"Calculation of the density of states and the thermal properties of polymer chains and stars on a lattice by the Monte Carlo method with the use of the Wang-Landau algorithm"

"Calculation of the density of states and the thermal properties of polymer chains and stars on a lattice by the Monte Carlo method with the use of the Wang-Landau algorithm"
Silantyeva I.A., Vorontsov-Velyaminov P.N.

The Monte Carlo method with the use of the Wang-Landau algorithm is applied to study the lattice models of free polymer chains and 6-arm polymer stars. The ratio of self-avoiding walks among semi-phantom walks for the chains of length N тЙд 300 and the stars with the total number N тЙд 720 of segments is determined. The distribution over the number of monomers' contacts for chains and stars with the number N = 30,72,120 of segments is obtained. Based on this distribution, the temperature dependences are found for the internal energy, the heat capacity, and the entropy.

Keywords: polymer star, Wang-Landau algorithm

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Silantyeva I.A. e-mail: sila3@yandex.ru; Vorontsov-Velyaminov P.N. e-mail: voron.wgroup@gmail.com