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Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics
[Image: see text] Molecular dynamics simulations were performed for the prediction of the finite-size effects of Maxwell-Stefan diffusion coefficients of molecular mixtures and a wide variety of binary Lennard–Jones systems. A strong dependency of computed diffusivities on the system size was observ...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5943679/ https://www.ncbi.nlm.nih.gov/pubmed/29664633 http://dx.doi.org/10.1021/acs.jctc.8b00170 |