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的生产和加工。聚合物是大分子，具有成千上万的小分子通过共价键一起在链中连接在一起。聚合物代表了三种主要类型的材料之一，其消耗量要比所有其他类型的合成材料都多。聚合物材料特性在很大程度上通过其链微观结构确定。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，过程的略有差异也可能导致完全不同的聚合物产物。 我的研究计划是在聚合物反应工程领域，该工程将实验室化学桥接到工业生产中。我的目标是研究聚合物反应工程的基础知识，并以高度要求的技能培训HQP。我建议在两个主要领域（四个项目）工作：（1）开发高级技术，使我们能够设计和生产具有靶向链微结构的聚合物，以及（2）开发智能材料，使我们能够将一件事（刺激）转换为另一种（刺激）（响应）。这项工作本质上是理论上的，也是实验性的，这是基于我在聚合物反应工程方面的力量，再加上在聚合物化学和材料科学方面的丰富经验。 第一个领域是数字化聚合过程。聚合物富含微观结构，例如分子量，组成，序列，战术性，拓扑，功能等。精确产生是成功的关键。数字化代表趋势。一个项目是建模并模拟具有复杂链结构的聚合物的生产。结合实验验证，它提供了对工业生产条件下链形成的机械理解。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AI和大数据的优势，它创新了商业制造过程，以开发新产品并升级现有产品。 第二个领域是开发智能材料。人类从将一件事转变为另一件事的机器中受益匪浅。热量运动，电力向电力，发光等。分子机器（例如分子执行器和电动机）在近几十年来引起了极大的关注。我有动力探索和开拓中级尺度上的智能材料的设计和制造，以进行转换。一个项目是合成通过温度在硬切换和软切换之间具有机械强度的水凝胶。另一个项目是开发具有机械作用切换的导体和绝缘体之间电导率的复合材料。这些发明具有可植入传感器和智能开关的应用程序。