Topics in Catalysis

, Volume 35, Issue 1–2, pp 3–8 | Cite as

Towards Rational Synthesis of Microporous Aluminophosphate AlPO4-21 by Hydrothermal Combinatorial Approach

  • Yu Song
  • Jiyang Li
  • Jihong Yu
  • Kaixue Wang
  • Ruren Xu
Article

Abstract

We present a strategy toward the rational synthesis of microporous materials by combination of computational and combinatorial approach. In terms of nonbonding interaction energies of host–guest calculated by the molecular dynamics simulations using Cerius2package, the templating abilities of various organic amines in the formation of microporous aluminophosphate AlPO4-21 have been evaluated. Through rational selection of the predicted suitable templates, such as ethanolamine, trimethylamine and N, N, N′, N′-tetramethylenediamine, AlPO4-21 has been successfully synthesized by hydrothermal combinatorial approaches in the reaction system 1.0Al( i OPr)3-xH3PO4-yR-255.0H2O (R amines). The as-synthesized products are characterized by automated X-ray powder diffraction, ICP, TG, and single-crystal X-ray diffraction analyses. Their framework structures belong to zeotype AWO, which possesses eight-membered ring channels along [001] direction.

Keywords

AlPO4-21; molecular simulation; host–guest interaction; hydrothermal synthesis; combinatorial chemistry. 
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Copyright information

© Springer Science+Business Media, Inc. 2005

Authors and Affiliations

  • Yu Song
    • 1
  • Jiyang Li
    • 1
  • Jihong Yu
    • 1
  • Kaixue Wang
    • 1
  • Ruren Xu
    • 1
  1. 1.State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of ChemistryJilin UniversityChangchunP.R. China

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