Molten salts EXAFS

Ionic liquid structure To date, EXAFS has only been used to examine the structure of high-temperature molten salts in detail. 

Park M., Choi C.L., Lim W.T., Kim M.C., Choi J., Heo N.H. Molten-salt method for the s)mthesis of zeolitic materials II. Characterization of zeolitic materials. Microporous Mesoporous Mater., 2000 37 81-89. Ramaswamy V., Tripathi B., Srinivas D., Ramaswamy A.V., Cattaneo R., Prins R. Structure and redox behavior of zirconium in microporous Zr-sUicalites studied by EXAFS and ESR techniques. J.Catal, 2001 200 250. 

NMR and EXAFS Investigations of Lanthanum Fluoride Solubility in Molten LiF-ZrF4-LaF3 Mixture Application in Molten Salts Reactor... 

Thorium was recently the focus of an environmental problem on extracting rare earths from ores, such as mon-azite. Actually thorium can be utilised for nuclear fertile material, thus the electrochemical process is one of the promising techniques of separation from rare earth elements. One of the systematic studies on the chemistry of the compounds containing thorium was the development of molten salt reactors [1]. To investigate the relationship between the electrochemical behaviour and physico-chemical properties of thorium is important for process design, but structural information of the related materials is still limited [2], Thus, EXAFS analysis of molten thorium fluoride in mono- and divalent cationic fluoride mixtures was systematically carried out to elucidate the variation in local structure of thorium cation in various melts. 

The inter-ionic distances of the nearest neighbors in the molten salts (cation-anion distances) are obtained from the EXAFS method with the same accuracy as... 

Table 3.6 Molten salt structural data from EXAFS measurtanents...

Computer simulations have been applied to studies of the structure of molten salts along two lines one is the fi ee standing application of the computer simulation to obtain the partial pair correlation functions, the other is the refining of x-ray and neutron diffraction and EXAFS measurements by means of a suitable model. In both cases a suitable potential function for the interactions of the ions must be employed, as discussed in Sect. 3.2.4. Such potential functirms are employed in both the Monte Carlo (MC) and the molecular dynamics (MD) simulation methods. A further aspect that has been considered in the case of molten salts is the long range coulombic interaction that exceeds the limits of the periodic simulation boxes usually involved (for 1000 ions altogether), requiring the Ewald summation that is expensive in computation time and is prone to truncation errors if not applied carefully. 

Hardacre C (2005) Application of EXAFS to molten salts and ionic liquid technology. Annu... 

Crozier ED, Alberding N, Sundheim BR (1983) EXAFS study of bromomanganate ions in molten salts. J Phys Chem 79 939-943... 

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