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

Manuella Cerbelaud*, Aleena Maria Laganapan, Tapio Ala-Nissilä, Riccardo Ferrando, Arnaud Videcoq

*Tämän työn vastaava kirjoittaja

Tutkimustuotos: LehtiartikkeliArticleScientificvertaisarvioitu

4 Sitaatiot (Scopus)

Abstrakti

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 c dependent viscosity from the dilute limit up to c = 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.

AlkuperäiskieliEnglanti
Sivut3909-3917
Sivumäärä9
JulkaisuSoft Matter
Vuosikerta13
Numero21
DOI - pysyväislinkit
TilaJulkaistu - 2017
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

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