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Water Confined in Cylindrical Pores: A Molecular Dynamics Study

Molecular dynamics simulations of water confined in two hydrophilic cylindrical pores—PH and PL—that differ in their silanol surface concentration (7.6 and 3.0 nm(−2), respectively) have been performed at 300 K. A strong interaction of interfacial water molecules with the pore was systematically fou...

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Main Authors: Lerbret, Adrien, Lelong, Gérald, Mason, Philip E., Saboungi, Marie-Louise, Brady, John W.
格式: Artigo
語言:Inglês
出版: 2011
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC3427945/
https://ncbi.nlm.nih.gov/pubmed/22933883
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11483-010-9191-y
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