Exploring the Relation among Free Volume, Electrostatic Interaction, and Side Chain Flexibility of Ether-Functionalized Ionic Liquids by Molecular Dynamics Simulations

2017 ◽  
Vol 2 (20) ◽  
pp. 5545-5551 ◽  
Author(s):  
Hujun Shen ◽  
Zhengjian Chen ◽  
Tiejun Xiao
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulations ◽  
Free Volume ◽  
Electrostatic Interaction ◽  
Side Chain ◽  
Chain Flexibility ◽  
Dynamics Simulations

Prediction of Ionic Liquids Properties through Molecular Dynamics Simulations

2014 ◽  
Vol 4 (2) ◽  
pp. 151-172 ◽  
Author(s):  
Marta L.S. Batista ◽  
Joao A.P. Coutinho ◽  
Jose R.B. Gomes
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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