NDLI: Homopolymer Adsorption on Hexagonal Surfaces: A Replica-Exchange Monte Carlo Study

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Homopolymer Adsorption on Hexagonal Surfaces: A Replica-Exchange Monte Carlo Study

Content Provider	Scilit
Author	Liewehr, Benjamin Bachmann, M.
Copyright Year	2016
Description	Journal: Journal of Physics: Conference Series The adsorption behavior and thermodynamic properties of a coarse-grained flexible homopolymer, grafted on a hexagonal patterned surface, are investigated by means of parallel-tempering replica-exchange Monte Carlo simulations. In this study, the strength of the polymer-surface interaction, which is based on a standard Lennard-Jones potential, is changed systematically, mimicking different honeycomb-structured substrate materials. Utilizing specific order parameters, measured over a range of various temperatures and surface adsorption strengths, different structural phases are discriminated into classes of expanded, globular, droplet, and compact conformations. Finally, we construct the hyperphase diagram for a polymer with 55 monomers and discuss representative polymer structures.
Related Links	http://iopscience.iop.org/article/10.1088/1742-6596/686/1/012002/pdf
ISSN	17426588
e-ISSN	17426596
DOI	10.1088/1742-6596/686/1/012002
Journal	Journal of Physics: Conference Series
Volume Number	686
Language	English
Publisher	IOP Publishing
Publisher Date	2016-01-01
Access Restriction	Open
Subject Keyword	Journal: Journal of Physics: Conference Series Polymer Science Thermodynamic Properties Exchange Monte Carlo Replica Exchange Monte
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy

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