English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Within Kirkwood theory, we study the translational diffusion coefficient of asingle polymer chain in dilute solution, and focus on the small differencebetween the short--time Kirkwood value $D^{(K)}$ and the asymptotic long--timevalue $D$. We calculate this correction term by highly accurate large--scaleBrownian Dynamics simulations, and show that it is in perfect agreement withthe rigorous variational result $D < D^{(K)}$, and with Fixman's Green--Kuboformula, which is re--derived. This resolves the puzzle posed by earliernumerical results (Rey {\em et al.}, Macromolecules 24, 4666 (1991)), whichrather seemed to indicate $D > D^{(K)}$; the older data are shown to haveinsufficient statistical accuracy to resolve this question. We then discuss theGreen--Kubo integrand in some detail. This function behaves very differentlyfor pre--averaged vs. fluctuating hydrodynamics, as shown for the initial valueby analytical considerations corroborated by numerical results. We also presentfurther numerical data on the chain's statics and dynamics.Comment: submitted to Journal of Chemical Physic

Translational diffusion of polymer chains with excluded volume and hydrodynamic interactions by Brownian dynamics simulation