High Precision Transport Properties of Cylinders ... - ACS Publications

Aug 4, 2009 - We describe the properties of the triangular tessellations that yield essentially numerically exact properties, with estimated uncertain...
3 downloads 0 Views 2MB Size
6290

Macromolecules 2009, 42, 6290–6299 DOI: 10.1021/ma900453c

High Precision Transport Properties of Cylinders by the Boundary Element Method Sergio R. Aragon* and Dina Flamik Department of Chemistry & Biochemistry, San Francisco State University, San Francisco, California 94132 Received February 28, 2009; Revised Manuscript Received June 24, 2009

ABSTRACT: In this work we apply the boundary element method to obtain very precise computations of the hydrodynamic transport properties for rectangular, sphero, and open cylinders. This work numerically solves the exact integral equations for Stokes flow with stick boundary conditions and includes the tensor values for the translational and rotational diffusion coefficients, and the intrinsic viscosity for three types of cylinders with axial ratios between 1 and 100. We describe the properties of the triangular tessellations that yield essentially numerically exact properties, with estimated uncertainties of 0.07% or better. The data are summarized by fairly simple mathematical expressions as a function of the axial ratio of the cylinders which are constructed to satisfy the correct asymptotic expressions, yielding formulas that are valid for 1 e p