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Distribution Function and Thermodynamic Potentials of a Self‐Avoiding Chain
Author(s) -
Drozdov Aleksey D.
Publication year - 2006
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.200600020
Subject(s) - dimensionless quantity , chain (unit) , function (biology) , distribution (mathematics) , distribution function , stiffness , mathematical analysis , tension (geology) , chemistry , statistical physics , thermodynamics , physics , mathematics , geometry , mechanics , classical mechanics , compression (physics) , quantum mechanics , evolutionary biology , biology
Summary: An explicit expression is derived for the distribution function of end‐to‐end vectors for a flexible self‐avoiding chain. Based on this relation, analytical formulas are developed for the free and internal energies of a chain with excluded‐volume interactions. Force–stretch relations are obtained at uniaxial tension and compression. The effects of strength of segment interactions on the shapes of the distribution function and the force‐displacement diagram, as well as on the mean‐square end‐to‐end distance and stiffness of a chain are studied numerically.The dimensionless distribution function P versus the dimensionless end‐to‐end vector Q * for self‐repellent chains with χ = 0.0, 0.4, 0.8, 1.2, and 1.6, from top to bottom, respectively.