Connecting systems with short and long ranged interactions: Local molecular field theory for ionic fluids

Article Abstract:

A uniform system of charged hard spheres in a uniform neutralizing background are studied to present them in simple form. It is observed that at low densities, the local molecular field (LMF) theory reduces to a generalized version of the Poisson-Boltzmann approximation, but the predicted structure factor satisfies the exact Stillinger-Lovett moment conditions, and with optimal choice of gamma the lowest order approximation remains accurate for much stronger couplings.

Author: Weeks, John D., Yng-gwei Chen, Kaur, Charanbir
Chemistry, Physical and theoretical, Physical chemistry, Fluids, Ionization, Chemical properties, Poisson distribution

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Structural of nonuniform hard sphere fluids from shifted linear truncations of functional expansions

Article Abstract:

A brief description on the approximate methods for determining the structure and thermodynamics of nonuniform hard sphere fluids in a general external field phi(r) is presented. The findings indicate that the hydrostatic linear response (HLR) equation gives exact results for very slowly varying phi(r) and reduces to the Percus-Yevick (PY) approximation for hard core phi(r).

Author: Weeks, John D., Yng-Gwei Chen
Thermodynamics, Hydrostatics

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Subjects list: Research
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