Computerized simulation of local structure of molten LiF-KF solution by Monte Carlo method

Acta Chimica Sinica ›› 1992, Vol. 50 ›› Issue (4): 320-325. Previous Articles Next Articles

Original Articles

LiF-KF熔盐溶液局部结构的计算机模拟研究

徐驰;江乃雄;陈念贻

中国科学院上海冶金研究所

发布日期:1992-04-15

Computerized simulation of local structure of molten LiF-KF solution by Monte Carlo method

XU CHI;JIANG NAICIONG;CHEN NIANYI

Published:1992-04-15

Abstract

The local structure of LiF-KF solution (as a typical common-anion system) has been simulated by Monte Carlo method. The change of potential energy between anions, anions and cations as well as cations during the mixing between molten LiF and KF has been calculated The distribution regularity of neighbors of various ions and the content of ionic clusters of different types have been studied. By means of simulated model of the solution the fluctuation of electrostatic field in instantaneous local structure in the mixture has been discussed.

Key words: CALCULATION, COMPUTERIZED SIMULATION, POTASSIUM FLUORIDE, LITHIUM FLUORIDE, FUSED SALTS, MONTECARLO SIMULATIONS, POTENTIAL ENERGY

CLC Number:

O645
O6

Cite this article

XU CHI;JIANG NAICIONG;CHEN NIANYI. Computerized simulation of local structure of molten LiF-KF solution by Monte Carlo method[J]. Acta Chimica Sinica, 1992, 50(4): 320-325.

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LiF-KF熔盐溶液局部结构的计算机模拟研究

Computerized simulation of local structure of molten LiF-KF solution by Monte Carlo method

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