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In this work, we conduct a comprehensive simulation study on Helmholtz energies for non-primitive model electrolyte solutions in order to assess fluid theories. Simulation data is obtained with two different methods. Using a new thermodynamic integration path, we calculate Helmholtz energy contributions arising from damped, short-ranged electrostatic pair potentials. The division of the potential...
Mixtures of charged and dipolar hard spheres are important models for electrolyte solutions, in particular for developing molecular-based fluid theories. This study presents data for the ionic chemical potential from Monte Carlo simulations for mixtures where charged and dipolar hard spheres have the same diameter. Earlier simulation studies of this model focus on Helmholtz energy and internal energy...
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