Determining the Accuracy of Classical Force Fields for Ionic Liquids: Atomistic Simulation of the Thermodynamic and Transport Properties of 1-Ethyl-3-methylimidazolium Ethylsulfate ([emim][EtSO4]) and Its Mixtures with Water

2008 ◽  
Vol 47 (23) ◽  
pp. 9115-9126 ◽  
Author(s):  
Manish S. Kelkar ◽  
Wei Shi ◽  
Edward J. Maginn
Keyword(s):  
Ionic Liquids ◽  
Transport Properties ◽  
Atomistic Simulation ◽  
Force Fields ◽  
Thermodynamic And Transport Properties

Effect of increasing the cation chain length on thermodynamic and transport properties of ionic liquids using Molecular Dynamics

2021 ◽  
pp. 116430
Author(s):  
E.G. Blanco-Díaz ◽  
G. González-Alatorre ◽  
F.J. Lona-Ramírez ◽  
E.O. Castrejón-González
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Transport Properties ◽  
Chain Length ◽  
Thermodynamic And Transport Properties

Molecular Modeling and Experimental Studies of the Thermodynamic and Transport Properties of Pyridinium-Based Ionic Liquids

2006 ◽  
Vol 110 (6) ◽  
pp. 2821-2832 ◽  
Author(s):  
Cesar Cadena ◽  
Qi Zhao ◽  
Randall Q. Snurr ◽  
Edward J. Maginn
Keyword(s):  
Ionic Liquids ◽  
Molecular Modeling ◽  
Transport Properties ◽  
Experimental Studies ◽  
Thermodynamic And Transport Properties

The General AMBER Force Field (GAFF) Can Accurately Predict Thermodynamic and Transport Properties of Many Ionic Liquids

2015 ◽  
Vol 119 (18) ◽  
pp. 5882-5895 ◽  
Author(s):  
K. G. Sprenger ◽  
Vance W. Jaeger ◽  
Jim Pfaendtner
Keyword(s):  
Ionic Liquids ◽  
Force Field ◽  
Transport Properties ◽  
Amber Force Field ◽  
Thermodynamic And Transport Properties

Effect of choline-based ionic liquids on thermodynamic and transport properties of aqueous diphenhydramine hydrochloric acid solutions

2021 ◽  
pp. 116431
Author(s):  
Mohammad Reza Behboudi ◽  
Mohammed Taghi Zafarani-Moattar ◽  
Hemayat Shekaari ◽  
Fariba Ghaffari
Keyword(s):  
Ionic Liquids ◽  
Hydrochloric Acid ◽  
Transport Properties ◽  
Acid Solutions ◽  
Hydrochloric Acid Solutions ◽  
Thermodynamic And Transport Properties

Thermodynamic and transport properties of ionic liquids, 1-alkyl-3-methylimidazolium thiocyanate in the aqueous lithium halides solutions

2020 ◽  
Vol 141 ◽  
pp. 105953 ◽  
Author(s):  
Hemayat Shekaari ◽  
Mohammed Taghi Zafarani-Moattar ◽  
Behrang Golmohammadi
Keyword(s):  
Ionic Liquids ◽  
Transport Properties ◽  
Thermodynamic And Transport Properties ◽  
Lithium Halides

Study of thermodynamic and transport properties of phosphonium-based ionic liquids

2013 ◽  
Vol 62 ◽  
pp. 98-103 ◽  
Author(s):  
Francisco J. Deive ◽  
Miguel A. Rivas ◽  
Ana Rodríguez
Keyword(s):  
Ionic Liquids ◽  
Transport Properties ◽  
Thermodynamic And Transport Properties
Sign in / Sign up

Export Citation Format

Share Document