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Computer Simulation of Adsorbed Polymer Chains with a Different Molecular Architecture
Author(s) -
Sikorski Andrzej
Publication year - 2001
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 - 10.1002/1521-3919(20010101)10:1<38::aid-mats38>3.0.co;2-1
Subject(s) - adsorption , polymer , chain (unit) , scaling , chemical physics , monte carlo method , materials science , molecular dynamics , ring (chemistry) , simple cubic lattice , polymer adsorption , polymer chemistry , lattice model (finance) , thermodynamics , chemistry , computational chemistry , physics , organic chemistry , composite material , mathematics , astronomy , geometry , statistics
Simulations of simple models of polymer chains were carried out by the means of the dynamic Monte Carlo method. The model chains were confined to a simple cubic lattice. Three different chain architectures were studied: linear, star‐branched and ring chains. The polymer model chain interacted with an impenetrable surface with a simple contact attractive potential. It was found that size parameters of all these polymers obey scaling laws. The temperatures of the transitions from weakly to strongly adsorbed chain were determined. It was shown for weakly adsorbed chains that ring polymers are always ca. 50% more adsorbed than linear and star‐branched ones. The properties of adsorbed linear and star‐branched polymers are very similar in the length of chain and the strength of adsorption studied. Strongly adsorbed ring polymers are still more adsorbed but differences between all kinds of chains become less pronounced.