Structure of the Molten NaCl-MgCl2

where E0, F, n, aMn+ and aM are a standard decomposition potential, Faraday constant, an electron transfer number, and the activity of an ion M and a product M, respectively. We were interested in the reason of such a stabilization of multivalent cations. Molecular dynamics (MD) simulations give information about the microscopic structure in real space, while diffractional methods give us structural information in reverse space. This paper deals with molten N a C l M g C l 2 , whose thermodynamic properties were obtained by emf measurements [1,2]. Brooker and Huang guessed the structure of this system from Raman spectroscopy [3,4]. Moreover, the structure of molten MgCl2 was studied by X-ray diffraction and neutron diffraction [5,6].