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 Jjournal_title
Biophysical journalauthors
Carrasco B,García de la Torre Jdoi
10.1016/S0006-3495(99)77457-6subject
Has Abstractpub_date
1999-06-01 00:00:00pages
3044-57issue
6eissn
0006-3495issn
1542-0086pii
S0006-3495(99)77457-6journal_volume
76pub_type
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