添加缓蚀剂是最高效便捷的油气井防腐措施之一。现有抗点蚀缓蚀剂存在不可靶向识别且在高温条件下易结焦失效的问题，因此研究能够适应苛刻环境并具备靶向性能的缓蚀剂具有重要意义。本项目以同时具备耐高温、抗点蚀和靶向响应性能为导向，基于分子模拟和实验相结合的方法开展咪唑啉类稀土配合物型抗点蚀缓蚀剂的分子设计和作用机制研究。首先，从分子水平上明确新型缓蚀剂分子结构与性能的关系，构建缓蚀剂分子设计的计算机模型，为本项目中新型缓蚀剂分子的实验制备提供理论依据。然后，利用有机硅的有机-无机杂化多级结构，借助动态相互作用将缓蚀剂分子负载封装在有机硅框架上，构筑新型智能缓蚀剂体系。最后，采用实验和模拟方法研究智能缓蚀剂体系中纳米容器与腐蚀环境、缓蚀剂与纳米容器、以及缓蚀剂和金属之间的相互作用机制，揭示新型多功能靶向智能缓蚀剂的环境识别响应特性和腐蚀抑制机制，从而为发展高性能智能缓蚀剂提供理论基础和技术依据。

Adding corrosion inhibitor is one of the most efficient and convenient anti-corrosion measures for oil and gas wells. Current corrosion inhibitors are not capable for targeted identification and are susceptible to coking failure under high temperature conditions. Therefore, developing targeted responsive corrosion inhibitors that are adapted to harsh environments is of great importance. Oriented to the multifunction including high temperature and pitting corrosion resistance and environmental response, the molecular design and action mechanism of the imidazoline rare earth complex corrosion inhibitor will be studied based on the integration of molecular simulation and experiment method. Firstly, the relationship between the molecular structure and properties of the new corrosion inhibitor at the molecular level will be illustrated, and the computer model will be constructed, providing a theoretical basis for the experimental preparation of the targeted corrosion inhibitors. Then, based on the organic-inorganic hybrid hierarchical structure of organosilica, the synthesized corrosion inhibitor molecules are loaded and encapsulated into organosilica cavity by their dynamic interaction in order to construct the intelligent corrosion inhibitor system. Finally, the interaction mechanisms of nanocontainer and corrosion environment, inhibitors and nanocontainer, inhibitors and metal substrate will be studied through laboratory experiments and molecular simulation methods. The proposed research aims at revealing the corrosion environment identification response characteristics and laws of this new type of multifunctional intelligent corrosion inhibitor, and providing theoretical basis and technical guidance for the development of high-performance intelligent corrosion inhibitors.