Journal Article

·2001 OPEN ACCESS

The bridge functions of molten salts

Çetin Taşseven YTU , L. González , M. Silbert , Olga Alcaraz , Joaquim Trullàs

The Journal of Chemical Physics

Abstract

The bridge functions of molten NaCl and AgI near melting were obtained by using the model potentials of Born–Huggins–Mayer for NaCl and Vashishta–Rahman for AgI. The calculations of the bridge functions involved molecular dynamics simulations, the extension of the procedure originally proposed by Poll et al. [Phys. Rev. A 37, 1672 (1988)] and the numerical solution of the Ornstein–Zernike equations. The calculated bridge functions do not conform with the universality ansatz. They also differ from the bridge functions obtained for model electrolytes. Following the results obtained for electrolytes and those of this work for molten salts, it is conjectured that the universality ansatz for the bridge functions does not apply for systems whose attractive interactions play a decisive role in their structural ordering.

Keywords

Ansatz Universality (dynamical systems) Electrolyte Thermodynamics Bridge (graph theory) Chemistry Statistical physics Physics Mathematical physics Mathematics Physical chemistry Condensed matter physics

Subject Areas

Material Dynamics and Properties ·Materials Chemistry ·Physical Sciences
Thermodynamic properties of mixtures ·Fluid Flow and Transfer Processes ·Physical Sciences
Spectroscopy and Quantum Chemical Studies ·Atomic and Molecular Physics, and Optics ·Physical Sciences

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