Simulation of the dynamics of a macromolecule in a random constraint cage

Bernard J. Geurts, Frederik W. Wiegel

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    We determine the centre of mass diffusion coefficient D and the chain relaxation time T of a macromolecule diffusing through a random constraint cage. This cage models the average topological constraints on the motion of a particular polymer, imposed by the other polymers in the system. The constraint cage consists of regularly spaced constraint lines on a cubic lattice which are “active” with a probability p and absent with a probability 1−p. To a good approximation D≈A(p)N−α(p) and T≈B(p)Nβ(p) if N≫1. The exponents α and β show two regions of very rapid change at pc,1≈0.30 and at pc,2≈0.98.
    Original languageEnglish
    Pages (from-to)57-60
    Number of pages4
    JournalModern physics letters. B
    Issue number01n02
    Publication statusPublished - 1987

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