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Brownian dynamics of grafted polymer chains: time dependent properties
Author(s) -
Neelov Igor M.,
Binder Kurt
Publication year - 1995
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.1995.040040605
Subject(s) - exponent , brownian dynamics , chain (unit) , grafting , correlation function (quantum field theory) , polymer , relaxation (psychology) , exponential function , brownian motion , dynamics (music) , materials science , plane (geometry) , statistical physics , polymer chemistry , physics , mathematical analysis , geometry , mathematics , composite material , quantum mechanics , psychology , social psychology , philosophy , linguistics , acoustics , dielectric , optoelectronics
Results of computer simulations of polymer layers consisting of chains grafted by one end on an unpenetrable plane are presented. Characteristics of translational and rotational motion of different chain segments and correlation functions of chain radii were calculated both for single layers at different grafting densities s and for two interacting layers at different distances D between parallel grafting planes. Two values of grafting density were used in the latter case. The behavior of different correlation times as function of s and D and the interplay between the interpenetration of the brushes and rotational and translational motion are discussed. Both relaxation functions and mean square displacements are discussed in terms of stretched exponentials, and the behavior of the resulting “Kohlrausch exponents” γ is presented in detail.