Adsorption of finite polymers in different thermodynamic ensembles

نویسندگان

  • Monika Möddel
  • Wolfhard Janke
  • Michael Bachmann
چکیده

a r t i c l e i n f o a b s t r a c t We investigate the cooperative effects of a single finite chain of monomers near an attractive substrate by first constructing a conformational pseudo-phase diagram based on the thermal fluctuations of energetic and structural quantities. Then, the adsorption transition is analyzed in more detail. This is conveniently done by a microcanonical analysis of densities of states obtained by extensive multicanonical Monte Carlo simulations. For short chains and strong surface attraction, the microcanonical entropy turns out to be a convex function of energy in the transition regime. This is a characteristic physical effect and deserves a careful consideration in analyses of cooperative macrostate transitions in finite systems.

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عنوان ژورنال:
  • Computer Physics Communications

دوره 182  شماره 

صفحات  -

تاریخ انتشار 2011