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Smart Brownian dynamics have been used to compute the electrical conductance of aqueous cryptate chloride solutions; the results are compared to experimental data. The numerical simulations take into account both direct and hydrodynamic interactions between ions. Direct interactions are modelled by pairwise soft-core interactions and several interaction potentials are compared; hydrodynamic interactions are evaluated by a modified Rotne-Prager tensor, which can be used even if two particles overlap. It is shown that the experimental data can be interpreted by numerical simulations if the interaction potential between ions contains a short-range attractive contribution in addition to the Coulomb and the short-range repulsive parts.
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Jardat et al. (1999) studied this question.
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