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Shape and scale dependent diffusivity of colloidal nanoclusters and aggregates

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posted on 19.01.2018 by Maria M. Alcanzare, Santtu T. Ollila, Vaibhav Thakore, Aleena M. Laganapan, Arnaud Videcoq, Manuella Cerbelaud, Riccardo Ferrando, Tapio Ala-Nissila
© 2016, EDP Sciences and Springer.The diffusion of colloidal nanoparticles and nanomolecular aggregates, which plays an important role in various biophysical and physicochemical phenomena, is currently under intense study. Here, we examine the shape and size dependent diffusion of colloidal nano- particles, fused nanoclusters and nanoaggregates using a hybrid fluctuating lattice Boltzmann-Molecular Dynamics method. We use physically realistic parameters characteristic of an aqueous solution, with explicitly implemented microscopic no-slip and full-slip boundary conditions. Results from nanocolloids below 10 nm in radii demonstrate how the volume fraction of the hydrodynamic boundary layer influences diffusivities. Full-slip colloids are found to diffuse faster than no-slip particles. We also characterize the shape dependent anisotropy of the diffusion coefficients of nanoclusters through the Green-Kubo relation. Finally, we study the size dependence of the diffusion of nanoaggregates comprising N ≤ 108 monomers and demonstrate that the diffusion coefficient approaches the continuum scaling limit of N−1/3.

History

School

  • Science

Department

  • Mathematical Sciences

Published in

European Physical Journal: Special Topics

Volume

225

Issue

4

Pages

729 - 739

Citation

ALCANZARE, M.M. ...et al., 2016. Shape and scale dependent diffusivity of colloidal nanoclusters and aggregates. European Physical Journal: Special Topics, 225(4), pp. 729-739.

Publisher

© EDP Sciences, Springer Verlag

Version

AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Acceptance date

02/05/2016

Publication date

2016

Notes

The final publication is available at Springer via http://dx.doi.org/10.1140/epjst/e2015-50263-y

ISSN

1951-6355

eISSN

1951-6401

Language

en

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