Generalization of Clausius-Mossotti approximation in application to short-time transport properties of suspensions

Makuch, Karol

doi:10.1103/physreve.92.042317

Cited by 1 publication

(2 citation statements)

References 62 publications

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“…Various semi-analytic theoretical schemes for calculating H(q) are discussed in the literature, based on approximations for µ lj (see, e.g. [2,23,73,74]). Our method of calculating H(q) semi-analytically is an improved, self-part corrected version of the δγ method by Beenakker and Mazur [38,39], described in detail in [23].…”

Section: B Self-part Corrected δγ Methodsmentioning

confidence: 99%

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Short- and long-time diffusion and dynamic scaling in suspensions of charged colloidal particles

Banchio

Heinen

Holmqvist

et al. 2018

The Journal of Chemical Physics

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We report on a comprehensive theory-simulation-experimental study of collective and self-diffusion in concentrated suspensions of charge-stabilized colloidal spheres. In theory and simulation, the spheres are assumed to interact directly by a hard-core plus screened Coulomb effective pair potential. The intermediate scattering function, f(q, t), is calculated by elaborate accelerated Stokesian dynamics (ASD) simulations for Brownian systems where many-particle hydrodynamic interactions (HIs) are fully accounted for, using a novel extrapolation scheme to a macroscopically large system size valid for all correlation times. The study spans the correlation time range from the colloidal short-time to the long-time regime. Additionally, Brownian Dynamics (BD) simulation and mode-coupling theory (MCT) results of f(q, t) are generated where HIs are neglected. Using these results, the influence of HIs on collective and self-diffusion and the accuracy of the MCT method are quantified. It is shown that HIs enhance collective and self-diffusion at intermediate and long times. At short times self-diffusion, and for wavenumbers outside the structure factor peak region also collective diffusion, are slowed down by HIs. MCT significantly overestimates the slowing influence of dynamic particle caging. The dynamic scattering functions obtained in the ASD simulations are in overall good agreement with our dynamic light scattering (DLS) results for a concentration series of charged silica spheres in an organic solvent mixture, in the experimental time window and wavenumber range. From the simulation data for the time derivative of the width function associated with f(q, t), there is indication of long-time exponential decay of f(q, t), for wavenumbers around the location of the static structure factor principal peak. The experimental scattering functions in the probed time range are consistent with a time-wavenumber factorization scaling behavior of f(q, t) that was first reported by Segrè and Pusey [Phys. Rev. Lett. 77, 771 (1996)] for suspensions of hard spheres. Our BD simulation and MCT results predict a significant violation of exact factorization scaling which, however, is approximately restored according to the ASD results when HIs are accounted for, consistent with the experimental findings for f(q, t). Our study of collective diffusion is amended by simulation and theoretical results for the self-intermediate scattering function, f(q, t), and its non-Gaussian parameter α(t) and for the particle mean squared displacement W(t) and its time derivative. Since self-diffusion properties are not assessed in standard DLS measurements, a method to deduce W(t) approximately from f(q, t) is theoretically validated.

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Section: B Self-part Corrected δγ Methodsmentioning

confidence: 99%

“…Various semi-analytic theoretical schemes for calculating H(q) are discussed in the literature, based on approximations for µ lj (see, e.g. [2,23,73,74]).…”

Section: B Self-part Corrected δγ Methodsmentioning

confidence: 99%