Cargando…
Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation
In this study, we introduce a new non-equilibrium molecular dynamics simulation method to perform simulations of concentration driven membrane permeation processes. The methodology is based on the application of a non-conservative bias force controlling the concentration of species at the inlet and...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2017
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5578366/ https://www.ncbi.nlm.nih.gov/pubmed/28966778 http://dx.doi.org/10.1039/c6sc04978h |