Molecular dynamics simulation of diisopropyl ether using various interatomic potentials
Soft Condensed Matter
2023-01-31 v1
Abstract
For diisopropyl ether, a comparative assessment of the accuracy of determining the density and viscosity is carried out using the method of classical molecular dynamics using three potentials. The accuracy of determining the viscosity coefficients when using equilibrium and non-equilibrium calculation methods is also investigated.
Keywords
Cite
@article{arxiv.2301.12180,
title = {Molecular dynamics simulation of diisopropyl ether using various interatomic potentials},
author = {Oleg Kashurin and Nikolay Kondratyuk and Alexander Lankin and Henry Norman},
journal= {arXiv preprint arXiv:2301.12180},
year = {2023}
}
Comments
19 pages, 4 figures, in Russian