Bulk and Liquid–Vapor Interface of Pyrrolidinium-Based Ionic Liquids: A Molecular Simulation Study

2014 ◽  
Vol 118 (3) ◽  
pp. 731-742 ◽  
Author(s):  
Xavier Paredes ◽  
Josefa Fernández ◽  
Agílio A. H. Pádua ◽  
Patrice Malfreyt ◽  
Friedrich Malberg ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Vapor Interface ◽  
Liquid Vapor

Structure and Dynamics of the Aqueous Liquid−Vapor Interface:  A Comprehensive Particle-Based Simulation Study⊥

2006 ◽  
Vol 110 (8) ◽  
pp. 3738-3746 ◽  
Author(s):  
I-F. Will Kuo ◽  
Christopher J. Mundy ◽  
Becky L. Eggimann ◽  
Matthew J. McGrath ◽  
J. Ilja Siepmann ◽  
...  
Keyword(s):  
Simulation Study ◽  
Vapor Interface ◽  
Structure And Dynamics ◽  
Liquid Vapor

Using Molecular Simulation to Understand the Structure of [C2C1im]+–Alkylsulfate Ionic Liquids: Bulk and Liquid–Vapor Interfaces

2012 ◽  
Vol 116 (48) ◽  
pp. 14159-14170 ◽  
Author(s):  
Xavier Paredes ◽  
Josefa Fernández ◽  
Agílio A. H. Pádua ◽  
Patrice Malfreyt ◽  
Friedrich Malberg ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Molecular Simulation ◽  
Liquid Vapor

Segregation of ions at the interface: molecular dynamics studies of the bulk and liquid–vapor interface structure of equimolar binary mixtures of ionic liquids

2015 ◽  
Vol 17 (30) ◽  
pp. 19919-19928 ◽  
Author(s):  
Sourav Palchowdhury ◽  
B. L. Bhargava
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Binary Mixture ◽  
Binary Mixtures ◽  
Hydrophobic Surface ◽  
Interface Structure ◽  
Vapor Interface ◽  
Liquid Vapor

Ions in an equimolar binary mixture of [emim][TfO] and [omim][TfO] segregate at the liquid–vapor interface to form a hydrophobic surface composed of octyl chains.

Molecular Simulation Study of Interactions of Carbon Dioxide and Water with Ionic Liquids

ChemPhysChem ◽  
2004 ◽  
Vol 5 (7) ◽  
pp. 1049-1052 ◽  
Author(s):  
Johnny Deschamps ◽  
Margarida F. Costa Gomes ◽  
Agílio A. H. Pádua
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Molecular Simulation ◽  
Simulation Study
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