Diffusion Characteristics of U(IV) and Pu(III) Ions
in Eutectic Melts LiFframe0NaF and LiFframe1CaF
2 according
to Molecular Dynamics Calculations

V. Yu. Buz’koa, G. Yu. Chuikob, A. A. Polushina, and Kh. B. Kushkhovb

a Laboratory of Molecular Modeling of Chemical Processes and Compounds,
Yugtekhinform Regional Interbranch Center, ul. Mira 71, Krasnodar, 350033 Russia

e-mail: BuzkoNMR@mail.ru

b Berbekov Kabardino-Balkarian State University, ul. Chernyshevskogo 173, Nal’chik, 360004 Russia

e-mail: hasbikushchov@yahoo.com

Received December 30, 2013

Abstract—The diffusion characteristics of U(IV) and Pu(III) ions in model melts 66LiF–44NaF at 1000–1600
K and 80LiF–20CaF2 at 1050–1600 K have been calculated by the molecular dynamics method. The diffusion
activation energies of U(IV) and Pu(III) ions in the these melts have been calculated.

DOI: 10.1134/S0036023614100040


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