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

Bernard J. Geurts; Frederik W. Wiegel

doi:10.1142/S0217984987000089

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

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Abstract

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 language	English
Pages (from-to)	57-60
Number of pages	4
Journal	Modern physics letters. B
Volume	1
Issue number	01n02
DOIs	https://doi.org/10.1142/S0217984987000089
Publication status	Published - 1987

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10.1142/S0217984987000089

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title = "Simulation of the dynamics of a macromolecule in a random constraint cage",

abstract = "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.",

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T1 - Simulation of the dynamics of a macromolecule in a random constraint cage

AU - Geurts, Bernard J.

AU - Wiegel, Frederik W.

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N2 - 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.

AB - 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.

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DO - 10.1142/S0217984987000089

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JO - Modern physics letters. B

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