribological Design by Molecular Dynamics Simulation: Influence of the Molecular Structure on Wall Slip and Bulk Shear.
In: Chemical Engineering & Technology, 2023, 46 (1)
doi: 10.26083/tuprints-00023722
Article, Secondary publication, Publisher's Version
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| Item Type: | Article |
|---|---|
| Type of entry: | Secondary publication |
| Title: | Tribological Design by Molecular Dynamics Simulation: Influence of the Molecular Structure on Wall Slip and Bulk Shear |
| Language: | English |
| Date: | 24 November 2023 |
| Place of Publication: | Darmstadt |
| Year of primary publication: | 2023 |
| Place of primary publication: | Weinheim |
| Publisher: | Wiley-VCH |
| Journal or Publication Title: | Chemical Engineering & Technology |
| Volume of the journal: | 46 |
| Issue Number: | 1 |
| DOI: | 10.26083/tuprints-00023722 |
| Corresponding Links: | |
| Origin: | Secondary publication DeepGreen |
| Abstract: | The tribological properties of a complex branched‐hydrocarbon oil under shear in a gap between smooth iron atom surfaces were studied by large‐scale molecular dynamics (MD) simulation. The liquid was a nonpolar lubricant, i.e. a polyalphaolefin (PAO) oil mixture of 1‐decane dimer, trimer, and tetramer molecules. The rheological characteristics of the lubricant, including the shear stress and viscosity as well as the relaxation time of the liquid molecule, were calculated. The results show that, as the number of branches of the liquid molecule increases, the shear stresses and the wall slip increase. However, for a mixture fluid containing three different branched molecules, the wall slip decreases in comparison to a liquid consisting of only one kind of branched molecule. |
| Uncontrolled Keywords: | Liquid films, Polyalphaolefins, Shear flows, Slip velocity, Viscosity |
| Status: | Publisher's Version |
| URN: | urn:nbn:de:tuda-tuprints-237223 |
| Additional Information: | Special Issue: Digital, Reliable, Sustainable – Recent Innovations in Fluid Power |
| Classification DDC: | 600 Technology, medicine, applied sciences > 620 Engineering and machine engineering |
| Divisions: | 16 Department of Mechanical Engineering > Institute for Fluid Systems (FST) (since 01.10.2006) |
| Date Deposited: | 24 Nov 2023 14:03 |
| Last Modified: | 28 Nov 2023 11:32 |
| SWORD Depositor: | Deep Green |
| URI: | https://tuprints.ulb.tu-darmstadt.de/id/eprint/23722 |
| PPN: | 513487719 |
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