To remove the bulky aqueous organic dye e.g. methyl blue (MB) from water, ordered mesoporous silica SBA-15 has been functionalized with β-cyclodextrin (β-CD) via amide linkage. The surface physical and chemical properties of the surface of the resulted β-CD-functionalized adsorbents (abbrev. SBA15-A-CD) were characterized systematically. The results indicate that the channels of SBA-15 were uniformly modified with amine groups and were further β-CD-terminated via amide linkages, without ruining its ordered mesoporous structure. The effects of contact time, pH, ionic strength, temperature and salt on the adsorption performance were explored. SBA15-A-CD showed maximum adsorption capacity for MB up to 1791 mg·g⁻¹ combined with excellent recyclability. Besides, the adsorption behavior of MB onto SBA15-A-CD has been investigated by DFT calculation and two-dimensional NMR. Specifically, the enhanced adsorption capacity for MB stems from the tailored host–guest interaction between β-CD cavity and aromatic moiety of MB in combination with the electrostatic attraction between amine groups and sulfonated group of MB. These findings offer good opportunities for improving the ability of mesoporous silica in adsorption of bulky anion dyes in wastewater.

为了从水中去除笨重的水性有机染料，例如甲基蓝（MB），已通过酰胺键将有序介孔二氧化硅SBA-15用β-环糊精（β-CD）进行了官能化处理。系统表征了所得β-CD-官能化吸附剂（简称SBA15-A-CD）表面的表面物理化学性质。结果表明，SBA-15的通道被胺基均匀修饰，并通过酰胺键进一步被β-CD终止，而不会破坏其有序的介孔结构。探讨了接触时间，pH，离子强度，温度和盐分对吸附性能的影响。SBA15-A-CD对MB的最大吸附能力高达1791 mg·g ^-1结合出色的可回收性。此外，通过DFT计算和二维NMR研究了MB在SBA15-A-CD上的吸附行为。具体而言，对MB的增强吸附能力源于β-CD腔与MB的芳族部分之间的定制主客体相互作用，以及MB的胺基和磺化基团之间的静电吸引。这些发现为改善介孔二氧化硅吸附废水中大体积阴离子染料的能力提供了很好的机会。