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arXiv · 1309.6263

A water-like model under confinement for hydrophobic and hydrophilic particle-plate interaction potentials

Leandro B. Krott·Marcia C. Barbosa
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Abstract

Molecular dynamic simulations were employed to study a water-like model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate potentials. For both hydrophobic and hydrophilic walls there are the formation of layers. Crystallization occurs at lower temperature at the contact layer than at the middle layer. In addition, the melting temperature decreases as the plates become more hydrophobic. Similarly, the temperatures of maximum density and extremum diffusivity decrease with hydrophobicity.

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Leandro B. Krott, Marcia C. Barbosa. 2013-09-24. A water-like model under confinement for hydrophobic and hydrophilic particle-plate interaction potentials. https://doi.org/10.1103/physreve.89.012110

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