Molecular dynamics simulation of corrosive species diffusion in imidazoline inhibitor films with different alkyl chain length

2013 ◽  
Vol 73 ◽  
pp. 123-129 ◽  
Author(s):  
Youguo Yan ◽  
Xiao Wang ◽  
Yang Zhang ◽  
Pan Wang ◽  
Xuhui Cao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Chain Length ◽  
Alkyl Chain ◽  
Alkyl Chain Length ◽  
Dynamics Simulation ◽  
Species Diffusion

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.

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