Influence of organic templates on the structure and on the concentration of framework metal ions in microporous aluminophosphate catalysts

被引:59
作者
Lewis, DW
Catlow, CRA
Thomas, JM
机构
[1] Davy Faraday Research Laboratory, Royal Institution of G.B., London, W1X 4BS
关键词
D O I
10.1021/cm9505355
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Energy minimization methods are used to investigate the packing energies of triethylamine and triethylammonium templates in two distinct aluminosilicate structures, AIPO(4)-5 (AFI code) and the chabazitic AIPO(4)-34 polymorph (CHA), both of which may be synthesized as Co-AIPOs from the same gel, depending on the concentration of Co2+ and template. We show that higher (cationic) concentrations of template, induced by higher (negatively charged) Co2+ substitution levels in the framework, favor the formation of a chabazitic structure. The AIPO(4)-5 polymorph is, however, marginally more stable in the untemplated state, a result which is consistent with the reversion of the chabazitic phase to the AIPO(4)-5 polymorph at higher temperatures or increased reaction time.
引用
收藏
页码:1112 / 1118
页数:7
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