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The bridge functions of molten salts

Author
Tasseven, Ç.; Gonzalez, L.; Silbert, M.; Alcaraz, O.; Trullas, J.
Type of activity
Journal article
Journal
Journal of chemical physics
Date of publication
2001-09
Volume
115
Number
10
First page
4676
Last page
4680
DOI
https://doi.org/10.1063/1.1392366 Open in new window
Repository
http://hdl.handle.net/2117/24492 Open in new window
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 di...
Citation
Tasseven, Ç. [et al.]. The bridge functions of molten salts. "Journal of chemical physics", Setembre 2001, vol. 115, núm. 10, p. 4676-4680.
Keywords
Electrolytes Molten salts Molecular dynamics Numerical solutions
Group of research
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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