https://doi.org/10.1051/epjconf/20134404007
Study of thermodynamic and structural properties of a flexible homopolymer chain using advanced Monte Carlo methods
1 Laboratoire de Physique des Plasmas, des Matériaux Conducteurs et de leurs Applications, Département de Physique, Faculté des Sciences, USTOMB, BP 1505 El M’naouer, Oran 31000 Algérie
2 Laboratoire d’Analyse et d’Application des Rayonnements, Département de Physique, Faculté des Sciences, USTOMB, BP 1505 El M’naouer, Oran 31000 Algérie
3 Laboratoire d’Étude Physique des Matériaux, Département de Physique, Faculté des Sciences, USTOMB, BP 1505 El M’naouer, Oran 31000 Algérie
a e-mail: aminesabeur@yahoo.fr
We study the thermodynamic and structural properties of a flexible homopolymer chain using both multi canonical Monte Carlo method and Wang-Landau method. In this work, we focus on the coil-globule transition. Starting from a completely random chain, we have obtained a globule for different sizes of the chain. The implementation of these advanced Monte Carlo methods allowed us to obtain a flat histogram in energy space and calculate various thermodynamic quantities such as the density of states, the free energy and the specific heat. Structural quantities such as the radius of gyration where also calculated.
© Owned by the authors, published by EDP Sciences, 2013
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