| 脱水KFI沸石中钾离子分布的模拟退火研究 |
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| 引用本文： | 朱水平,金庆华,李宝会,王敬中,丁大同.脱水KFI沸石中钾离子分布的模拟退火研究[J].无机化学学报,1998,14(2):215-218. |
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| 作者姓名： | 朱水平 金庆华 李宝会 王敬中 丁大同 |
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| 作者单位： | 南开大学物理系，天津市 300071,南开大学物理系，天津市 300071,南开大学物理系，天津市 300071,南开大学物理系，天津市 300071,南开大学物理系，天津市 300071 |
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| 摘 要： | 基于四个固定的参量设值：阳离子位能差EM2-EM1=25.50 kJ/mol、 EM3-EM1=-10.73 kJ/mol和最近邻阳离子对互作用能W12=45.6 kJ/mol、 W14=0.56 kJ/mol以及一个温度依赖的参量EM4-E<
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| 关 键 词： | 分子筛 阳离子分布 温度影响 模拟退火 |
SIMULATED ANNEALING STUDIES ON THE DISTRIBUTIONS OF POTASSIUM IONS IN DEHYDRATED KFI ZEOLITE |
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| Zhu Shuiping,Jin Qinghu,Li Baohui,Wang Jingzhong and Ding Datong.SIMULATED ANNEALING STUDIES ON THE DISTRIBUTIONS OF POTASSIUM IONS IN DEHYDRATED KFI ZEOLITE[J].Chinese Journal of Inorganic Chemistry,1998,14(2):215-218. |
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| Authors: | Zhu Shuiping Jin Qinghu Li Baohui Wang Jingzhong and Ding Datong |
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| Institution: | Department of Physics, Nankai University, Tianjin 300071,Department of Physics, Nankai University, Tianjin 300071,Department of Physics, Nankai University, Tianjin 300071,Department of Physics, Nankai University, Tianjin 300071 and Department of Physics, Nankai University, Tianjin 300071 |
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| Abstract: | Based on four constant parameters (the site energy differences EM2-EM1=25.50 kJ/mol, EM3-EM1=-10.73 kJ/mol and the potential energies of interactions between the cation pairs occupying adjacent sites W12=45.60 kJ/mol, W14=0.56 kJ/mol) and a temperature-dependent parameter EM4-EM1=2.68(T/323)2.5 kJ/mol, the equilibrium distributions of the exchangeable cations, K+,s, over those four available cation sites in K22.4Al22.4Si73.6O192 are studied by the simulated annealing method. The predicted variations of the site populated fractions as a function of temperature fit the experimental data satisfactorily within the temperature range of 323-923K. |
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| Keywords: | molecular sieves cation distributions temperature effects simulated annealing |
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