Comparison of Molecular Dynamics with Classical Density Functional and Poisson–Boltzmann Theories of the Electric Double Layer in Nanochannels

Comparisons are made among Molecular Dynamics (MD), Classical Density Functional Theory (c-DFT), and Poisson–Boltzmann (PB) modeling of the electric double layer (EDL) for the nonprimitive three component model (3CM) in which the two ion species and solvent molecules are all of finite size. Unlike p...

Descripción completa

Detalles Bibliográficos
Autores principales: Lee, Jonathan W., Nilson, Robert H., Templeton, Jeremy A., Griffiths, Stewart K., Kung, Andy, Wong, Bryan M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2012
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3542913/
https://www.ncbi.nlm.nih.gov/pubmed/23316120
http://dx.doi.org/10.1021/ct3001156

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3542913/
https://www.ncbi.nlm.nih.gov/pubmed/23316120
http://dx.doi.org/10.1021/ct3001156

Ejemplares similares