Adsorption of finite polymers in different thermodynamic ensembles |
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Authors: | Monika Möddel Wolfhard Janke Michael Bachmann |
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Affiliation: | aInstitut für Theoretische Physik and Centre for Theoretical Sciences (NTZ), Universität Leipzig, Postfach 100 920, D-04009 Leipzig, Germany;bInstitut für Festkörperforschung, Theorie II, Forschungszentrum Jülich, D-52425 Jülich, Germany |
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Abstract: | 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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Keywords: | Soft condensed matter Finite systems Polymer physics Monte Carlo |
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