Diffusion maximum as a function of size in dense liquids

Ghorai, Pradip Kr. ; Anil Kumar, A. V. ; Sastry, Srikanth ; Yashonath, S. (2005) Diffusion maximum as a function of size in dense liquids Physical Review E - Statistical, Nonlinear and Soft Matter Physics, 72 (3). 030202_1-030202_4. ISSN 1539-3755

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Official URL: http://pre.aps.org/abstract/PRE/v72/i3/e030202

Related URL: http://dx.doi.org/10.1103/PhysRevE.72.030202


We study the diffusion of small guest particles of different sizes in a host fluid at liquid densities using molecular dynamics simulations. We observe an enhancement of the diffusivity of guest particles for a size related to the structure of the void space of the host fluid, analogous to the "levitation effect" observed for guest diffusion in porous solids. Friction and activation energy are found to be minimum for the guest size with maximum self-diffusivity. Wavelength dependent self-diffusivity indicates a monotonic and oscillatory dependence on wave number k for anomalous and linear regimes, respectively. These are associated with single and bi-exponential decay of the incoherent intermediate scattering function.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:55677
Deposited On:18 Aug 2011 15:08
Last Modified:10 May 2012 10:05

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