Alcanzare-et-al-Revised-Manuscript.pdf (4.18 MB)
Shape and scale dependent diffusivity of colloidal nanoclusters and aggregates
journal contributionposted on 2018-01-19, 14:19 authored by Maria M. Alcanzare, Santtu T. Ollila, Vaibhav Thakore, Aleena M. Laganapan, Arnaud Videcoq, Manuella Cerbelaud, Riccardo Ferrando, Tapio Ala-NissilaTapio 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.
- Mathematical Sciences
Published inEuropean Physical Journal: Special Topics
Pages729 - 739
CitationALCANZARE, 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
- AM (Accepted Manuscript)
Publisher statementThis 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/
NotesThe final publication is available at Springer via http://dx.doi.org/10.1140/epjst/e2015-50263-y