Derivation and validation of mesoscopic theories for diffusion of interacting moleculesPHYSICAL REVIEW LETTERS
AbstractA mesoscopic theory for diffusion of molecules interacting with a long-range potential is derived for Arrhenius microscopic dynamics. Gradient Monte Carlo simulations are presented on a one-dimensional lattice to assess the validity of the mesoscopic theory. Results are compared for Metropolis and Arrhenius microscopic dynamics. Non-Fickian behavior is demonstrated and it is shown that microscopic dynamics dictate the steady-state concentration profiles.
Citation InformationDG Vlachos and MA Katsoulakis. "Derivation and validation of mesoscopic theories for diffusion of interacting molecules" PHYSICAL REVIEW LETTERS Vol. 85 Iss. 18 (2000)
Available at: http://works.bepress.com/markos_katsoulakis/49/