Abstract
Monte Carlo (MC) simulations of electronic excitation transfer (EET) among a small number of chromophores covalently incorporated into copolymer molecules are presented and used to test the results of previously developed analytical EET theories that are useful for the study of polymer chain structure [K. A. Peterson and M. D. Fayer, J. Chem. Phys. 85, 4702 (1986)] and phase separation in polymer blends [A. H. Marcus and M. D. Fayer, J. Chem. Phys. 94, 5622 (1991)]. The simulations and theory account for EET among chromophores bound to a single chain and among chromophores attached to different chains. The calculated quantity, 〈Gs(t)〉, which is the probability that an initially excited chromophore is still excited at time t, is related to time-resolved fluorescence depolarization experiments. The theories, particularly the treatment of interchain EET, depend on a series of approximations whose efficacy has not been determined. Close agreement between the MC simulations and the analytical theory are found for a variety of situations, including those that mimic real polymer systems. The limits beyond which agreement is weakened provide specific guidelines for the design of polymer structure and phase-separation experiments.
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