摘要
通过分子模拟途径，对有机模板剂分子与沸石骨架间非成键互作用的能学分析，论证不同链长的双季铵盐［（CH3）3N（CH2）nN（CH3）3］2Br-在四种沸石（ZSM－50、ZSM－12、NU－87和ZSM－23）合成中所起的模板作用．认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Moini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．
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 synthesis results, especially the diquat chain length dependence of the products, ZSM-23,ZSM - 50, NU - 87, and ZSM -12 are rationalized quantitatively.
基金
国家自然科学基金!29603004
