Structural properties of geminal dicationic ionic liquid/water mixtures: a theoretical and experimental insight

2016 ◽  
Vol 18 (24) ◽  
pp. 16544-16554 ◽  
Author(s):  
Alessandra Serva ◽  
Valentina Migliorati ◽  
Andrea Lapi ◽  
Giuliana Aquilanti ◽  
Alessandro Arcovito ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Liquid Water ◽  
Exafs Spectroscopy ◽  
Dicationic Ionic Liquid ◽  
Dynamics Simulations

The structural properties of geminal dicationic ionic liquid/water mixtures have been investigated using EXAFS spectroscopy and molecular dynamics simulations.

Molecular dynamics simulations of a dicationic ionic liquid for CO2 capture

2021 ◽  
pp. 116163
Author(s):  
Nicole Onishi Feider ◽  
Shannon M. Mahurin ◽  
Chi-Linh Do-Thanh ◽  
Sheng Dai ◽  
De-en Jiang
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Co2 Capture ◽  
Dicationic Ionic Liquid ◽  
Dynamics Simulations

Structure and Dynamics of Uranyl(VI) and Plutonyl(VI) Cations in Ionic Liquid/Water Mixtures via Molecular Dynamics Simulations

2013 ◽  
Vol 117 (37) ◽  
pp. 10852-10868 ◽  
Author(s):  
Katie A. Maerzke ◽  
George S. Goff ◽  
Wolfgang H. Runde ◽  
William F. Schneider ◽  
Edward J. Maginn
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Structure And Dynamics ◽  
Dynamics Simulations

Combining EXAFS spectroscopy and molecular dynamics simulations to understand the structural and dynamic properties of an imidazolium iodide ionic liquid

2015 ◽  
Vol 17 (4) ◽  
pp. 2464-2474 ◽  
Author(s):  
Valentina Migliorati ◽  
Alessandra Serva ◽  
Giuliana Aquilanti ◽  
Luca Olivi ◽  
Sakura Pascarelli ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Dynamic Properties ◽  
Integrated Approach ◽  
Exafs Spectroscopy ◽  
Dynamics Simulations

An integrated approach combining EXAFS spectroscopy and molecular dynamics simulations has been applied to the study of liquid [C4mim]I.

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