基于材料基因组方法的新型含硅芳基乙炔树脂的设计与性能研究

材料基因组方法为材料的创新设计和高效制备提供了新的思路和方法。含硅芳基乙炔树脂具有耐热性好和力学性能优良等特点。但在实际应用之前，还需要解决交联结构形成机理不清、力学性能需进一步提高等一系列科学问题。本课题拟运用材料基因组方法，通过引入第二组份树脂，设计、制备热学和力学性能优异的含硅芳基乙炔双组份树脂。.首先，构建材料基因组方法，通过高通量筛选设计、获得具有优异性能的第二组份树脂结构。然后，运用理论模拟，对设计的新型双组份树脂进行理论验证，预测其结构与性能。在此基础上，开展实验合成和制备。通过上述研究，明确树脂交联结构—聚集态结构—宏观性能的关系。最终实现树脂的可控和高效制备，为其在航天航空和国防军工领域的应用奠定基础。

The concept of Materials Genome Initiative (MGI) provides new ideas and methods for material design and preparation. Due to high thermal stability and good mechanical properties, silicon-containing arylacetylene resins have potential applications in aerospace, information and electronic industries. However, a series of scientific problems should be solved before the practical usages, such as formation of the cross-linked structures and improvement of the mechanical properties. Introduction of a second component is an efficient way to promote the.properties of silicon-containing arylacetylene resins. The MGI method can promote the effecience of structure design of the second resin and the preparation procedure of new type of high performance resins containing two components..In this proposal, high throughput screening will be used to select the structures of second resins with potential excellent performance. Then,.theoretical simulations will be applied to validate the screening results and predict the cross-linked structures and properties of new two-component resins. Afterwards, experimental syntheses and preparation will be carried out to obtain the target resins and refine the simulation results..Through above studies, the relationship between molecular chain structure, cross-linked structure and property such as thermal, mechanical, and rheological properties of the new two-component resin will be revealed. We intend to fulfill the objective to gain controllable structures and controllable properties, which lays the foundation for innovative design and efficient preparation of high performance resins for the usages in the aerospace industry and so on.