Acta Chimica Sinica ›› 2000, Vol. 58 ›› Issue (7): 790-794. Previous Articles     Next Articles

Original Articles

用分子动力学模拟方法研究层孔与微孔磷酸铝化合 物中有机胺的模板作用: 指 导定向合成的有效途径

于吉红;李激扬;徐如人   

  1. 吉林大学化学系.长春(130023);吉林大学教育无机合成与制备化学重点实验室
  • 发布日期:2000-07-15

Investigation of the templatng role of organic amines for the formation of layered and microporous aluminophosphates by molecular dynamics simulations

Yu Jihong;Li Jiyang;Xu Ruren   

  1. Jilin Univ, Dept Chem.Changchun(130023)
  • Published:2000-07-15

The templating role of organic amines for the formation of some alyered and microporous aluminophosphates has been investigated by molecular dynamics simulations. In terms of the host-guest non- bonding interaction, some suitable template molecules can be well predicted for the formation of a given host. Through selection of the suitable templates, some compounds with specific structures can be rationally prepared in solvothermal system. This work will further assist in the molecular engineering of microporous functional materials.

Key words: ALUMINOPHOSPHATE, MATRIX POLYMERIZATION, MOLECULAR DYNAMICS, AMINES

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