Position-dependent and pair diffusivity profiles from steady-state solutions of color reaction-counterdiffusion problems

Autor: Carmer, James, van Swol, Frank, Truskett, Thomas M.
Rok vydání: 2014
Předmět:
Zdroj: Journal of Chemical Physics 141, 046101 (2014)
Druh dokumentu: Working Paper
DOI: 10.1063/1.4890969
Popis: We show how the steady-state solution of the Smoluchowski (Fokker-Planck) equation for a color reaction-counterdiffusion problem, together with equilibrium trajectory information (e.g., from molecular simulations or confocal microscopy experiments), can be used to determine position-dependent or pair diffusivity profiles for condensed phases directly without the need for Bayesian inference, likelihood maximization, or the analysis of time-dependent data.
Comment: 5 pages, 3 figures
Databáze: arXiv