绿色表面活性剂分子结构对智能胶束体系形成的影响

分子结构与性能之间的关系一直是化学学科的关键基础性问题。以胆汁盐、酯基季铵盐及氨基酸型等绿色表面活性剂为研究对象，对这些具有不同分子结构的绿色正离子和负离子表面活性剂、正负离子表面活性剂复配体系以及环糊精-表面活性剂复配体系这类重要的“超分子环糊精两亲分子”，进行温度响应、光响应、pH响应和CO2响应胶束体系的研究。对不同温度下或不同pH下这些体系的胶束化作用、微观结构、流变性质和相行为进行深入研究；在体系中加入相应绿色添加剂后，对其在紫外光照射前后或CO2通入前后，聚集体的微观结构及流变性质进行比较。归纳总结对外界刺激产生响应胶束体系的形成规律，并考察表面活性剂分子结构和环糊精分子结构的影响。通过分子动力学模拟，从分子水平上阐释智能胶束体系的成因。揭示表面活性剂分子结构对各类智能胶束体系形成条件及聚集体微观结构转变规律的影响，为智能胶束体系的理论发展提供基础数据及实验依据。

The relationship between the molecular structure and properties has always been a key basic problem in Chemistry. The green surfactants, such as bile salts, esterquats and amino acid surfactants, are chosen as the objects of study. The investigations about temperature-responsive, photo-responsive, pH-responsive and CO2-responsive micellar systems are based on these green cationic and anionic surfactants with different molecular structures, the mixed cationic and anionic surfactant systems, and cyclodextrin-surfactant mixed systems as an important “supramolecular cyclodextrin amphiphiles”. The micellization, microstructures, rheological properties and phase behaviors of these systems at different temperatures or different pH values have been investigated thoroughly; After the addition of the corresponding green additives, the microstructures and rheological properties of these systems before and after UV irradiation or before and after bubbling CO2 have been compared. The formation rules of these stimuli-responsive micellar systems have been summarized. And the influences of molecular structures of surfactants and cyclodextrins on stimuli-responsive micellar systems have been studied. The formation of smart micellar systems have been interpreted from the molecular level based on molecular dynamics simulation. This investigation will reveal the influence of molecular structures of surfactants on formation conditions of the various smart micellar systems and the microstructural transition rules of aggregates, and provide the basic data and experimental basis for the theoretical development of smart micellar systems.