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Title: Shear viscosity in hard-sphere and adhesive colloidal suspensions with reverse non-equilibrium molecular dynamics
Authors: Cerbelaud, Manuella
Laganapan, Aleena M.
Ala-Nissila, Tapio
Ferrando, Riccardo
Videcoq, Arnaud
Issue Date: 2017
Publisher: © Royal Society of Chemistry
Citation: CERBELAUD, M. ... et al, 2017. Shear viscosity in hard-sphere and adhesive colloidal suspensions with reverse non-equilibrium molecular dynamics. Soft Matter, 13 (21), pp. 3909-3917.
Abstract: We employ the reverse non-equilibrium molecular dynamics method (RNEMD) of Muller-Plathe [Phys. Rev. E, 1999, 59, 4894] to calculate the shear viscosity of colloidal suspensions within the stochastic rotation dynamics-molecular dynamics (SRD-MD) simulation method. We examine the influence of different coupling schemes in SRD-MD on the colloidal volume fraction fc dependent viscosity from the dilute limit up to fc = 0.3. Our results demonstrate that the RNEMD method is a robust and reliable method for calculating rheological properties of colloidal suspensions. To obtain quantitatively accurate results beyond the dilute regime, the hydrodynamic interactions between the effective fluid particles in the SRD and the MD colloidal particles must be carefully considered in the coupling scheme. We benchmark the method by comparing with the hard sphere suspension case, and then calculate relative viscosities for colloids with mutually attractive interactions. We show that the viscosity displays a sharp increase at the onset of aggregation of the colloidal particles with increasing volume fraction and attraction.
Description: This paper was published in the journal Soft Matter and the definitive published version is available at http://dx.doi.org/10.1039/C7SM00441A.
Sponsor: The authors thank CALI and its team for providing the computational facilities (CALI has been financed by the region Limousin, the institutes XLIM, IPAM, GEIST, and the University of Limoges). Fig. 5 has been obtained by VMD.30 T. A.-N. has been in part supported by the Academy of Finland through the COMP CoE project numbers 251748 and 284621. R. F. acknowledges support from the University of Limoges for a visiting position.
Version: Accepted for publication
DOI: 10.1039/C7SM00441A
URI: https://dspace.lboro.ac.uk/2134/25717
Publisher Link: http://dx.doi.org/10.1039/C7SM00441A
ISSN: 1744-683X
Appears in Collections:Published Articles (Maths)

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