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

聚合过程的数字化和用于转换的智能聚合物系统的开发

• 批准号: RGPIN-2020-06774
• 负责人: Zhu, Shiping
• 金额: $ 4.01万
• 依托单位: McMaster University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2020
• 资助国家: 加拿大
• 起止时间: 2020-01-01 至 2021-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=718084
• 关键词: Digitalization; polymerization; processes; development; smart

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.

化学工程是关于以安全和可持续的方式生产和加工材料和化学品。聚合物是由成千上万的小分子通过共价键连接在一起的大分子。聚合物是三种主要材料之一，其消耗量超过所有其他类型合成材料的总和。聚合物材料的性能在很大程度上取决于其链的微观结构。与小分子不同，聚合物是过程的产物。即使使用相同的化学配方，工艺上的微小差异也可能导致完全不同的聚合物产品。 我的研究项目是聚合物反应工程领域，它将实验室化学与工业生产联系起来。我的目标是学习聚合物反应工程的基础知识，培养具有高要求技能的HQP。我建议在两个主要领域（四个项目）开展工作：（1）开发先进技术，使我们能够设计和生产具有目标链微结构的聚合物，以及（2）开发智能材料，使我们能够将一件事（刺激）转换为另一件事（反应）。这项工作是理论和实验的性质，建立在我的实力在聚合物反应工程结合在聚合物化学和材料科学的丰富经验。 第一个领域是聚合工艺的改进。聚合物具有丰富的微观结构，如分子量、组成、序列、立构规整度、拓扑结构、功能性等，精密生产是成功的关键。数字化是趋势。一个项目是对具有复杂链结构的聚合物的生产进行建模和模拟。结合实验验证，它提供了在工业生产条件下的链形成的机理理解。另一个项目是通过机器和过程学习研究商业聚合物制造。利用人工智能和大数据的优势，它创新了商业制造流程，以开发新产品和升级现有产品。 第二个领域是开发智能材料。人类已经从机器中受益匪浅，这些机器可以把一种东西变成另一种东西。分子机器，如分子驱动器和马达，在最近几十年中引起了极大的关注。我的动机是探索和开拓中间规模的智能材料的设计和制造。一个项目是合成具有通过温度在硬和软之间切换的机械强度的水凝胶。另一个项目是开发通过机械作用在导体和绝缘体之间切换导电性的复合材料。这些发明具有作为可植入传感器和智能开关的应用。