Improvement of a transferable force field for the prediction of self-diffusivity, viscosity, surface tension, and density of long-chained linear and branched alkanes and alcohols up to 573 K by molecular dynamics simulations

Frances D. Lenahan; Thomas M. Koller; Tobias Klein; Andreas P. Fröba

doi:10.62721/diffusion-fundamentals.32.1110

Improvement of a transferable force field for the prediction of self-diffusivity, viscosity, surface tension, and density of long-chained linear and branched alkanes and alcohols up to 573 K by molecular dynamics simulations

Authors

Frances D. Lenahan
Thomas M. Koller
Tobias Klein
Andreas P. Fröba

DOI:

https://doi.org/10.62721/diffusion-fundamentals.32.1110

Keywords:

diffusion, alkanes, alcohol

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Published

2019-10-01

How to Cite

[1]

F. D. Lenahan, T. M. Koller, T. Klein, and A. P. Fröba, “Improvement of a transferable force field for the prediction of self-diffusivity, viscosity, surface tension, and density of long-chained linear and branched alkanes and alcohols up to 573 K by molecular dynamics simulations”, diffus. fundam., vol. 32, Oct. 2019.

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Issue

Vol. 32 (2019): Special Issue "Diffusion Fundamentals VIII"

Section

Extended Abstracts

URN

http://nbn-resolving.org/urn:nbn:de:bsz:15-qucosa2-724287

License

This work is licensed under a Creative Commons Attribution 4.0 International License.