Chem. J. Chinese Universities ›› 1990, Vol. 11 ›› Issue (5): 546.
• Articles • Previous Articles Next Articles
Xie Qang, Qiu Zhuxian
Received:
Online:
Published:
Abstract: Monte Carlo simulation calculation with an elctronic computer was performed on melts of cryolite-alumina. The characterization of the local structure and radial distribution functions of the molten salt were computed at 1283 K. In the melt Al3+ ions tended to have a preferential averaged coordination number of 3. 4F-. It is found that there exist complex ionic AlF4-,AlF52-,and AIOF32-, AlOF2- etc. There also exist oxygen-bridge [AlF3 - O - A1F3]2- and flourine-bridge [F3A1- F -A1F2]- ionic clusters due to the mutual reactions among various species in the molten salt.
Key words: Melts, Complex ions, Radial distribution functions
TrendMD:
Xie Qang, Qiu Zhuxian . Computer Simulation of the Structure of Cryolite-alumina Melts[J]. Chem. J. Chinese Universities, 1990, 11(5): 546.
0 / / Recommend
Add to citation manager EndNote|Ris|BibTeX
URL: http://www.cjcu.jlu.edu.cn/EN/
http://www.cjcu.jlu.edu.cn/EN/Y1990/V11/I5/546