corner
corner

Phys. Rev. E 71, 031204 (2005) [5 pages]

Inherent structures and Kauzmann temperature of confined liquids

Download: PDF (55 kB) Buy this article Export: BibTeX or EndNote (RIS)

A. Attili1, P. Gallo1,2,*, and M. Rovere1,2
1Dipartimento di Fisica, Università “Roma Tre,” Via della Vasca Navale 84, 00146 Roma, Italy
2INFM Roma Tre and Democritos National Simulation Center, Via della Vasca Navale 84, 00146 Roma, Italy

Received 20 December 2004; published 21 March 2005

Calculations of the thermodynamical properties of a supercooled liquid confined in a matrix are performed with an inherent structure analysis. The liquid entropy is computed by means of a thermodynamical integration procedure. The contributions to the free energy of the liquid can be decoupled also in confinement in the configurational and the vibrational parts. We show that the vibrational entropy can be calculated in the harmonic approximation as in the bulk case. The Kauzmann temperature of the confined system is estimated from the behavior of the configurational entropy.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.71.031204
DOI:
10.1103/PhysRevE.71.031204
PACS:
61.20.Ja, 61.20.Ne, 64.70.Pf

*Author to whom correspondence should be addressed. Email address: gallop@fis.uniroma3.it