Diffusion at interfaces

Diffusion at the liquid-vapour interface is both interesting and controversial. The very definition of particles "at" the interface is difficult. The diffusion coefficient will in this case be a diagonal tensor; two of its elements are equal and correspond to parallel diffusion (along the interface), the third one corresponds to normal, or perpendicular diffusion (across the interface). Since the particles are continuously leaving and entering the interfacial region, it is also important to study this dynamical process by, e.g., the residence time.

Typically, slabs corresponding to the interfacial region are obtained, and diffusion processes are considered for each of them separately. The three Cartesian components may be mixed [1,8], or separated, as in most of the other references below. Sometimes diffusion is only tracked down for times shorter than the residence time [5,8]. The work by Liu et al. [10] employs a refined treatment using Smoluchowski equations. Its subtlety, combined by the application to perhaps the most interesting system, the liquid water surface, makes this reference quite important. See also Ref [17] (still unpublished) for a criticism of these techniques, and a consideration of the problem from the point of view of the intrinsic surface.

Systems

pure system	Ref
ST-2 Water	[2]
TIP4P/FQ Water	[9], [11]
SPC/E Water	[5]
Dimethyl sulfoxide	[7]
Ethanol	[8]
liquid metals	[13]

Mixtures:

mixture	Ref
two inmiscible LJs	[1], [10]
water/1,2-dichloroethane	[3]
water/nitrobenzene	[6]
surfactants on water	[16]
ions at surfaces	[12]

Confined fluids:

system	Ref
water on surfaces	[4]
LJ on solid	[15]
water diffusion across chanels	[14]

References

Diffusion at interfaces

Systems

References

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