Issue 3, 1993
From the journal:

Journal of the Chemical Society, Faraday Transactions

Dynamic simulation of the adsorption of a flexible chain

Maria C. Buján-Núñez  and  Eric Dickinson  

Abstract

We describe a Brownian dynamics simulation of a flexible linear chain of 30 spherical segments adsorbing at a plane surface. The adsorption strength is expressed in terms of a single interaction energy parameter in a triangular segment–surface pair potential. Numerical results are presented for the effect of adsorption strength on the average equilibrium configuration of the adsorbed chain, interpreted in terms of a train–loop–tail representation, and on the chain diffusional behaviour in the vicinity of the interface. A generalization of this model may provide the basis for a convenient dynamical description of the adsorption of deformable macromolecular particles composed of clusters of interacting connected spherical subunits.

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Article information

DOI
https://doi.org/10.1039/FT9938900573
Article type
Paper

J. Chem. Soc., Faraday Trans., 1993,89, 573-577

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Dynamic simulation of the adsorption of a flexible chain

M. C. Buján-Núñez and E. Dickinson, J. Chem. Soc., Faraday Trans., 1993, 89, 573 DOI: 10.1039/FT9938900573

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