A molecular dynamics study of CCl{sub 4}-H{sub 2}O liquid/liquid interfaces with polarizable potentials
Conference
·
OSTI ID:370011
- Pacific Northwest National Lab., Richland, WA (United States)
We carried out classical molecular dynamics simulations to study the equilibrium properties of the CCl{sub 4}-H{sub 2}O liquid/liquid interface at room temperature with polarizable interaction potentials. The structures of the interfaces are characterized by the molecular density profiles, radial distribution functions, interface thickness, and the molecular orientation analyses. The electrical properties of the interface are examined via the dipole distributions as a function of the distance normal to the interface. It is found that the presence of the interface has pronounced effects on the induced dipole moments of CCl{sub 4} and H{sub 2}O molecules. Results of the ordering of surfactant molecules adsorbed at this interface will also be discussed.
- OSTI ID:
- 370011
- Report Number(s):
- CONF-960376--
- Country of Publication:
- United States
- Language:
- English
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