The structure of molten AgCl revisited
Source abstract
Abstract
We have studied the total structure of molten AgCl at 1073 K by means of two polarizable ion models via molecular dynamics simulations. The model potentials consisted of either the Vashishta–Rahman (VR) or the Born–Mayer rigidion potentials to which the anion-induced polarization contribution is added. Both model potentials reproduce well the main features of the structure of molten AgCl with that using the VR model potential giving marginally better results.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Molten salt chemistry and electrochemical processes · X-ray Diffraction in Crystallography · Solid-state spectroscopy and crystallography
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References (13)
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