PMID: 12786155Jun 6, 2003Paper

Diffusion and viscosity in a supercooled polydisperse system

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Rajesh K Murarka, Biman Bagchi

Abstract

We have carried out extensive molecular dynamics simulations of a supercooled polydisperse Lennard-Jones liquid with large variations in temperature at a fixed pressure. The particles in the system are considered to be polydisperse in both size and mass. The temperature dependence of dynamical properties such as the viscosity (eta) and the self-diffusion coefficients (D(i)) of different size particles is studied. Both viscosity and diffusion coefficients show super-Arrhenius temperature dependence and fit well to the well-known Vogel-Fulcher-Tammann equation. Within the temperature range investigated, the value of Angell's fragility parameter (D approximately 1.4) classifies the present system as a very fragile liquid. The critical temperature for diffusion (T(D(i))(o)) increases with the size of the particles. The critical temperature for viscosity (T(eta)(o)) is larger than that for diffusion, and sizable deviations appear for the smaller size particles, implying a decoupling of translational diffusion from viscosity in deeply supercooled liquids. Indeed, the diffusion shows markedly non-Stokesian behavior at low temperatures where a highly nonlinear dependence on size is observed. An inspection of the trajectories of the par...Continue Reading

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Citations

Aug 6, 2018·The European Physical Journal. E, Soft Matter·Anshul D S ParmarSrikanth Sastry
Dec 31, 2008·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Sneha Elizabeth Abraham, Biman Bagchi
Apr 7, 2010·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Sneha Elizabeth Abraham, Biman Bagchi
Jun 13, 2015·The Journal of Physical Chemistry. B·Trond S Ingebrigtsen, Hajime Tanaka
Jul 21, 2006·The Journal of Physical Chemistry. B·David R ReichmanPhillip L Geissler

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