Hydrodynamic properties of rigid particles: comparison of different modeling and computational procedures.

Abstract:

:The hydrodynamic properties of rigid particles are calculated from models composed of spherical elements (beads) using theories developed by Kirkwood, Bloomfield, and their coworkers. Bead models have usually been built in such a way that the beads fill the volume occupied by the particles. Sometimes the beads are few and of varying sizes (bead models in the strict sense), and other times there are many small beads (filling models). Because hydrodynamic friction takes place at the molecular surface, another possibility is to use shell models, as originally proposed by Bloomfield. In this work, we have developed procedures to build models of the various kinds, and we describe the theory and methods for calculating their hydrodynamic properties, including approximate methods that may be needed to treat models with a very large number of elements. By combining the various possibilities of model building and hydrodynamic calculation, several strategies can be designed. We have made a quantitative comparison of the performance of the various strategies by applying them to some test cases, for which the properties are known a priori. We provide guidelines and computational tools for bead modeling.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Carrasco B,García de la Torre J

doi

10.1016/S0006-3495(99)77457-6

subject

Has Abstract

pub_date

1999-06-01 00:00:00

pages

3044-57

issue

6

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(99)77457-6

journal_volume

76

pub_type

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