Nonequilibrium molecular dynamics simulation of diffusion at the liquid-liquid interface
نویسندگان
چکیده
منابع مشابه
Nonequilibrium molecular dynamics simulation of diffusion at the liquid-liquid interface.
Molecular Dynamics simulations are performed to study the dynamical properties of molecules in the presence of a liquid-liquid (L/L) interface. In the vicinity of the interface the movement of the particles, coupled with the thermal fluctuations of the interface, can make the evaluation of properties such as the self-diffusion coefficient, particularly difficult. We explore the use of the Evans...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4897159