We present Monte Carlo simulations for studying the statistical mechanics of arbitrarily long single molecules under stretching. In many cases in which the thermodynamic limit is not satisfied, different statistical ensembles yield different macroscopic force-displacement curves. In this work we provide a description of the Monte Carlo simulations and discuss in details the assumptions adopted.
Monte Carlo simulations of single polymer force-extension relations
COLOMBO, LUCIANO
2012-01-01
Abstract
We present Monte Carlo simulations for studying the statistical mechanics of arbitrarily long single molecules under stretching. In many cases in which the thermodynamic limit is not satisfied, different statistical ensembles yield different macroscopic force-displacement curves. In this work we provide a description of the Monte Carlo simulations and discuss in details the assumptions adopted.
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