The role of the isothermal bulk modulus in the molecular dynamics of super-cooled liquids.

نویسندگان

  • Anthony N Papathanassiou
  • Ilias Sakellis
  • John Grammatikakis
  • C Michael Roland
چکیده

Elastic models imply that the energy expended for a flow event in ultra-viscous matter coincides with the elastic work required for deforming and re-arranging the environment of the moving entity. This is quite promising for explaining the strong non-Arrhenius behavior of dynamic quantities of fragile super-cooled liquids. We argue that the activation volume obtained from dielectric relaxation and light-scattering experiments for super-cooled liquids should scale with the Gibbs free energy of activation, with a proportionality constant determined by the isothermal bulk modulus and its pressure derivative, as described by an earlier thermodynamic elastic model. For certain super-cooled liquids the bulk compression transpiring in the local environment, as governed by the isothermal bulk modulus, play a significant role in the reorientational dynamics, with far-field density fluctuations and volume changes avoided by shear deformation.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 135 24  شماره 

صفحات  -

تاریخ انتشار 2011