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Numerical Verification of Analytical Results for Statistical Description of Polymer Chains in Nematic Systems
Author(s) -
Walasek Janusz,
Jedynak Radosław
Publication year - 2015
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201400095
Subject(s) - liquid crystal , chain (unit) , statistical physics , elongation , entropy (arrow of time) , internal energy , polymer , thermodynamics , physics , materials science , condensed matter physics , quantum mechanics , nuclear magnetic resonance , metallurgy , ultimate tensile strength
The statistical description of a polymer chain within the nematic system of many chains is considered. The chain entropy and free energy are numerically calculated on the basis of fundamental definitions. No constraints are imposed on the elongation of the chain end‐to‐end distance, which can change from zero to a value for maximally stretched chains, or on the strength of the internal nematic interactions within the system. Obtained results are compared with those calculated by approximate formulas for varying strength of interactions and length of chains.