Computer Simulations of Surfactant Mixtures at the Liquid/Liquid Interface

2002 ◽  
Vol 106 (23) ◽  
pp. 5915-5924 ◽  
Author(s):  
Hector Domínguez
Keyword(s):  
Computer Simulations ◽  
Liquid Interface ◽  
Surfactant Mixtures

A polymer microgel at a liquid–liquid interface: theory vs. computer simulations

Soft Matter ◽  
2016 ◽  
Vol 12 (32) ◽  
pp. 6799-6811 ◽  
Author(s):  
Artem M. Rumyantsev ◽  
Rustam A. Gumerov ◽  
Igor I. Potemkin
Keyword(s):  
Computer Simulations ◽  
Liquid Interface ◽  
Interface Theory

The Solid-Liquid Interface: Theory and Computer Simulations

1985 ◽  
Vol 63 ◽  
Author(s):  
B. B. Laird ◽  
A. D. J. Haymet
Keyword(s):  
Computer Simulations ◽  
Density Functional ◽  
Dynamic Properties ◽  
Computer Experiments ◽  
Liquid Interface ◽  
Liquid Interfaces ◽  
Functional Theory ◽  
Interface Theory ◽  
Solid Liquid Interface ◽  
Solid Liquid

ABSTRACTWe present the results of computer simulations of body centered cubic (bcc)/melt interfaces, with particular emphasis on the “width” of the interface. Both static and dynamic properties of single crystal/liquid interfaces are examined. The implications for crystal growth near equilibrium are discussed. The results of these computer “experiments” are compared with an extended density functional theory of the solid-liquid interface.

scholarly journals Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid–Liquid Interface with Computer Simulations

2013 ◽  
Vol 117 (50) ◽  
pp. 16148-16156 ◽  
Author(s):  
Mária Darvas ◽  
Miguel Jorge ◽  
M. Natalia D. S. Cordeiro ◽  
Sofia S. Kantorovich ◽  
Marcello Sega ◽  
...  
Keyword(s):  
Free Energy ◽  
Computer Simulations ◽  
Solvation Free Energy ◽  
Liquid Interface ◽  
Energy Profile ◽  
Free Energy Profile
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