Search results for "Nanocolloids"

Excess free energy of nanoparticles in a polymer brush

2008

Abstract We present an efficient method for direct determination of the excess free energy Δ F of a nanoparticle inserted into a polymer brush. In contrast to Widom's insertion method, the present approach can be efficiently implemented by Monte Carlo or Molecular Dynamics methods also in a dense environment. In the present investigation the method is used to determine the free energy penalty Δ F ( R , D ) for placing a spherical particle with an arbitrary radius R at different positions D between the grafting plane and the brush surface. Deep inside the brush, or for dense brushes, one finds Δ F  ∝  R 3 whereas for shallow nanoclusions Δ F  ∝  R 2 , regardless of the particle interaction (…