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Air-Liquid Interface of Imidazolium-Based [Tf2N-] Ionic Liquids: Insight from Molecular Dynamics Simulations
- 1.0376076 - ÚCHP 2013 RIV GB eng J - Journal Article
Lísal, Martin - Posel, Z. - Izák, Pavel
Air-Liquid Interface of Imidazolium-Based [Tf2N-] Ionic Liquids: Insight from Molecular Dynamics Simulations.
Physical Chemistry Chemical Physics. Roč. 14, č. 15 (2012), s. 5164-5177. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701; GA MŠMT LH12020; GA ČR GAP106/10/1194
Institutional research plan: CEZ:AV0Z40720504
Keywords : molecular dynamics simulation * ionic liquids * air-liquid interface
Subject RIV: CI - Industrial Chemistry, Chemical Engineering
Impact factor: 3.829, year: 2012
We present molecular dynamics simulations of the air–liquid interface for three room temperature ionic liquids. The air–liquid interface is analyzed using the intrinsic method of Identification of the Truly Interfacial Molecules. Structural and dynamic properties of the interfacial, sub-interfacial and central layers are determined.
Permanent Link: http://hdl.handle.net/11104/0208575
Number of the records: 1