Polymer Reaction Engineering Tools for Tailor-making Polymers with Desirable Application Properties

用于定制具有所需应用性能的聚合物的聚合物反应工程工具

• 批准号: RGPIN-2016-03785
• 负责人: Penlidis, Alexander
• 金额: $ 3.86万
• 依托单位: University of Waterloo
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2019
• 资助国家: 加拿大
• 起止时间: 2019-01-01 至 2020-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=690406
• 关键词: Polymer; Reaction; Engineering; Tools; Tailor

The objective of this proposal is to use polymer reaction engineering tools (mathematical modeling, statistical optimal model-based design of experiments, simulation/ optimization, micro-structural polymerization properties, and polymer modification) in order to tailor-make (select and design) polymer molecules with the appropriate architecture and properties for desirable applications (i.e., link polymerization process engineering with polymer molecule product engineering).***My students and I have been developing general and powerful polymer reaction engineering tools/approaches over the last 30 years. Recent examples include polyethylene with enhanced environmental stress crack resistance (for novel construction polymers); imparting long chain branching in polypropylene via UV modification (a balance between chain degradation and cross-linking) in order to increase the melt strength properties for stretching applications; water-soluble acrylamide-acrylic acid copolymers, which outperform the commercially available standards in enhanced oil recovery applications. The applications and importance of all of these polymeric materials in the Canadian economy (and in the training of highly qualified personnel, the future of science and engineering in Canada) are beyond any doubt. ****In the current proposal, we would like to exploit our powerful troubleshooting tools from polymer reaction engineering, in order to design polymeric molecules that could sense and detect small amounts (below 10 ppm) of toxic analytes (volatile organic compounds, VOCs). Our main target will be gaseous analytes, like ethanol (for drunk-driving prevention), acetaldehyde, acetone (for diabetic shock detection) and toluene/benzene; all common analytes on their own or as interferents during typical VOC detection. The class of polymeric materials we have in mind (an arsenal of about 50 potential polymers and co-polymers) can also be doped with appropriate metal oxides in order to enhance sensitivity. Current methods of developing sensing materials rely on rather brute force approaches, time consuming and costly, with a single analyte. Unique aspects of our approach, compared to the current state-of-the-art in the literature, will be: (a) A more direct approach of designing sensing materials based on how they interact with the target analyte (multiple sensing mechanisms, simultaneously). By understanding the chemical nature of an analyte and the most likely dominant sensing mechanism, it is possible to select polymeric sensing materials that will target the analyte. These polymers can be further tailored by modifying the main backbone, as well as by incorporating dopants. (b) A holistic study of not only the sensitivity to a single analyte, but a comprehensive study of sensitivity/selectivity/material stability/ response and recovery time to multiple analytes (target and interferents). **

该提议的目的是使用聚合物反应工程工具（数学建模、基于统计最优模型的实验设计、模拟/优化、微观结构聚合性质和聚合物改性），以便定制（选择和设计）具有用于期望应用的适当结构和性质的聚合物分子（即，将聚合过程工程与聚合物分子产品工程联系起来）。在过去的30年里，我和我的学生一直在开发通用的、功能强大的聚合物反应工程工具/方法。最近的例子包括具有增强的耐环境应力开裂性的聚乙烯（用于新型建筑聚合物）;通过紫外线改性（链降解和交联之间的平衡）赋予聚丙烯长链支化，以增加拉伸应用的熔体强度性能;水溶性丙烯酰胺-丙烯酸共聚物，其在提高石油采收率应用中的性能超过市售标准。所有这些聚合物材料在加拿大经济中的应用和重要性（以及在培养高素质人才方面，加拿大科学和工程的未来）是毫无疑问的。**** 在当前的提案中，我们希望利用聚合物反应工程中强大的故障排除工具，以设计可以感知和检测少量（低于10 ppm）有毒分析物（挥发性有机化合物，VOC）的聚合物分子。我们的主要目标是气态分析物，如乙醇（用于预防酒后驾驶），乙醛，丙酮（用于糖尿病休克检测）和甲苯/苯;所有常见的分析物本身或作为典型VOC检测过程中的干扰物。我们所考虑的聚合物材料类别（约50种潜在聚合物和共聚物的武库）也可以掺杂适当的金属氧化物以提高灵敏度。目前开发传感材料的方法依赖于使用单一分析物的相当暴力的方法，耗时且昂贵。与文献中的当前最先进技术相比，我们方法的独特方面将是：（a）基于传感材料如何与目标分析物相互作用（同时具有多种传感机制）设计传感材料的更直接方法。通过了解分析物的化学性质和最可能的主导感测机制，可以选择将靶向分析物的聚合物感测材料。 这些聚合物可以通过修饰主要骨架以及掺入掺杂剂来进一步定制。(b)不仅对单一分析物的灵敏度进行整体研究，而且对多种分析物（目标和干扰物）的灵敏度/选择性/材料稳定性/响应和恢复时间进行全面研究。**