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Simulation study of Non-ergodicity Transitions: Gelation in Colloidal Systems with Short Range Attractions

Antonio M. Puertas·Matthias Fuchs·Michael E. Cates
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Abstract

Computer simulations were used to study the gel transition occurring in colloidal systems with short range attractions. A colloid-polymer mixture was modelled and the results were compared with mode coupling theory expectations and with the results for other systems (hard spheres and Lennard Jones). The self-intermediate scattering function and the mean squared displacement were used as the main dynamical quantities. Two different colloid packing fractions have been studied. For the lower packing fraction, $α$-scaling holds and the wave-vector analysis of the correlation function shows that gelation is a regular non-ergodicity transition within MCT. The leading mechanism for this novel non-ergodicity transition is identified as bond formation caused by the short range attraction. The time scale and diffusion coefficient also show qualitatively the expected behaviour, although different exponents are found for the power-law divergences of these two quantities. The non-Gaussian parameter was also studied and very large correction to Gaussian behaviour found. The system with higher colloid packing fraction shows indications of a nearby high-order singularity, causing $α$-scaling to fail, but the general expectations for non-ergodicity transitions still hold.

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Antonio M. Puertas, Matthias Fuchs, Michael E. Cates. 2002-11-05. Simulation study of Non-ergodicity Transitions: Gelation in Colloidal Systems with Short Range Attractions. https://doi.org/10.1103/physreve.67.031406

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