| 脱水KFI沸石中钾离子分布的模拟退火研究 |
| SIMULATED ANNEALING STUDIES ON THE DISTRIBUTIONS OF POTASSIUM IONS IN DEHYDRATED KFI ZEOLITE |
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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< |
| 关键词: 分子筛 阳离子分布 温度影响 模拟退火 |
| 基金项目: |
| 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. |
| Keywords: molecular sieves cation distributions temperature effects simulated annealing |
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| 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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