DYNAMIC SIMULATION OF THE ADSORPTION OF A FLEXIBLE CHAIN

被引:4
作者
BUJANNUNEZ, MC
DICKINSON, E
机构
[1] UNIV LEEDS,PROCTER DEPT FOOD SCI,LEEDS LS2 9JT,W YORKSHIRE,ENGLAND
[2] UNIV SANTIAGO COMPOSTELA,DEPT PHYS CHEM,E-15706 SANTIAGO,SPAIN
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1993年 / 89卷 / 03期
关键词
D O I
10.1039/ft9938900573
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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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页码:573 / 577
页数:5
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