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模板剂在沸石合成过程中的作用机理研究
引用本文:王利军,李宝会,金庆华,朱水平,郭振亚,王敬中,丁大同.模板剂在沸石合成过程中的作用机理研究[J].化学物理学报,2000,13(3):343-348.
作者姓名:王利军  李宝会  金庆华  朱水平  郭振亚  王敬中  丁大同
作者单位:南开大学物理系
基金项目:国家自然科学基金资助项目(批准号:29603004)
摘    要:通过分子模拟途径,对有机模板剂的分子与沸石骨架间非成键互作用的能学分析,论证不同工的双季铵盐「(CH3)3+/N(CH2)nN+/n(CH3)3」2Br在四种沸石(ZSM-50、ZSM-12、NU-87和ZSM-23)合成中所超的模板作用。主为这种模板作用可用非成键互作用能定量表达;在一定程度上解释了M等人固定胶凝条件、实验考察以双季铵盐系列作为模板剂的合成结果。

关 键 词:沸石  模板剂  分子模拟  合成  双季铵盐  分子筛
收稿时间:1999/7/16 0:00:00

An Energetic Study of the Templating Ability of Diquaternary Cations in Zeolite Synthesis
Wang Lijun,Li Baohui,Jin Qinghu,Zhu Shuiping,Guo Zheny,Wang Jingzhong and Ding Datong.An Energetic Study of the Templating Ability of Diquaternary Cations in Zeolite Synthesis[J].Chinese Journal of Chemical Physics,2000,13(3):343-348.
Authors:Wang Lijun  Li Baohui  Jin Qinghu  Zhu Shuiping  Guo Zheny  Wang Jingzhong and Ding Datong
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,Department of Physics,Nankai University,Tianjin 300071,Department of Physics,Nankai University,Tianjin 300071,Department of Physics,Nankai University,Tianjin 300071
Abstract:The efficacy of a template can be rationalized in terms of the energies of the host-template nonbonding interactions.This approach is used to investigate the relationship between zeolite products and the diquat template molecules in their synthesis.The systematic syn~thesis results,especially the diquat chain length dependence of the products,ZSM-23,ZSM-50,NU-87,and ZSM-12 are rationalized quantitatively.
Keywords:Zeolite  Template  Computer simulation
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