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Intrinsic viscosity of macromolecules within the generalized Rotne–Prager–Yamakawa approximation

Published online by Cambridge University Press:  02 June 2017

Pawel J. Zuk
Affiliation:
Department of Mechanics and Physics of Fluids, Institute of Fundamental and Technological Research, Polish Academy of Sciences, Pawinskiego 5B, 02-106 Warsaw, Poland
Bogdan Cichocki
Affiliation:
Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland
Piotr Szymczak*
Affiliation:
Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland
*
Email address for correspondence: [email protected]

Abstract

We develop a generalized Rotne–Prager–Yamakawa approximation for the dipolar components of the inverse friction matrix and use it for calculating the intrinsic viscosity of rigidly connected bead conglomerates. Such bead models are commonly used in the calculation of hydrodynamic properties of macromolecules. We consider both the case of non-overlapping constituent beads as well as overlapping beads of different sizes. We demonstrate the accuracy of the approximation in two test cases and show that it performs well even if the distances between the beads are small or if the beads overlap. Robust performance of this approximation in the case of overlapping beads stems from its correct limiting behaviour at a complete overlap, with one sphere fully immersed in the other. The generalized Rotne–Prager–Yamakawa approximation is thus well suited for evaluation of intrinsic viscosity, which is a key quantity in characterizing molecular conformations of biological macromolecules.

Type
Rapids
Copyright
© 2017 Cambridge University Press 

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