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artículo con referato
"Correlated dynamics of water and amphiphilic molecules in thin Newton black films"
S. Di Napoli and Z. Gamba
J. Chem. Phys. 132(7) (2010) 075101/1-7
The dynamical properties of amphiphilics in Newton black films, as well as those of the water confined between the two charged hydrophilic surfaces, have been calculated via a series of molecular dynamic calculations in several films with different water contents. A charged semiflexible amphiphilic model and the TIP5P model of water are used in our simulations [Z. Gamba, J. Chem. Phys. 129, 164901 (2008)]. We calculate the diffusion coefficients, reorientational dynamics, and the atomic density profile of water molecules as a function of the number of water molecules per amphiphilic (nw). We also analyze the reorientational motion of the amphiphilics and determine a strong correlation between the dynamics of water molecules and the translational and reorientational dynamics of the amphiphilics, as well as a correlation between the reorientational dynamics of the amphiphilics belonging to the upper and lower halves of the studied thin films.
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