Superadiabatic dynamical density functional theory for colloidal suspensions under homogeneous steady-shear

The superadiabatic dynamical density functional theory (superadiabatic-DDFT) is a promising new method for the study of colloidal systems out-of-equilibrium. Within this approach, the viscous forces arising from interparticle interactions are accounted for in a natural way by explicitly treating the...

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Published inThe Journal of chemical physics Vol. 160; no. 21
Main Authors Tschopp, S. M., Brader, J. M.
Format Journal Article
LanguageEnglish
Published United States American Institute of Physics 07.06.2024
Subjects
Colloids
Density functional theory
Distribution functions
Inhomogeneous systems
Rheological properties
Rheology
Shear
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Summary:The superadiabatic dynamical density functional theory (superadiabatic-DDFT) is a promising new method for the study of colloidal systems out-of-equilibrium. Within this approach, the viscous forces arising from interparticle interactions are accounted for in a natural way by explicitly treating the dynamics of the two-body correlations. For bulk systems subject to spatially homogeneous shear, we use the superadiabatic-DDFT framework to calculate the steady-state pair distribution function and the corresponding viscosity for low values of the shear-rate. We then consider a variant of the central approximation underlying this superadiabatic theory and obtain an inhomogeneous generalization of a rheological bulk theory due to Russel and Gast. This paper thus establishes for the first time a connection between DDFT approaches, formulated to treat inhomogeneous systems, and existing work addressing nonequilibrium microstructure and rheology in bulk colloidal suspensions.
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ISSN:0021-9606
1089-7690
1089-7690
DOI:10.1063/5.0211198