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Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation
[Image: see text] The system-size dependence of computed mutual diffusion coefficients of multicomponent mixtures is investigated, and a generalized correction term is derived. The generalized finite-size correction term was validated for the ternary molecular mixture chloroform/acetone/methanol as...
Shranjeno v:
| izdano v: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
American
Chemical Society
2020
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| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7288667/ https://ncbi.nlm.nih.gov/pubmed/32338889 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00268 |
| Oznake: |
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