Adsorption of finite polymers in different thermodynamic ensembles

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• 作者：Monika Mö ; ddel^a ; ^{Monika.Moeddel@itp.uni-leipzig.de"" rel=""nofollow} ; Wolfhard Janke^a ; ^{Wolfhard.Janke@itp.uni-leipzig.de"" rel=""nofollow} ; Michael Bachmann^b ; ^{m.bachmann@fz-juelich.de"" rel=""nofollow}
• 关键词：Soft condensed matter ; Finite systems ; Polymer physics ; Monte Carlo
• 刊名：Computer Physics Communications
• 出版年：2011
• 出版时间：September 2011
• 年：2011
• 卷：182
• 期：9
• 页码：1961-1965
• 全文大小：467 K

文摘

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.