Calculation of hydrodynamic properties of macromolecular bead models with overlapping spheres

被引:43
作者
Carrasco, B
de la Torre, JG [1 ]
Zipper, P
机构
[1] Univ Murcia, Fac Quim, Dept Quim Fis, E-30071 Murcia, Spain
[2] Graz Univ, Inst Phys Chem, A-8010 Graz, Austria
来源
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS | 1999年 / 28卷 / 06期
关键词
bead model; rigid macromolecules; overlapping; diffusion coefficients; intrinsic viscosity;
D O I
10.1007/s002490050233
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
For the calculation of hydrodynamic properties of rigid macromolecules using bead modelling, models with overlapping beads of different sizes are used in some applications. The hydrodynamic interaction tensor between unequal overlapping beads is unknown, and an oversimplified treatment with the Oseen tensor may introduce important errors. Here we discuss some aspects of the overlapping problem, and explore an ad hoc form of the interaction tensor, proposed by Zipper and Durchschlag. We carry out a systematic numerical study of the hydrodynamic properties of a two-spheres model, showing how the Zipper-Durchschlag correction removes efficiently the numerical instabilities, and predicts the correct limits.
引用
收藏
页码:510 / 515
页数:6
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