期刊
MOLECULAR PHYSICS
卷 112, 期 9-10, 页码 1306-1312出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2014.897396
关键词
molten salt; thermal conductivity; molecular dynamics; density; viscosity
资金
- European Commission [249696]
- Natural Sciences and Engineering Research Council of Canada (NSERC)
Molten fluorides are known to show favourable thermophysical properties which make them good candidate coolants for nuclear fission reactors. Here we investigate the special case of mixtures of lithium fluoride and thorium fluoride, which act both as coolant and as fuel in the molten salt fast reactor concept. By using ab initio parameterised polarisable force fields, we show that it is possible to calculate the whole set of properties (density, thermal expansion, heat capacity, viscosity and thermal conductivity) which are necessary for assessing the heat transfer performance of the melt over the whole range of compositions and temperatures. We then deduce from our calculations several figures of merit which are important in helping the optimisation of the design of molten salt fast reactors.
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