Dorner, R.W.; (2007) Host-guest interactions in microporous aluminophosphates. Doctoral thesis , University of London.

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Abstract

Microporous materials have attracted considerable interest from the scientific community leading to studies to understand the mechanism involved in the crystallisation of these materials. Most preparations of these materials require a specific organic template (amine or ammonium salt), which acts as a structure directing agent (SDA). The exact behaviour of templates during crystallisation and their role in controlling selectivity to form specific microporous materials is still not completely understood. In previous work carried out at the Royal Institution of Great Britain, the most specific SDA for the synthesis of AlP04-5 (AFI), i.e. Af-Methyldicyclohexylamine (MCHA) had been found. In this thesis, using high-resolution powder X-ray diffraction and Rietveld analysis it was possible to locate the template within the channel system. Employing Monte Carlo docking calculations, the results obtained experimentally were corroborated. Comparing the position of the MCHA within the AFI channel system with the position of other SDAs that form the A1PO-5 topology, a relationship between a template's pKb value and its ability to form the AFI topology could be proposed. Based on the results from the location of MCHA within the framework, it was possible to synthesis a novel layered aluminophosphate material, using phenylethylamine as SDA. The material's structure was solved by single crystal diffraction. Having located several organic molecules within the inorganic framework, experiments were conducted to test microporous aluminophosphates as hydrocarbon traps in cold start emission control. Several different substituted materials of the AFI and ATS topology were tested in dry and wet conditions. To gain further insight into the material's ability to store toluene, the organic molecule was located through X-ray diffraction. The results were again corroborated through computational methods. Overall the thesis has led to a better insight into organic-inorganic interactions within microporous aluminophosphates.

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