Mesoscopic Simulations of Free Surfaces of Molten Polyethylene: Brownian Dynamics/Kinetic Monte Carlo Coupled with Square Gradient Theory and Compared to Atomistic Calculations and Experiment-Reference-Cited by-同舟云学术

Mesoscopic Simulations of Free Surfaces of Molten Polyethylene: Brownian Dynamics/Kinetic Monte Carlo Coupled with Square Gradient Theory and Compared to Atomistic Calculations and Experiment

Published:2018-11-27 Issue:23 Volume:51 Page:9798-9815
ISSN:0024-9297
Container-title:Macromolecules
language:en
Short-container-title:Macromolecules

Author:

Sgouros A. P.¹^ORCID,Lakkas A. T.¹,Megariotis G.¹,Theodorou D. N.¹^ORCID

Affiliation:

1. School of Chemical Engineering, National Technical University of Athens (NTUA), GR-15780 Athens, Greece

Funder

Limmat Stiftung

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Inorganic Chemistry,Polymers and Plastics,Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.8b01873

Reference92 articles.

1. Molecular Simulations of Free and Graphite Capped Polyethylene Films: Estimation of the Interfacial Free Energies

2. Rheology and structural changes of polymer melts via nonequilibrium molecular dynamics

3. Rheological Evidence for a Dynamical Crossover in Polymer Melts via Nonequilibrium Molecular Dynamics

4. Zero-shear stress relaxation and long time dynamics of a linear polyethylene melt: A test of Rouse theory

5. Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations

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