Microscopic Structure, Conformation, and Dynamics of Ring and Linear Poly(ethylene oxide) Melts from Detailed Atomistic Molecular Dynamics Simulations: Dependence on Chain Length and Direct Comparison with Experimental Data

Author:

Tsalikis Dimitrios G.1,Koukoulas Thanasis1,Mavrantzas Vlasis G.12ORCID,Pasquino Rossana34,Vlassopoulos Dimitris35,Pyckhout-Hintzen Wim6,Wischnewski Andreas6,Monkenbusch Michael6,Richter Dieter6

Affiliation:

1. Department of Chemical Engineering, University of Patras and FORTH-ICE/HT, GR 26504, Patras, Greece

2. Particle Technology Laboratory, Department of Mechanical and Process Engineering, ETH-Z, CH-8092 Zürich, Switzerland

3. FORTH, Institute for Electronic Structure and Laser, Heraklion 71110, Greece

4. Department of Chemical, Materials and Industrial Engineering, University of Napoli Federico II, P.le Tecchio 80, 80125 Napoli, Italy

5. Department of Materials Science & Technology, University of Crete, Heraklion 71003, Greece

6. Jülich Centre for Neutron Science (JCNS-1) and Institute for Complex Systems (ICS-1), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

Funder

General Secretariat for Research and Technology

European Social Fund

Limmat Stiftung

Publisher

American Chemical Society (ACS)

Subject

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

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