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...

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Detalles Bibliográficos
Autores principales: Jamali, Seyed Hossein, Bardow, André, Vlugt, Thijs J. H., Moultos, Othonas A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7288667/
https://www.ncbi.nlm.nih.gov/pubmed/32338889
http://dx.doi.org/10.1021/acs.jctc.0c00268

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7288667/
https://www.ncbi.nlm.nih.gov/pubmed/32338889
http://dx.doi.org/10.1021/acs.jctc.0c00268

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