A semi-empirical theory of molten salts

Please use this identifier to cite or link to this item: http://hdl.handle.net/2289/3413

Title:	A semi-empirical theory of molten salts
Authors:	Raghurama, G. Narayan, R. Ramaseshan, S.
Keywords:	Soft matter Liquids and polymers
Issue Date:	1985
Publisher:	Institute of Physics
Citation:	Journal of Physics C, 1985, Vol.18, p2401-2409
Abstract:	A semi-empirical model is presented for describing the interionic interactions in molten salts using the experimentally available structure data. An extension of Bertaut's method of non-overlapping charges is used to estimate the electrostatic interaction energy in ionic melts. It is shown, in agreement with earlier computer simulation studies, that this energy increases when an ionic salt melts. The repulsion between ions is described using a compressible ion theory which uses structure-independent parameters. The van der Waals interactions and the thermal free energy are also included in the total energy, which is minimised with respect to isostructural volume variations to calculate the equilibrium density. Detailed results are presented for three molten systems, NaCl, CaCl2 and ZnCl2, and are shown to be in satisfactory agreement with experiments. With reliable structural data now being reported for several other molten salts, the present study gains relevance.
Description:	Restricted Access.
URI:	http://hdl.handle.net/2289/3413
ISSN:	0022-3719; 0368-3516
Alternative Location:	http://dx.doi.org/10.1088/0022-3719/18/12/004
Copyright:	1985 The Institute of Physics
Appears in Collections:	Research Papers (SCM)

Files in This Item:

File	Description	Size	Format
1985_JPC_V18_p2401.pdf Restricted Access	Restricted Access	520.94 kB	Adobe PDF	View/Open Request a copy