Optimization and Calculation   of

the CeCl₃-MCI (M=Li, Na, K, Rb, Cs) Phase Diagrams*

 

Yimin Sun^{1, 2}, Yang Zhang¹, Zhiyu Qiao²

 

¹Institute of Chemistry and Materials Science, Anhui Normal University,

Wuhu, Anhui, 241000, P. R. China

(mysun@21cn.com)

² Department of Physical Chemistry, University of Science & Technology Beijing,

Beijing, 100083, P. R. China

 

Abstract

 

The optimizations and calculations of the CeCl₃-MCl (M= Li, Na, K, Rb, Cs) binary systems have been carried out by using CALPHAD technique. For describing the Gibbs energy of liquid phases in these systems the quasichemical model in the pair-approximation with short-range ordering was used. To obtain the better-consistency thermodynamic parameters for those systems all available measured phase equilibria data and other experimental integral properties of the CeCl₃-MCl phase diagrams were collected and applied together. As a result, a set of thermodynamic parameters has been obtained based on an interactive computer-assisted analysis. The calculated phase diagrams and thermodynamic data from optimization are self-consistent. Based on the optimized parameters all of five phase diagrams were calculated and plotted. Here we express our thanks specially to professor A. D. Pelton and his colleagues for their thermodynamic model and computer software.

 

 

References

 

[1] CALPHAD Journal, Editor A. T. Dinsdale, Pergamon Press, New York, NY, 1977-2000.

[2] H. J. Seifert, J. Sandrock and G. Thiel, Journal of Thermal Analysis, 31, (1986) 1309-1318

[3] G. N. Papatheodorou and O. J. Kleppa, J.  Phys. Chem., 78, 2, (1974) 178-181

[4] E. A. Guggenheim, Proc. Roy. Soc. A148, (1935) 304; R. H. Fowler and E. A. Guggenheim, “Statistical Thermodynamics” Cambridge, (1939) 350-366

[5] A. D. Pelton and M. Blander, Proc, AIME Symposium on Metall. Slags and Fluxes, AIME, Warrendale, PA. (1984) 281-294.

[6] A. D. Pelton and M. Blander, Metallurgical Transactions 17B, Dec., (1986) 805-815

[7] C. W. Bale, A. D. Pelton and W. T. Thompson, F*A*C*T –Facility for the Analysis of Chemical Thermodynamics, User’s Guide and Supplement, McGill University and Ecole Polytechnique, Montreal, (1986)