Viscosity, Interfacial Tension, and Density of Binary-Liquid Mixtures of n-Hexadecane with n-Octacosane, 2,2,4,4,6,8,8-Heptamethylnonane, or 1-Hexadecanol at Temperatures between 298.15 and 573.15 K by Surface Light Scattering and Equilibrium Molecular Dynamics Simulations

2021 ◽  
Author(s):  
Frances D. Lenahan ◽  
Michael Zikeli ◽  
Michael H. Rausch ◽  
Tobias Klein ◽  
Andreas P. Fröba
Keyword(s):  
Molecular Dynamics ◽  
Light Scattering ◽  
Interfacial Tension ◽  
Molecular Dynamics Simulations ◽  
Liquid Mixtures ◽  
Binary Liquid Mixtures ◽  
Surface Light Scattering ◽  
Binary Liquid ◽  
Dynamics Simulations

Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations

2020 ◽  
Vol 124 (20) ◽  
pp. 4146-4163
Author(s):  
Tobias Klein ◽  
Frances D. Lenahan ◽  
Manuel Kerscher ◽  
Michael H. Rausch ◽  
Ioannis G. Economou ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Light Scattering ◽  
Molecular Dynamics Simulations ◽  
Surface Light Scattering ◽  
Branched Alkanes ◽  
Dynamics Simulations

Nanostructural Organization in Acetonitrile/Ionic Liquid Mixtures: Molecular Dynamics Simulations and Optical Kerr Effect Spectroscopy

ChemPhysChem ◽  
2012 ◽  
Vol 13 (7) ◽  
pp. 1687-1700 ◽  
Author(s):  
Fehmi Bardak ◽  
Dong Xiao ◽  
Larry G. Hines ◽  
Pillhun Son ◽  
Richard A. Bartsch ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Kerr Effect ◽  
Liquid Mixtures ◽  
Optical Kerr Effect ◽  
Dynamics Simulations ◽  
Nanostructural Organization

Vibration-rotation spectra of HCl in rare-gas liquid mixtures: Molecular dynamics simulations of Q-branch absorption

2002 ◽  
Vol 116 (12) ◽  
pp. 5058 ◽  
Author(s):  
A. Medina ◽  
J. M. M. Roco ◽  
A. Calvo Hernández ◽  
S. Velasco ◽  
M. O. Bulanin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Mixtures ◽  
Rare Gas ◽  
Vibration Rotation ◽  
Dynamics Simulations
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