US-Dutch scientists develop new high polymer materials through "computational chemistry"

Computational chemistry brings new super-strong self-healing high polymer materials

is expected to bring changes to transportation, aviation, microelectronics and other industries

Science and Technology Daily News recently, the IBM Research Institute in the United States has cooperated with scientists from the University of California at Berkeley and the Eindhoven University of Technology in the Netherlands to combine laboratory experiments with high-precision calculations through "computational chemistry" to simulate the formation and reaction of new materials. , The development of two new types of high-polymer materials that can be recycled is expected to bring changes to the processing and manufacturing of transportation, aviation, microelectronics and other industries.

According to a recent report by the Physicist Organization Network, these new materials first have anti-cracking properties, are stronger than bones, and can be deformed and self-healed. All materials can be completely restored to the original raw materials. Moreover, it can also "transform" into a new polymer structure, increase its strength by 50%, and become another super-strong lightweight material. Related papers were published in the same day's "Science" magazine.

Aviation materials need to have good crack resistance, but the current polymer materials have limited crack resistance and are difficult to recycle. They cannot be recast, self-healed or thermally decomposed. Waste materials can only be disposed of by waste slag landfill. What the research team discovered is a new material "family" whose properties can be widely adjusted as needed, which also brings more opportunities for exploration, research and application development. The two new materials they developed have their own characteristics, including high hardness, resistance to dissolution, cracking and self-healing and strengthening.

These new types of polymeric materials have cheap raw materials. Large molecules are linked together by condensation reaction, and small molecules form water or ethanol. The response is simple and easy to adjust. At 250°C, the polymer is recombined through covalent bonds and becomes stronger than bone by removing the solvent, but the disadvantage is that it is brittle and fragile. It will not be damaged in high pH water, but will selectively decompose in low pH water, so under appropriate conditions, it can reversibly become the original material form and re-form a new polymer structure. Moreover, by mixing polymers with carbon nanotubes or other reinforcing fillers, they can become stronger after being heated at high temperatures, possessing properties similar to metals, and are used in airplanes and automobiles.

At room temperature, another polymer material like elastic glue can be formed. The solvent is embedded in the polymer network, which not only has higher strength than most polymer materials, but also remains flexible, just like a rubber belt. If it cracks, put the pieces together and form a chemical bond in a few seconds to form a whole. This property allows it to be recycled in a neutral environment, and is useful in applications that require reversible reorganization.

Researchers pointed out that this non-traditional method will bring many unprecedented new materials and accelerate the development of new materials. "Although great progress has been made in the research of high-performance materials, the currently designed polymeric materials still lack many basic properties. New material innovations are critical in coping with global challenges and developing new products." James Hay, Advanced Organic Materials Scientist, IBM Research Institute Derek said, “Now, we can use calculations to predict how molecules will behave in chemical reactions, create new polymer structures, help promote the development of new materials, and meet the needs of complex advanced materials in the transportation, microelectronics or advanced manufacturing industries. Needs.” (Chang Lijun)