scholarly journals Single Particle Dynamics at the Liquid–Liquid Interface. Molecular Dynamics Simulation Study of the Water-CCl4 System

2019 ◽  
Vol 124 (3) ◽  
pp. 2039-2049 ◽  
Author(s):  
Balázs Fábián ◽  
George Horvai ◽  
Marcello Sega ◽  
Pál Jedlovszky
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Single Particle ◽  
Particle Dynamics ◽  
Liquid Interface ◽  
Dynamics Simulation

Temperature dependence of single particle dynamics of flexible liquid tetrachloromethane using molecular dynamics simulation

1998 ◽  
Vol 75 (2) ◽  
pp. 127-142 ◽  
Author(s):  
Tetsuo Nakagawa ◽  
Shigenobu Yamanaka ◽  
Hiroshi Urakawa ◽  
Kanji Kajiwara ◽  
Hideyuki Maeda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Single Particle ◽  
Particle Dynamics ◽  
Dynamics Simulation

Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: a nonlinear vibrational spectroscopy and molecular dynamics simulation study

2015 ◽  
Vol 17 (38) ◽  
pp. 24587-24597 ◽  
Author(s):  
Takashi Iwahashi ◽  
Tatsuya Ishiyama ◽  
Yasunari Sakai ◽  
Akihiro Morita ◽  
Doseok Kim ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Vibrational Spectroscopy ◽  
Simulation Study ◽  
Md Simulation ◽  
Liquid Interface ◽  
Dynamics Simulation ◽  
Simulation Studies

IV-SFG vibrational spectroscopy and MD simulation studies reveal a local polar/nonpolar layering structure at the interface of 1-butanol-d9 and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim]PF6).

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