Calculation of hydrodynamic properties of macromolecular bead models with overlapping spheres.
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.
Carrasco
B
B
Departamento de Química Física, Facultad de Química, Universidad de Murcia, E-30071 Murcia, Spain.
García de la Torre
J
J
Zipper
P
P
D055592:Biophysical Phenomena; D001703:Biophysics; D003198:Computer Simulation; D004058:Diffusion; D019281:Dimerization; D046911:Macromolecular Substances; D008958:Models, Molecular; D008968:Molecular Conformation; D012212:Rheology
D046911:Macromolecular Substances