Derivation and validation of mesoscopic theories for diffusion of interacting molecules

Citation
Dg. Vlachos et Ma. Katsoulakis, Derivation and validation of mesoscopic theories for diffusion of interacting molecules, PHYS REV L, 85(18), 2000, pp. 3898-3901
Citations number
13
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
85
Issue
18
Year of publication
2000
Pages
3898 - 3901
Database
ISI
SICI code
0031-9007(20001030)85:18<3898:DAVOMT>2.0.ZU;2-Q
Abstract
A mesoscopic theory for diffusion of molecules interacting with a long-rang e potential is derived for Arrhenius microscopic dynamics. Gradient Monte C arlo simulations are presented on a one-dimensional lattice to assess the v alidity of the mesoscopic theory. Results are compared for Metropolis and A rrhenius microscopic dynamics. Non-Fickian behavior is demonstrated and it is shown that microscopic dynamics dictate the steady-state concentration p rofiles.