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"Structural and dynamical properties of water confined between two hydrophilic surfaces"
S. Di Napoli and Z. Gamba
Proc. of the Workshop "At the Frontiers of Condensed Matter IV - Current Trends and Novel Materials" (FCM2008), Buenos Aires, Argentina, December 9-12, 2008. Ed. J. Guevara, A.M. Llois, G. Lozano and R. Weht
Physica B Condens. Matter. 404(18) (2009) 2883-2886
The properties of water in the vicinity of surfaces and under confinement have been extensively studied because of the relevance of a quantitative understanding of many processes that not only take place in biological systems, like cells, membranes and microemulsions, but also in many others such as confined water in rocks, ionic channels and interestellar matter. In this work we perform molecular dynamic calculations of the nanoscopic structure of TIP5P model water confined between two hydrophilic surfaces. We calculate the diffusion coefficients and the atomic density profile of water molecules and polar ions in the system as a function of the number of water molecules per amphiphilic (nW). We also study the dependence of the water layer thickness and the profiles of water dipole orientation with this parameter.
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