285818 Linking Thermodynamics and Dynamics in Fluids: Re-Emergence of Excess Entropy Scalings for Transport Properties

Wednesday, October 31, 2012: 1:30 PM
415 (Convention Center )
Thomas M. Truskett, Chemical Engineering and Institute for Theoretical Chemistry, The University of Texas at Austin, Austin, TX

Despite considerable progress in the development of equilibrium theory and simulation methods for estimating the thermodynamic properties of materials, predicting nonequilibrium behavior remains highly nontrivial. In this talk, I discuss approximate excess entropy scaling relationships, first noted in 1977 [1], which provide an apparent link between equilibrium and transport properties of fluids. These relationships, which went largely unnoticed for the first 25 years after their discovery, have become the focus of active study in the past decade. Here, I highlight recent work on theory and application of excess entropy scalings for the description and design of complex fluids [2-6].

[1] Y. Rosenfeld, Phys. Rev. A 15, 2545 (1977)

[2] J. Mittal et al., J. Phys. Chem B 111, 10054 (2007)

[3] G. Goel et al., Phys. Rev. Lett. 100, 106001 (2008)

[4] N. Gnan et al., J. Chem. Phys. 131, 234504 (2009)

[5] W. Krekelberg et al., Phys. Rev. E 80, 061205 (2010)

[6] J. Carmer et al., Soft Matter 8, 4083 (2012)


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