| 模板剂合成ZSM-35动力学模拟计算 |
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| 引用本文： | 王利军,李宝会,陈铁红,金庆华,王敬中,唐世雄,丁大同. 模板剂合成ZSM-35动力学模拟计算[J]. 化学物理学报(中文版), 2000, 13(5): 637-640. DOI: 10.1088/1674-0068/13/5/637-640 |
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| 作者姓名： | 王利军 李宝会 陈铁红 金庆华 王敬中 唐世雄 丁大同 |
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| 作者单位： | 王利军,李宝会,金庆华,丁大同(南开大学物理系，天津 300071);陈铁红,王敬中,唐世雄(南开大学化学系, 天津 300071) |
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| 摘 要： | 通过分子模拟途径，将吡咯烷、乙二胺、正丁胺三种有机模板剂与ZSM-35沸石骨架间非成键互作用的能学分析分别于它们的合成实验结果进行对照，论证模板剂与沸石间非键相互作用能与合成速率的关联。发现处于十员环孔道中的上述三种模板剂与ZSM-35骨架间非成键互作用能从小到大的顺序与晶化速率从快到慢的顺序一致。
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| 关 键 词： | 沸石 模板剂 能学分析 合成速率 |
Simulation of Synthesizing ZSM-35 Kinetics with Templates |
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| Wang Lijuna,Li Baohuia,Chen Tiehongb,Jin Qinghuaa,Wang Jingzhongb,Tang Shixiongb,Ding Datonga. Simulation of Synthesizing ZSM-35 Kinetics with Templates[J]. Chinese Journal of Chemical Physics, 2000, 13(5): 637-640. DOI: 10.1088/1674-0068/13/5/637-640 |
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| Authors: | Wang Lijuna Li Baohuia Chen Tiehongb Jin Qinghuaa Wang Jingzhongb Tang Shixiongb Ding Datonga |
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| Abstract: | Molecular simulation of the interactions of three kinds of organic templates, pyrroli-dine, ethylenediamine andn-butylamine, with zeolite ZSM-35, is carried out. The calculated en-ergies are associated with the experimental synthesis rates of ZSM-35. It proves that the synthesis rate of ZSM-35 can be rationalized with the non-bonding interaction-energy of templates and zeo-lite. |
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| Keywords: | Zeolite Template Energy analysis Synthesis rate |
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