| COMPUTERIZED SIMULATION OF THERMODYNAMICS FOR MOLTEN LiF-KF SOLUTION BY MONTE CARLO METHOD |
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| 引用本文： | XU Chi JIANG Naixiong CHEN Nianyi Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,China. COMPUTERIZED SIMULATION OF THERMODYNAMICS FOR MOLTEN LiF-KF SOLUTION BY MONTE CARLO METHOD[J]. 金属学报(英文版), 1992, 5(8): 145-148 |
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| 作者姓名： | XU Chi JIANG Naixiong CHEN Nianyi Shanghai Institute of Metallurgy Academia Sinica Shanghai China |
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| 作者单位： | XU Chi JIANG Naixiong CHEN Nianyi Shanghai Institute of Metallurgy，Academia Sinica，Shanghai，China |
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| 摘 要： | The structure and behaviour of LiF-KF solution,as a typical common-anion system,hasbeen simulated by Monte Carlo method.The calculation of partial radial distribution functionof ions,heat of mixing and potential energy distribution shows that the average distance be-tween Li~+ and F~- ions will significantly narrow after mixing of molten LiF and KF.This isvery similar to the lean-on-one-side effect in molten LiF-KCl solution.The calculated heatof mixing is in fair agreement with the measured one.The dominant source of the energy ofmixing may be that the decrease of the repulsion energy between cations,the decrease of theattraction energy between cations and anions,and the decrease of the repulsion energy be-tween anions.
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| 收稿时间： | 1992-08-11 |
| 修稿时间： | 1992-08-11 |
COMPUTERIZED SIMULATION OF THERMODYNAMICS FOR MOLTEN LiF-KF SOLUTION BY MONTE CARLO METHOD |
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| XU Chi JIANG Naixiong CHEN Nianyi. COMPUTERIZED SIMULATION OF THERMODYNAMICS FOR MOLTEN LiF-KF SOLUTION BY MONTE CARLO METHOD[J]. Acta Metallurgica Sinica(English Letters), 1992, 5(8): 145-148 |
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| Authors: | XU Chi JIANG Naixiong CHEN Nianyi |
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| Affiliation: | XU Chi JIANG Naixiong CHEN Nianyi Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,China |
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| Abstract: | The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential energy distribution shows that the average distance be- tween Li~+ and F~- ions will significantly narrow after mixing of molten LiF and KF.This is very similar to the lean-on-one-side effect in molten LiF-KCl solution.The calculated heat of mixing is in fair agreement with the measured one.The dominant source of the energy of mixing may be that the decrease of the repulsion energy between cations,the decrease of the attraction energy between cations and anions,and the decrease of the repulsion energy be- tween anions. |
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| Keywords: | molten salt Monte Carlo method computerized simulation thermodynamic property LiF-KF system |
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