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The bridge functions of molten salts

Autor
Tasseven, Ç.; Gonzalez, L.; Silbert, M.; Alcaraz, O.; Trullas, J.
Tipus d'activitat
Article en revista
Revista
Journal of chemical physics
Data de publicació
2001-09
Volum
115
Número
10
Pàgina inicial
4676
Pàgina final
4680
DOI
https://doi.org/10.1063/1.1392366 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/24492 Obrir en finestra nova
Resum
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 di...
Citació
Tasseven, Ç. [et al.]. The bridge functions of molten salts. "Journal of chemical physics", Setembre 2001, vol. 115, núm. 10, p. 4676-4680.
Paraules clau
Electrolytes Molten salts Molecular dynamics Numerical solutions
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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