Chemically modified silica materials as model systems for the characterization of water-surfaceinteractions

本项目的目的是利用固体核磁共振波谱法对介孔二氧化硅和碳材料表面进行可控改性，并研究这些改性对孔隙中简单流体和二元流体的结构、动力学和相行为的影响。由于表面硅醇基团的存在，二氧化硅材料的表面性质（亲水性/疏水性、极性/非极性、氢键供体/受体）可以相对容易地化学官能化，例如具有氨基、酰胺、羧基、磷酸盐、氯化物或肽功能。碳材料的表面性能是由炭化温度的选择来控制的。改性材料的质量由BET、SAXS、固态MAS NMR谱和动态核极化控制。通过1h -和2H-MASNMR测量研究了孔隙中流体的行为。在二元混合物中，我们主要对界面层的动态过程感兴趣。这些是通过1H-MAS和2H- mas核磁共振与2H和17O线形式分析的组合来分析的。采用2H固体核磁共振波谱法研究了表面修饰（肽链和烷基链）的动力学行为。

The aim of this project is the controlled modification of the surfaces of mesoporous silica and carbon materials and the investigation of the influence of these modifications on the structure, dynamics and phase behavior of simple and binary fluids confined in the pores using methods of solidstate NMR spectroscopy. Owing to the presence of the surface silanol groups, the surface properties (hydrophilic / hydrophobic, polar / non-polar, hydrogen-bond donors/acceptors) of the silica materials can be relatively easily chemically functionalized, as for example with amino,amide, carboxyl, phosphate, chloride or peptide functions. The surface properties of the carbon materials are controlled by the selection of the temperature where the carbonization is carried out. The quality of the modified materials is controlled by BET, SAXS, solid-state MAS NMR spectroscopy and dynamic nuclear polarization. The behavior of the fluids in the pores is studied by 1H-and 2H-MASNMR measurements. In the binary mixtures we are primarily interested in the dynamic processes in the interface layer. These are analyzed by a combination of 1H-MAS and 2H-MAS NMR with 2H and 17O line form analysis. The dynamic behavior of surface modifications (peptide chains and alkyl chains) is investigated by 2H solid-state NMR spectroscopy.