Adsorption of finite polymers in different thermodynamic ensembles

Details Adsorption of finite polymers in different thermodynamic ensembles Adsorption of finite polymers in different thermodynamic ensembles

2011-06-30

arxiv.org/abs/1106.6216v1

Computer Physics Communications, Volume 182, Issue 9, September 2011, Pages 1961-1965, Computer Physics Communications Special

Physics

Condensed Matter

Soft Condensed Matter

5 pages, 5 figures, Computer Physics Communications Special Edition for Conference on Computational Physics Trondheim, Norway,

Scientific paper

10.1016/j.cpc.2010.12.016

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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