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Issue 21, 2017
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Shear viscosity in hard-sphere and adhesive colloidal suspensions with reverse non-equilibrium molecular dynamics

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Abstract

We employ the reverse non-equilibrium molecular dynamics method (RNEMD) of Müller-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 ϕc dependent viscosity from the dilute limit up to ϕc = 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.

Graphical abstract: Shear viscosity in hard-sphere and adhesive colloidal suspensions with reverse non-equilibrium molecular dynamics

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Publication details

The article was received on 02 Mar 2017, accepted on 29 Apr 2017 and first published on 03 May 2017


Article type: Paper
DOI: 10.1039/C7SM00441A
Citation: Soft Matter, 2017,13, 3909-3917
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    Shear viscosity in hard-sphere and adhesive colloidal suspensions with reverse non-equilibrium molecular dynamics

    M. Cerbelaud, A. Maria Laganapan, T. Ala-Nissila, R. Ferrando and A. Videcoq, Soft Matter, 2017, 13, 3909
    DOI: 10.1039/C7SM00441A

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