Alcanzare-et-al-Revised-Manuscript.pdf (4.18 MB)
Shape and scale dependent diffusivity of colloidal nanoclusters and aggregates
journal contribution
posted 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.
History
School
- Science
Department
- Mathematical Sciences
Published in
European Physical Journal: Special TopicsVolume
225Issue
4Pages
729 - 739Citation
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 VerlagVersion
- 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
2016-05-02Publication date
2016Notes
The final publication is available at Springer via http://dx.doi.org/10.1140/epjst/e2015-50263-yISSN
1951-6355eISSN
1951-6401Publisher version
Language
- en