Computerized Simulation on the Structure of Cryolite-Alumina Melts

被引：0

作者：

谢刚

邱竹贤

徐驰

陈念贻

机构：

[1] Northeast University of Technology Shenyang China To whom correspondence should be addressed

[2] Northeast University of Technology Shenyang China

[3] Shanghai Institute of Metallurgy Academia Sinica Shanghai China

来源：

JournalofMaterialsScience&Technology | 1989年 / 06期

关键词：

Monte Carlo method; simulation; molten salt; complex ion; structure;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

<正> Monte Carlo calculations were performedon liquid ionic solution of saturated aluminain cryolite melt containing a total of 205 ions.The local structure and radial distributionfunctions of the melt were computerized by MonteCarlo method at 1283 K. It has been found thatthere exist the complex ionic clusters suchas AlOF32-, AlOF43-, AlF4-, AlF52-, AlOF2- etc.,as well as oxygen-bridge and flourine-bridgeionic clusters. In the melt studied, Al3+ ionstend to have preferential even coordinationnumber of 4F- ions.

引用

页码：426 / 429

页数：4