Coarse-Grained and Reverse-Mapped United-Atom Simulations of Long-Chain Atactic Polystyrene Melts: Structure, Thermodynamic Properties, Chain Conformation, and Entanglements-Reference-Cited by-同舟云学术

Coarse-Grained and Reverse-Mapped United-Atom Simulations of Long-Chain Atactic Polystyrene Melts: Structure, Thermodynamic Properties, Chain Conformation, and Entanglements

Published:2007-04-19 Issue:10 Volume:40 Page:3876-3885
ISSN:0024-9297
Container-title:Macromolecules
language:en
Short-container-title:Macromolecules

Author:

Spyriouni Theodora¹,Tzoumanekas Christos¹,Theodorou Doros¹,Müller-Plathe Florian¹,Milano Giuseppe¹

Affiliation:

1. Department of Materials Science and Engineering, School of Chemical Engineering, National Technical University of Athens, 9 Heroon Polytechniou Street, Zografou Campus, Athens GR 15780, Greece, Institute of Physical Chemistry, NRCPS “Demokritos”, Aghia Paraskevi Attikis, 153 10 Athens, Greece, and Dutch Polymer Institute (DPI), P.O. Box 902, 5600 AX Eindhoven, The Netherlands, Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt, Petersenstrasse 20, D-64287...

Publisher

American Chemical Society (ACS)

Subject

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

Link

https://pubs.acs.org/doi/pdf/10.1021/ma0700983

Reference38 articles.

1. A Novel Monte Carlo Scheme for the Rapid Equilibration of Atomistic Model Polymer Systems of Precisely Defined Molecular Architecture

2. Atomistic Monte Carlo simulation of strictly monodisperse long polyethylene melts through a generalized chain bridging algorithm

3. Bridging the Gap Between Atomistic and Coarse-Grained Models of Polymers: Status and Perspectives

4. Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back

5. Automatic coarse graining of polymers

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