Adsorption of finite polymers in different thermodynamic ensembles

作者：Moeddel Monika; Janke Wolfhard; Bachmann Michael

来源：Computer Physics Communications, 2011, 182(9): 1961-1965.

DOI：10.1016/j.cpc.2010.12.016

• Soft condensed matter
• Finite systems
• Polymer physics
• Monte Carlo

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.

• 出版日期2011-9