Title of article :
A conformal solution theory for the energy landscape and glass transition of mixtures
Author/Authors :
Scott Shell، نويسنده , , Lynn M. and Debenedetti، نويسنده , , Pablo G. and Panagiotopoulos، نويسنده , , Athanassios Z.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Pages :
8
From page :
147
To page :
154
Abstract :
We apply conformal solution theory and extend to mixtures a recently derived equation of state for glass-forming liquids. The equation of state is based on the statistical properties of the multidimensional potential energy surface as a function of a macroscopic system’s degrees of freedom (energy landscape), and allows the calculation of an ideal glass transition locus, along which the configurational entropy vanishes. The landscape mixing approach yields an expression for the composition dependence of the mixture’s glass transition. A non-monotonic composition dependence is predicted by the theory for the glass transition of a binary Lennard–Jones mixture. The composition dependence of species diffusivities obtained by molecular dynamics simulation of this mixture is consistent with the theoretical prediction.
Keywords :
Glass transition , Energy landscapes , Conformal solution theory , Supercooled liquids , Molecular dynamics simulations
Journal title :
Fluid Phase Equilibria
Serial Year :
2006
Journal title :
Fluid Phase Equilibria
Record number :
1985748
Link To Document :
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