| LiF-KCl熔盐溶液的Monte Carlo法计算机模拟研究 II: 熔体结构与物性的关系 |
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| 引用本文： | 徐弛,江乃雄,陈念贻.LiF-KCl熔盐溶液的Monte Carlo法计算机模拟研究 II: 熔体结构与物性的关系[J].化学学报,1989,47(6):529-534. |
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| 作者姓名： | 徐弛 江乃雄 陈念贻 |
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| 作者单位： | 中国科学院上海冶金研究所 |
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| 摘 要： | 本文用Monte Carlo法对互易盐系LiF-KCl熔盐溶液的局部结构作了计算机模拟。计算了该熔盐溶液的总势能和势能分布。在1200K模拟温度下, 该熔盐溶液中大部份离子组成各种形式的离子团。根据模拟的互易盐系熔盐溶液模型, 讨论了熔体局部结构和物性之间的关系。
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| 关 键 词： | 计算 计算机模拟 结构与性能关系 势能 氯化钾 氟化锂 熔盐 蒙特卡罗模拟 |
Computerized simulation molten LiF-KCl solution by Monte Carlo method II: Relation of structure to thermodynamic properties |
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| XU CHI,JIANG NAICIONG,CHEN NIANYI.Computerized simulation molten LiF-KCl solution by Monte Carlo method II: Relation of structure to thermodynamic properties[J].Acta Chimica Sinica,1989,47(6):529-534. |
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| Authors: | XU CHI JIANG NAICIONG CHEN NIANYI |
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| Abstract: | The local structures of LiF-KCl molten solns. were simulated by applying the Monte Carlo method. The total potential energies of the melts were calculated and a relationship was established between thermodn. and structure properties. |
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| Keywords: | CALCULATION COMPUTERIZED SIMULATION STRUCTURE AND PROPERTY CORRELATION POTENTIAL ENERGY POTASSIUM CHLORIDE LITHIUM FLUORIDE FUSED SALTS MONTECARLO SIMULATIONS |
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