Molecular Dynamics Simulations of Nanoparticle Self-Assembly at Ionic Liquid–Water and Ionic Liquid–Oil Interfaces

Langmuir ◽  
2011 ◽  
Vol 27 (18) ◽  
pp. 11339-11346 ◽  
Author(s):  
Denzil S. Frost ◽  
Lenore L. Dai
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Self Assembly ◽  
Dynamics Simulations

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.

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

scholarly journals Variation of Interaction Zone Size For The Target Design of 2D Supramolecular Networks

2021 ◽  
Author(s):  
Łukasz Piotr Baran ◽  
Wojciech Rżysko ◽  
Dariusz Tarasewicz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Zone Size ◽  
Interaction Zone ◽  
Supramolecular Networks ◽  
Dynamics Simulations ◽  
Target Design

In this study we have performed extensive coarse-grained molecular dynamics simulations of the self-assembly of tetra-substituted molecules. We have found that such molecules are able to form a variety of...

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