CHANGE OF THE CORROSION BEHAVIOR OF FE WI TH THE COMPOSITION OF MOLTEN CARBONATES, THE STUDIES FROM THERMODYNAMICAL CALCULATIONS FOR THE MELTS BY THE MD-SIMULATION

Authors
TAKEUCHI K KOURA N KOHARA S
Citation
K. Takeuchi et al., CHANGE OF THE CORROSION BEHAVIOR OF FE WI TH THE COMPOSITION OF MOLTEN CARBONATES, THE STUDIES FROM THERMODYNAMICAL CALCULATIONS FOR THE MELTS BY THE MD-SIMULATION, Denki Kagaku Oyobi Kogyo Butsuri Kagaku, 65(3), 1997, pp. 221-225
Citations number
16
Categorie Soggetti
Electrochemistry
Journal title
Denki Kagaku Oyobi Kogyo Butsuri Kagaku → ACNP
ISSN journal
03669297
Volume
65
Issue
3
Year of publication
1997
Pages
221 - 225
Database
ISI
SICI code
0366-9297(1997)65:3<221:COTCBO>2.0.ZU;2-E
Abstract
The Gibbs free energy and the entropy of mixing of Li2CO3-K2CO3 binary molten salts (Li2CO3/K2CO3 molar ratio: 43/57, 50/50, 62/38) and FeCO 3 were calculated by using the molecular dynamics simulation method. T he mixing Gibbs free energy showed a maximum value for the 50/50 melt. Therefore, it was considered that Fe ion is most unstable in the 50/5 0 melt. On the other hand, the result of corrosion test of Fe in these binary melts indicated that the corrosiveness is minimum in the 50/50 melt. According to these results, it was considered that the minimum corrosiveness of Fe in the 50/50 melt is attributed to the difficulty in existing of Fe ion in the melt.