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Ion Rejection by Nanoporous Membranes in Pressure-Driven Molecular Dynamics Simulations
We perform pressure-driven non-equilibrium molecular dynamics (MD) simulations to drive a 1.0 M NaCl electrolyte through a dipole-lined smooth nanopore of diameter 12 Å penetrating a model membrane. We show that partial, about 70–80%, Cl(−) rejection is achieved at a ~68 atmosphere pressure. At the...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2835361/ https://ncbi.nlm.nih.gov/pubmed/20221310 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1166/jctn.2009.1250 |
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