Published December 28, 2025
| Version 1.0.0
Dataset
Open
2,2,4-trimethylhexane Equilibrium Molecular Dynamics Viscosity Dataset
Authors/Creators
-
1.
Ghent University
- 2. Labo Soete, Ghent University, Technologiepark-Zwijnaarde 46, B-9052, Ghent, Belgium
- 3. FlandersMake\@UGent, Core Lab MIRO, 3001 Leuven, Belgium
- 4. Center for Molecular Modeling (CMM), Ghent University, Technologiepark-Zwijnaarde 46, B-9052, Zwijnaarde, Belgium
Description
This is an extension of a previous dataset of 2,2,4-trimethylhexane equilibrium molecular dynamics viscosity data. The original dataset can be found at https://doi.org/10.5281/zenodo.7753253. This extension includes 500 ns MD simulations at 293 K and 1 GPa. In addition, the data is now stored in NumPy ZIP (NPZ) format, making them easier to use in Python scripts.
See README.pdf for a full technical description.
Files
README.pdf
Files
(1.4 GB)
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Additional details
Related works
- Cites
- Publication: 10.3390/lubricants11040183 (DOI)
- Software: https://molmod.github.io/stacie (URL)
- Is new version of
- Dataset: 10.5281/zenodo.7753253 (DOI)