Improved coarse-grain model to unravel the phase behavior of 1-alkyl-3-methylimidazolium-based ionic liquids through molecular dynamics simulations

Hypothesis Imidazolium-based ionic liquids (ILs) in water exhibit a surfactant-like behavior that is only partially characterized by experimental techniques with molecular dynamic (MD) simulations emerging as a complimentary tool to study their phase behavior. However, while atomistic models suffer...

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Bibliographic Details
Main Author: Crespo, Emanuel A. (author)
Other Authors: Schaeffer, Nicolas (author), Coutinho, João A. P. (author), Perez-Sanchez, German (author)
Format: article
Language:eng
Published: 2023
Subjects:
Ionic liquids
Micelles
Mesophases
Coarse-grain
Molecular dynamics
MARTINI
Online Access:http://hdl.handle.net/10773/33226
Country:Portugal
Oai:oai:ria.ua.pt:10773/33226

Internet

http://hdl.handle.net/10773/33226

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