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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.
Through the molecular simulation approach, the energetic analysis of the non-bonding interaction between the organic template molecule and the zeolite framework is demonstrated. The results show that the quaternary ammonium salt [(CH3) 3N (CH2) nN (CH3) The role of the template in the synthesis of the four zeolites (ZSM-50, ZSM-12, NU-87 and ZSM-23) It is considered that this template can be quantitatively expressed by non-bonding interactions. To a certain extent, Moini et al. Explain the conditions of immobilized gelation. The results of the synthesis using the double quaternary ammonium salt series as templating agent were investigated experimentally.