Modelling and evaluating the consequences of the presence of O2− in NaF–ZrF4 molten fluoride salt
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Cita com:
hdl:2099.1/17995
Tutor / directorSalanne, Mathieu
Tipus de documentProjecte/Treball Final de Carrera
Data2011
Condicions d'accésAccés obert
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Reconeixement-NoComercial-SenseObraDerivada 3.0 Espanya
Abstract
The framework of this study is the potential use of molten salts in the nuclear industry
of the future. Those systems properties have been determined from finite temperature molecular
dynamics simulations with a realistic representation of the interatomic interactions
(the dipole-polarizable ion model, DIPPIM).
Among the quantities that can be obtained from molecular dynamics simulations,
structural and dynamic properties hold particular interest for this work : those are mandatory
to determine the various molten salts capabilities for being used as coolants in
nuclear reactors, or the speciation of fission products in silicate glasses. This work has
been particularly focused on the effect of adding small amounts of oxides in a fluorozirconate
based molten salt. The formation of molecular ions based on strong Zr–O–Zr bonds
results in an important medium-range ordering of the system and in a noticeable slowing
of the dynamics of the ions, accompanied by an increase of the viscosity.
Keywords
Fluoride ionic molten salts, fourth generation nuclear reactor, concentration of oxide,
molecular dynamics, computer simulations, structural study, dynamical analysis, viscosity,
diffusion, NaF–ZrF4.
MatèriesMolten salt reactors, Molecular dynamics, Oxides, Fluorides, Reactors de sal fosa, Dinàmica molecular, Fluorurs, Òxids
TitulacióENGINYERIA INDUSTRIAL (Pla 1994)
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ANDREU_rapport.pdf | Report | 2,222Mb | Visualitza/Obre |