Digitalization of polymerization processes and development of smart polymer systems for transformations

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Chemical engineering is about the production and processing of materials and chemicals in safe and sustainable ways. Polymers are macromolecules that have thousands of small molecules joined together in chains by covalent bonds. Polymers represent one of the three major types of materials, with their consumption more than all other types of synthetic materials combined. Polymer material properties are determined to a large extent by their chain microstructures. Different from small molecules, polymers are the products of processes. Even with same chemical recipe, a slight difference in processes could result in totally different polymer products. My research program is in the areas of polymer reaction engineering, which bridges the lab chemistry to industrial production. My objective is to study the fundamentals of polymer reaction engineering and to train HQPs with highly demanded skills. I propose to work on two major areas (four projects): (1) to develop advanced technologies that allow us to design and produce polymers having targeted chain microstructures, and (2) to develop smart materials that allow us to convert one thing (stimulus) to another (response). The work is of both theoretical and experimental in nature, built on my strength in polymer reaction engineering combined with extensive experience in polymer chemistry and materials science. The first area is to digitize polymerization processes. Polymers are rich in microstructure, such as molecular weight, composition, sequence, tacticity, topology, functionality, etc. Precision production is the key to success. Digitalization represents the trend. One project is to model and simulate production of polymers having sophisticated chain structures. Combined with experimental verification, it provides mechanistic understanding of the chain formation under industrial production conditions. Another project is to study commercial polymer manufacturing through machine and process learning. Taking advantage of the advents of AI and Big Data, it innovates commercial manufacturing processes for developing new products and for upgrading existing products. The second area is to develop smart materials. Humankind has greatly benefited from machines that transform one thing to another, eg. heat to motion, motion to electricity, electricity to light, etc. Molecular machines, such as molecular actuators and motors, have attracted great attention in recent decades. I am motivated to explore and pioneer the design and fabrication of smart materials at intermediate scales for the transformations. One project is to synthesize hydrogels that have mechanical strength between hard and soft switched by temperature. Another project is to develop composites with electrical conductivity between conductor and insulator switched by mechanical actions. These inventions have applications as implantable sensors and smart switches.