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
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.