Computerized Simulation on the Structure of Cryolite-Alumina Melts
来源期刊:JOURNAL OF MATERIALS SCIENCE TECHNOLOG1989年第6期
论文作者:谢刚 邱竹贤 徐驰 陈念贻
文章页码:426 - 429
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.
谢刚,邱竹贤,徐驰,陈念贻
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.
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