Simulation of Migrative Excitation Trapping in Aromatic Chains with Nonrandom Site Disorder: Trap Location, Fluorescence, and Detrapping

Abstract

A simulation is presnted that microscopically accounts for the role of incoherent excitation transfer in immobile, nonrandom pendent group aromatic polymers (single chain limit). By wing a Monte-Carlo standard routine and master equation simulation software, accurate statistical mechanical averages of the relaxing optical excitation have been calculated for self-avoiding random chains of length N and the excitation survival propability , respectively, have been computed