基于分子设计硅碳烷基表面活性剂的合成及构效关系

In this project, carbosilane based (polyether and anionic type) surfactants with different carbosilane structures, special functional groups containing aryl, alkyl groups, are designed and synthesized. Structure-activity relationship of these carbosilane based surfactants in aqueous solution are investigated systematically. In order to study the unique role of carbosilane structures in constructing the order structure aggregates of carbosilane based surfactants, meanwhile, investigate the effect of intermolecular interaction on the structure, morphology and properties of aggregates. The effect of pH on solution behavior of carbosilane surfactant are also studied. These researches can elucidate the regulation mechanism of carbosilane molecular structure on aggregation behavior of carbosilane based surfactants, such as structure, morphology, properties of ordered molecular aggregates. These researches also provide theoretical basis for silicone surfactants applications, such as, agrochemical adjuvants.

本项目拟深入研究聚醚型和阴离子型硅碳烷基（Si-C-Si基）表面活性剂溶液行为的构效关系。主要包括：(1)设计合成苯基、烷烃基等取代的氯甲基硅烷，再制备成Si-C-Si基表面活性剂并研究其聚集行为，探究分子结构、分子间相互作用对聚醚型和阴离子型Si-C-Si基表面活性剂有序分子聚集体结构、形貌和性质的影响规律; (2)探索溶液pH值对Si-C-Si基（聚醚型和阴离子型）表面活性剂溶液行为的影响规律。通过上述研究阐明分子结构对聚醚型和阴离子型Si-C-Si基表面活性剂溶液行为的调控规律，为农药协同增效等关键技术提供新的解决方案和理论指导。

本项目探讨了硅碳烷分子结构结构、亲水基团及分子间相互作用对有机硅表面活性剂聚集行为的影响规律。包括(1)设计合成烃基(甲基、乙基、丙基等)、脂环烃取代的硅碳烷，再采用thiol-ene反应制备成阴离子型、聚醚型有机硅表面活性剂并研究其聚集行为，研究硅碳烷/硅氧烷分子结构、亲水基团对有机硅表面活性剂在溶液中聚集行为的影响规律，并探索分子间弱相互作用、分子结构对有机硅表面活性剂有序分子聚集体结构、形貌和性质的调控规律；(2)设计合成阳-非离子型有机硅表面活性剂，研究它们在溶液中聚集行为，考察分子结构对阳-非离子型有机硅表面活性剂聚集体的调控。通过上述研究阐明硅碳烷/硅氧烷分子结构对有机硅表面活性剂聚集行为的影响和分子间弱相互作用的协同规律以及对有序分子聚集体的调控机理，设计新颖的组装基元，建立多层次的可控自组装新体系，为开拓有机硅表面活性剂等应用提供理论依据。