Thermodynamic Properties of Star Shaped Polymers Investigated with Wang-Landau Monte Carlo Simulations

Research output

2 Citations (Scopus)

Abstract

Entropic sampling method within Wang-Landau algorithm is used for simulation of lattice models of linear polymer chains and 6-arm star-shaped polymers. The semi-phantom (i.e. nonreversal) random walk on 3D simple cubic lattice is used as a reference system. The densities of states are obtained and on their basis the temperature dependences of internal energy, heat capacity, entropy and mean square radius of gyration are calculated. Results for stars are compared with data for linear chains.
Original languageEnglish
Pages (from-to)267-275
JournalMacromolecular Symposia
Volume317-318
Issue number1
DOIs
Publication statusPublished - 2012

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reference systems
gyration
internal energy
random walk
Stars
Thermodynamic properties
thermodynamic properties
sampling
specific heat
entropy
stars
temperature dependence
radii
polymers
Specific heat
Polymers
Entropy
simulation
Sampling
Temperature

Cite this

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title = "Thermodynamic Properties of Star Shaped Polymers Investigated with Wang-Landau Monte Carlo Simulations",
abstract = "Entropic sampling method within Wang-Landau algorithm is used for simulation of lattice models of linear polymer chains and 6-arm star-shaped polymers. The semi-phantom (i.e. nonreversal) random walk on 3D simple cubic lattice is used as a reference system. The densities of states are obtained and on their basis the temperature dependences of internal energy, heat capacity, entropy and mean square radius of gyration are calculated. Results for stars are compared with data for linear chains.",
keywords = "Monte Carlo, polymers, star polymers, Wang-Landau algorithm",
author = "Silantyeva, {I. A.} and Vorontsov-Velyaminov, {P. N.}",
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journal = "Macromolecular Symposia",
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T1 - Thermodynamic Properties of Star Shaped Polymers Investigated with Wang-Landau Monte Carlo Simulations

AU - Silantyeva, I. A.

AU - Vorontsov-Velyaminov, P. N.

PY - 2012

Y1 - 2012

N2 - Entropic sampling method within Wang-Landau algorithm is used for simulation of lattice models of linear polymer chains and 6-arm star-shaped polymers. The semi-phantom (i.e. nonreversal) random walk on 3D simple cubic lattice is used as a reference system. The densities of states are obtained and on their basis the temperature dependences of internal energy, heat capacity, entropy and mean square radius of gyration are calculated. Results for stars are compared with data for linear chains.

AB - Entropic sampling method within Wang-Landau algorithm is used for simulation of lattice models of linear polymer chains and 6-arm star-shaped polymers. The semi-phantom (i.e. nonreversal) random walk on 3D simple cubic lattice is used as a reference system. The densities of states are obtained and on their basis the temperature dependences of internal energy, heat capacity, entropy and mean square radius of gyration are calculated. Results for stars are compared with data for linear chains.

KW - Monte Carlo

KW - polymers

KW - star polymers

KW - Wang-Landau algorithm

U2 - 10.1002/masy.201200015

DO - 10.1002/masy.201200015

M3 - Article

VL - 317-318

SP - 267

EP - 275

JO - Macromolecular Symposia

JF - Macromolecular Symposia

SN - 1022-1360

IS - 1

ER -