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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
Through the molecular simulation approach, the energetic analysis of the non-bonding interaction between the three organic templates of pyrrolidine, ethylenediamine and n-butylamine with the framework of ZSM-35 zeolite were respectively compared with the results of their synthetic experiments. The Relationship Between Zeolite Non-Bond Interactions and Synthetic Velocity. It was found that the order of the non-bonding interactions between the above three template agents and the ZSM 35 framework in the ten-membered ring channel coincided with the order of the crystallization rate from the fastest to the slowest