A carregar...

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...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Jamali, Seyed Hossein, Bardow, André, Vlugt, Thijs J. H., Moultos, Othonas A.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2020
Acesso em linha: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
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!