Comparison of approximate methods for calculating the friction coefficient and intrinsic viscosity of nanoparticles and macromolecules

被引:28
|
作者
Mansfield, Marc L. [1 ]
Douglas, Jack F.
Irfan, Saba
Kang, Eun-Hee
机构
[1] Stevens Inst Technol, Dept Chem & Biol Chem, Hoboken, NJ 07030 USA
[2] Natl Inst Stand & Technol, Div Polymers, Gaithersburg, MD 20899 USA
关键词
D O I
10.1021/ma061069f
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
A number of methods for estimating the translational friction coefficient f and the intrinsic viscosity [eta] of polymers and nanoparticles have been proposed. These methods range from first-principles "boundary-element" or "bead-model" solutions of the Stokes equation employing a precise description of particle shape, to coarse-grained descriptions of polymer structures and approximate computational methods at an intermediate level of description, and finally to phenomenological estimates that relate f to the surface area of the particle. Analytic treatments normally involve slender-body and various "preaveraging" approximations, etc., that render the calculation analytically tractable, but numerically uncertain. Powerful numerical path-integral methods have become available in recent years that allow the assessment of the accuracy of the various approximate methods. We compare several methods of computing f and [eta] to determine their applicability to various classes of particle shapes.
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页码:2575 / 2589
页数:15
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