Ionic diffusion in superionic-conductor melts
作者： K Tankeshwar , M P Tosi
DOI: 10.1088/0953-8984/3/38/022
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摘要: The self-diffusion coefficients D+ and D- of the two ionic species in molten AgI, CuCl, CuBr CuI are evaluated contrasted with those calculated for NaCl. evaluation adopts a simple model liquid-state dynamics, earlier proposed by Zwanzig (1983) to justify Stokes-Einstein formula monatomic fluids, suitable approximations relates pair potentials structure melt. results offer an interpretation molecular dynamics data showing that, whereas 'normal' system such as NaCl ratio D+/D- melt is order unity, sizeable difference between persists salts melting from fast-cation conducting solid. This explicitly related liquid through differences structural backscattering cations halogens halogens. magnitudes quite satisfactory, while absolute good agreement only (AgI, NaCl) which masses not greatly different.
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