X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium

Abstract

Ion clustering of dilute chromium species was unexpectedly revealed in a high-temperature molten chloride salt, challenging several long-held assumptions regarding specific ionic interactions and transport in molten ionic media.

Adding MgCl2 to Molten NaCl−UCln (n=3, 4): Insights from First‐Principles Molecular Dynamics

“…To the best of our knowledge, there have been no direct experimental measurements reported for the structures of the NaCl−UCl 3 /UCl 4 −MgCl 2 molten salts. Studies on similar salts confirm our finding of the change of coordination [30] and the formation of network structures [16,18] . In our previous study of NaCl−UCl 3 , we have examined the relationship between the network structures and the transport properties, as well as the figure of merits for heat transfer [15] .…”

“…Studies on similar salts confirm our finding of the change of coordination [30] and the formation of network structures. [16,18] In our previous study of NaClÀ UCl 3 , we have examined the relationship between the network structures and the transport properties, as well as the figure of merits for heat transfer. [15] The structural data can be further combined with thermodynamics modelling to obtain the chemical speciation in the melt.…”

“…MgCl 2 is another promising candidate salt for MSRs. [16][17][18][19] However, it is unclear that how the addition of MgCl 2 into the mixture of the NaClÀ UCl n (n = 3, 4) will affect the structures of the melt, especially the formation of the UÀ ClÀ U linkage.…”

“…Our studies revealed that the viscosity of the NaCl−UCl 3 mixture increases with the uranium concentration as the network structure of U−Cl−U is formed. MgCl 2 is another promising candidate salt for MSRs [16–19] . However, it is unclear that how the addition of MgCl 2 into the mixture of the NaCl−UCl n ( n =3, 4) will affect the structures of the melt, especially the formation of the U−Cl−U linkage.…”

Structure of Molten Alkali Chlorides at Charged Interfaces and the Prediction and Interpretation of Their X-ray Reflectivity

“…We seek to cast the observable reflectivity R ( q ) commonly normalized by the ideal Fresnel reflectivity R F ( q ) in terms of the additive contributions of pair density subcomponents; where the labels (+, – , s ) refer to cations, anions, and the solid. This is done in the same spirit as that of our prior work where the bulk liquid structure function ,− is partitioned to expose the origin of all relevant liquid structural motifs. The subcomponents of , which reveal a plethora of information about the relative structural patterns of the subspecies but are not measured experimentally, can instead be obtained from simulation.…”