Conformations and Dynamics of Polymer Chains in Cis and Trans Polybutadiene/Silica Nanocomposites through Atomistic Simulations: From the Unentangled to the Entangled Regime
Author(s) -
Alireza F. Behbahani,
Anastassia N. Rissanou,
Georgios Kritikos,
Manolis Doxastakis,
Craig Burkhart,
Patrycja Polińska,
Vagelis Harmandaris
Publication year - 2020
Publication title -
macromolecules
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.994
H-Index - 313
eISSN - 1520-5835
pISSN - 0024-9297
DOI - 10.1021/acs.macromol.0c01030
Subject(s) - molecular dynamics , nanocomposite , materials science , polymer , polybutadiene , chemical physics , kinetics , diffusion , side chain , polymer chemistry , desorption , chemical engineering , adsorption , chemistry , crystallography , thermodynamics , computational chemistry , copolymer , composite material , physics , quantum mechanics , engineering
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