Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study

Molecular dynamics simulations of N-methyl-N-propylpyrrolidinium (pyr13) bis(trifluoromethanesulfonyl)imide (Ntf2) ionic liquid [pyr13][Ntf2] mixed with [Li][Ntf2] salt have been conducted using a polarizable force field. Mixture simulations with lithium salt mole fractions between 0% and 33% at 363...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The journal of physical chemistry. B 2012-10, Vol.116 (42), p.12801-12809
Hauptverfasser:	Li, Zhe, Smith, Grant D, Bedrov, Dmitry
Format:	Artikel
Sprache:	eng
Schlagworte:	Electric Conductivity Ionic Liquids - chemistry Lithium - chemistry Models, Molecular Molecular Dynamics Simulation Salts - chemistry Solubility Thermodynamics
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!