Volume 79, Number 6, September 2007
|Number of page(s)||5|
|Section||Interdisciplinary Physics and Related Areas of Science and Technology|
|Published online||21 August 2007|
High-order correlation contributions to the friction of macromolecules in solution: A semi-phenomenological Fokker-Planck approach
Institut für Physik, Universität Kassel - Heinrich-Plett-Str. 40, D-34132 Kassel, Germany
Corresponding author: firstname.lastname@example.org
Accepted: 29 July 2007
A novel, semi-phenomenological expression is derived for the friction tensor of macromolecules immersed into solution. By making a few realistic assumptions about the interaction of the molecular beads with the particles of the solvent, the friction tensor is expanded into a series of terms which purely depend on the -point correlation functions of the solvent as defined in the kinetic theory of the liquids. In a first application of this series expansion, the boundary condition coefficient is investigated for a single bead in dependence on the strength of the interaction among the solvent particles and with the macromolecule. When compared with previous molecular-dynamical simulations, excellent agreement is found even for a rather strong coupling between the bead and the solvent. Our new semi-phenomenological approach may therefore help extend the study of transport properties towards complex macromolecules in solution and will reduce the computational costs for that by several order of magnitude.
PACS: 82.60.Lf – Thermodynamics of solutions / 82.35.Lr – Physical properties of polymers / 67.40.Fd – Dynamics of relaxation phenomena
© Europhysics Letters Association, 2007
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