Some problems of interface chemical mechanics
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Updated: Aug 14, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
1Veitsman's Science Project, Room 28, 5/6 Klimashkin Street, Moscow 123557, Russia.
Abstract:
On the basis of quasiton theory an expression was obtained for the potential of interpartical attractive macroforces in a curved interface, being between liquid and gas, for a centrally symmetric case when thickness the DeltaL of the area under study is commensurable with the radius of curvature r(s) of a bubble or a drop. Expressions were also obtained for normal and tangential components of a stress tensor in the interface; using variational principles, it is shown that density profiles in the interface cannot be equilibrium, and there is a probability that the surface tension for the fine bubble or drop may be even negative.
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