Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2007-11-02
J. Chem. Phys. 128 204504 (2008)
Physics
Condensed Matter
Soft Condensed Matter
Scientific paper
10.1063/1.2925686
Hard spheres interacting through a square-well potential were simulated using two different methods: Brownian Cluster Dynamics (BCD) and Event Driven Brownian Dynamics (EDBD). The structure of the equilibrium states obtained by both methods were compared and found to be almost the identical. Self diffusion coefficients ($D$) were determined as a function of the interaction strength. The same values were found using BCD or EDBD. Contrary the EDBD, BCD allows one to study the effect of bond rigidity and hydrodynamic interaction within the clusters. When the bonds are flexible the effect of attraction on $D$ is relatively weak compared to systems with rigid bonds. $D$ increases first with increasing attraction strength, and then decreases for stronger interaction. Introducing intra-cluster hydrodynamic interaction weakly increases $D$ for a given interaction strength. Introducing bond rigidity causes a strong decrease of $D$ which no longer shows a maximum as function of the attraction strength.
Babu Sujin
Gimel Jean Christophe
Michele Carlo de
Nicolai Taco
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