Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session W15: Simulation-based and Theoretical Insights into Polymer Physics
3:00 PM–5:36 PM,
Thursday, March 9, 2023
Room: Room 207
Sponsoring
Unit:
DPOLY
Chair: Jiale Shi, Massachusetts Institute of Technology
Abstract: W15.00004 : Molecular-Dynamics Simulations of the Glass Transition in Hydrated Nafion Membranes*
3:36 PM–3:48 PM
Presenter:
Alexey Lyulin
(Eindhoven University of Technology)
Authors:
Alexey Lyulin
(Eindhoven University of Technology)
Soumyadipta Sengupta
(Netherlands Org Scientific Res)
Anna Varughese
(Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research, Pune 411008, Maharashtra, India)
Pavel Komarov
(A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow 119991, Russia)
Arun Venkatnathan
(Department of Chemistry and Centre for Energy Science, Indian Institute ofScience Education and Research, Pune 411008, Maharashtra, India)
[1]. A. V. Lyulin S. Sengupta, A. Varghese, P. Komarov and A. Venkatnathan, Effect of annealing on structure and diffusion in hydrated Nafion membranes, ACS Appl. Polym. Mater., 2, 5058-5066, 2020.
*The financial support of the DUO-India Fellowship 2020 program is acknowledged. The Shell-NWO Computational Sciences forEnergy Research (CSER) project funds were partly used to perform the research of this paper. The simulations were performed onthe Dutch national e-infrastructure with the support of SURF Cooperative.
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