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沸石预成核过程中硅酸盐与水之间的氢键相互作用。

H-Bond interactions between silicates and water during zeolite pre-nucleation.

作者信息

Mora-Fonz Miguel J, Catlow C Richard A, Lewis Dewi W

机构信息

Centre for Theoretical and Computational Chemistry, Department of Chemistry University College London, 20 Gordon St., London, UKWC1H 0AJ.

出版信息

Phys Chem Chem Phys. 2008 Nov 21;10(43):6571-8. doi: 10.1039/b719632f. Epub 2008 Sep 25.

Abstract

The relative strength of water-water, water-silicate and silicate-silicate interactions are studied, in order to explain the low solubility of the monomer (Si(OH)(4)), and determine the degree of dispersion of silicate clusters in solution during the hydrothermal synthesis of zeolites. We will show how the hydrogen bond interactions between water and monomeric silicate species are similar to that in pure water, whilst monomer-monomer interactions are stronger. However, when larger silicate species are also considered we find the relative hydrogen-bonding strength to follow: water-water < silicate-water < silicate-silicate. The effects of pH are also considered. The implications of the relative strength of these interactions on the formation of larger silicate species, leading to zeolite pre-nucleation, are discussed.

摘要

研究了水-水、水-硅酸盐和硅酸盐-硅酸盐相互作用的相对强度,以解释单体(Si(OH)₄)的低溶解度,并确定在沸石水热合成过程中硅酸盐簇在溶液中的分散程度。我们将展示水与单体硅酸盐物种之间的氢键相互作用如何与纯水中的相似,而单体-单体相互作用更强。然而,当考虑更大的硅酸盐物种时,我们发现相对氢键强度遵循:水-水<硅酸盐-水<硅酸盐-硅酸盐。还考虑了pH值的影响。讨论了这些相互作用的相对强度对形成更大的硅酸盐物种从而导致沸石预成核的影响。

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