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- W2012086589 abstract "The translational diffusion constant D0(λ) of chain polymers has been evaluated for models that contain internal friction measured by a strength parameter λ. D0(λ) is an upper bound to the true diffusion constant D(λ). The method of evaluation is based on the facts that the power series expansion of D0(λ) in λ is a series of Stieltjes, and the coefficients in this power series permit a rapid evaluation from equilibrium simulations. Convergent Padé approximants are therefore available. Results are reported for theta point chains with N beads, including Gaussian and lattice models, with N≤1792. In the limit λ→∞, D0(λ) approaches the translational diffusion constant of a chain that diffuses as a rigid body, and this diffusion constant D0(∞) is known to be a lower bound to D(λ). The two main findings are these: First, D0(∞) is approached very closely by D0(λ) for fairly modest values of λ, comparable in size to ordinary bead friction constants. Second, the ratio RG/RH of radius of gyration to hydrodynamic radius, which is the same as D0(λ)/D0(0), seems to have a limit at N→∞ which depends on the backbone model, and probably depends on the bead friction constant. That is, as a result of fluctuations in hydrodynamic interaction the translational diffusion constant fails to satisfy universality. The deviations seem to be rather small for this transport property, on the order of 5%." @default.
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- W2012086589 date "1986-04-01" @default.
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- W2012086589 title "Translational diffusion of chain polymers. II. Effect of internal friction" @default.
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- W2012086589 doi "https://doi.org/10.1063/1.450071" @default.
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