Modeling diffusion in colloidal suspensions by dynamical density functional theory using fundamental measure theory of hard spheres

Abstract

We study the dynamics of colloidal suspensions of hard spheres that are subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self and distinct parts of the van Hove function by means of dynamical density functional theory (DDFT). The free energy model for the hard sphere fluid that we use is the very accurate White Bear II version of Rosenfeld's fundamental measure theory. However, in order to remove interactions within the self part of the van Hove function a non-trivial modification has to be applied to the free energy functional. We compare our theoretical results with data that we obtain from dynamical Monte Carlo simulations and find that the latter are well described by our approach even for colloid packing fractions as large as 40%.

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• Perspective: How to overcome dynamical density functional theory
• Dynamical density functional theory for dense suspensions of colloidal hard spheres
• Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres
• Flow of colloidal solids and fluids through constrictions: dynamical density functional theory versus simulation
• Universality in Driven and Equilibrium Hard Sphere Liquid Dynamics
• First-principles superadiabatic theory for the dynamics of inhomogeneous fluids
• Dynamic Pair Correlations and Superadiabatic Forces in a Dense Brownian Liquid
• Order-preserving dynamics in one dimension -- single-file diffusion and caging from the perspective of dynamical density functional theory
• Superadiabatic forces in the dynamics of the one-dimensional Gaussian core model
• Dynamic Decay and Superadiabatic Forces in the van Hove Dynamics of Bulk Hard Sphere Fluids
• Dynamical properties of heterogeneous nucleation of parallel hard squares
• Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
• Single-file transport of binary hard-sphere mixtures through periodic potentials