Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids

2014 ◽  
Vol 16 (26) ◽  
pp. 13489-13499 ◽  
Author(s):  
Yong Zhang ◽  
Edward J. Maginn
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Chain Length ◽  
Alkyl Chain ◽  
Alkyl Chain Length ◽  
Melting Points ◽  
Fusion Enthalpy

Experimental trends in melting points correctly captured by simulation and the opposite trends were found to be the results of the balance between fusion enthalpy and fusion entropy.

The effect of alkyl chain length on the structure and thermodynamics of protic–aprotic ionic liquid mixtures: a molecular dynamics study

2018 ◽  
Vol 20 (15) ◽  
pp. 9938-9949 ◽  
Author(s):  
Borja Docampo-Álvarez ◽  
Víctor Gómez-González ◽  
Trinidad Méndez-Morales ◽  
Julio R. Rodríguez ◽  
Oscar Cabeza ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Chain Length ◽  
Alkyl Chain ◽  
Molecular Complexes ◽  
Liquid Mixtures ◽  
Alkyl Chain Length ◽  
Ideal Behavior

Mixtures of protic and aprotic ionic liquids exhibit non-ideal behavior with increasing alkyl chain length, caused by the formation of molecular complexes.

Spectroscopic Study on Imidazolium-Based Ionic Liquids: Effect of Alkyl Chain Length and Anion

2012 ◽  
Vol 116 (11) ◽  
pp. 3512-3518 ◽  
Author(s):  
Enrico Binetti ◽  
Annamaria Panniello ◽  
Leonardo Triggiani ◽  
Raffaele Tommasi ◽  
Angela Agostiano ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Spectroscopic Study ◽  
Chain Length ◽  
Alkyl Chain ◽  
Alkyl Chain Length

Densities and refractive indices of imidazolium- and phosphonium-based ionic liquids: Effect of temperature, alkyl chain length, and anion

2009 ◽  
Vol 41 (6) ◽  
pp. 790-798 ◽  
Author(s):  
M. Tariq ◽  
P.A.S. Forte ◽  
M.F. Costa Gomes ◽  
J.N. Canongia Lopes ◽  
L.P.N. Rebelo
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Alkyl Chain ◽  
Alkyl Chain Length ◽  
Effect Of Temperature ◽  
Refractive Indices
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