LIBROS DEL AUTOR: matthieu fleys

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  • Water Behavior in Hydrophobic Porous Materials
    Matthieu Fleys
    The behavior of water in silicalite and dealuminated zeolite Y (DAY), two highly hydrophobic zeolites, was investigated at different temperatures in the range 100-600 K by molecular dynamics simulations using the Compass forcefield. The full flexibility of water molecules and the zeolite framework was considered. The results show that the behavior of water is more complex in si...
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