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Monte Carlo simulation and integral-equation studies of a fluid of charged hard spheres near the critical region
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Citations
21
References
1995
Year
EngineeringFluid MechanicsParticle MethodLow DensityComputational ChemistryChemistryTheoretical ElectrochemistryRestricted Primitive ModelNumerical SimulationRheologyCritical RegionHard SpheresSolid-state IonicDetailed Monte CarloPhysicsMonte CarloPhysical ChemistryMonte Carlo SimulationQuantum ChemistryMultiphase FlowElectrochemistryAb-initio MethodNatural SciencesMonte Carlo MethodApplied PhysicsFundamental ElectrochemistryFluid-solid InteractionIon Structure
A detailed Monte Carlo and integral-equation study of the behavior of the restricted primitive model of electrolytes near the critical region is presented. Our simulation results furnish information concerning cluster formation in the low density--high ionic strength region. Additionally, bridge functions have been extracted from the simulated pair correlation functions by means of an iterative procedure. These ``exact'' bridge functions have been compared with the results of a recently proposed integral equation [D. M. Duh and A. D.-J. Haymet, J. Chem. Phys. 97, 7716 (1992)], which has been solved using both a Coulombic and an optimized decomposition of the interionic potential.
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