• Solvation forces in ionic and neutral liquids: A density functional approach

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    • Keywords


      Density functional theory; solvation force; electric double layer; weighted density approach

    • Abstract


      The solvation forces between two planar charged surfaces in ionic solutions, corresponding to charged and neutral hard spheres representing the ions and the solvent, respectively, are studied here using a weighted density functional theory for inhomogeneous Coulomb systems developed by us recently. The hard sphere contributions to the one-particle correlation function are evaluated nonperturbatively using a position-dependent effective density, while the electrical contributions are obtained through a perturbative expansion around this weighted density. The calculated results on the solvation forces between two charged hard walls compare well with available simulation results for ionic systems. For a neutral system, the present results show good agreement with the experimentally observed oscillating forces for two mica surfaces in octamethylcyclotetrasiloxane. The present approach thus provides a direct route to the calculation of interaction energies between colloidal particles.

    • Author Affiliations


      Chandra N Patra1 Swapan K Ghosh1

      1. Heavy Water Division, Bhabha Atomic Research Centre, Bombay - 400 085, India
    • Dates

  • Journal of Chemical Sciences | News

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