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Xu Chi, Chen Nainyi, Jiang Naixiong, Ni Suwen

. COMPUTERIZED SIMULATION OF THE STRUCTURE OF CRYOLITE-ALUMINA MELTS[J]. Acta Physico-Chimica Sinica, ;1987, 3(01): 55-59. doi: 10.3866/PKU.WHXB19870110 shu

COMPUTERIZED SIMULATION OF THE STRUCTURE OF CRYOLITE-ALUMINA MELTS

1.
Shanghai Institute of Metallurgy; Academia Sinica
Shanghai Institnte of Computational Technology

Received Date: 22 October 1985
Available Online: 15 February 1987

The structure of cryolite-alumina melt has been simulated by Monte Carlo method.It has been found that there exist poly-nuclear ionic clusters with oxygen- bridge or flourine-bridge, such as F_3Al-O-AIF_3, F_3lA—F—AlF_3—F, etc., as well as mono-nuclear ionic clusters such as AlF_5~(2-), AlOF_3~(2-),etc. The melt contains also loose ionic clusters of xNa~+·yF~-. The existence of AlO_2~- or AlO_3~(3-)has been dis- proved by computerized simulation.
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