Modeling the Fabrication of Functional Polymeric Materials by Spinodal Decomposition

通过旋节线分解模拟功能高分子材料的制造

• 批准号: RGPIN-2017-04373
• 负责人: Chan, Philip
• 金额: $ 1.75万
• 依托单位: Ryerson University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2018
• 资助国家: 加拿大
• 起止时间: 2018-01-01 至 2019-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=647134
• 关键词: Modeling; Fabrication; Functional; Polymeric; Materials

This proposed research program is part of the ongoing research that the applicant is pursuing on phase separation (spinodal decomposition) in polymer solutions and blends through mathematical modeling and computer simulation. Applications of phase separated polymer solutions and blends are found in: (1) polymeric membranes for separation processes, (2) polymer dispersed liquid crystal films for electro-optical devices and smart windows, (3) engineering polymer composite materials for purposes that require superior mechanical properties, and (4) polymeric microelectronic circuits and resists. The overall objective of this proposed research program is to develop a fundamental understanding of the morphological evolution of polymer solutions and blends undergoing phase separation (spinodal decomposition) to fabricate functional polymeric materials. The specific objectives are of this research proposal: (1) to model, simulate and characterize the morphology of polymer solutions and blends undergoing surface-induced phase separation in the presence of temperature and concentration gradients, (2) to model, simulate and characterize the morphology of polymer solutions and blends undergoing sequential quenching into the metastable and unstable regions of the phase diagram, and (3) to model, simulate and characterize the morphology of polymer solutions and blends undergoing pressure-induced phase separation in the presence of temperature and concentration gradients. Temperature and concentration gradients typically occur during polymer solutions and blends processing to fabricate functional polymeric materials.******The model will consist of the Cahn-Hilliard theory for phase separation and Flory-Huggins-de Gennes theory for polymer thermodynamics. The model will be solved using the finite difference and Galerkin finite element methods. The numerical results will be processed using scientific visualization software so that the models and numerical results can be validated with published experimental results. The morphology will be characterized by computing the structure factor and using scientific visualization in conjunction with digital image analysis.

该拟议的研究计划是申请人正在进行的研究的一部分，该研究旨在通过数学建模和计算机模拟研究聚合物溶液和共混物中的相分离（旋节线分解）。 相分离聚合物溶液和共混物的应用包括：(1) 用于分离过程的聚合物膜，(2) 用于电光器件和智能窗的聚合物分散液晶薄膜，(3) 用于需要优异性能的工程聚合物复合材料机械性能，以及（4）聚合物微电子电路和抗蚀剂。 该研究计划的总体目标是对聚合物溶液和共混物在相分离（旋节线分解）过程中的形态演变有一个基本的了解，以制造功能性聚合物材料。 该研究计划的具体目标是：(1) 对在温度和浓度梯度存在下经历表面诱导相分离的聚合物溶液和共混物的形态进行建模、模拟和表征，(2) 对聚合物溶液和共混物的形态进行建模、模拟和表征。聚合物溶液和共混物经历顺序淬火进入相图的亚稳和不稳定区域的形态，以及（3）对在温度和浓度存在下经历压力诱导相分离的聚合物溶液和共混物的形态进行建模、模拟和表征梯度。 温度和浓度梯度通常发生在聚合物溶液和共混物加工过程中，以制造功能性聚合物材料。******该模型将由用于相分离的 Cahn-Hilliard 理论和用于聚合物热力学的 Flory-Huggins-de Gennes 理论组成。 该模型将使用有限差分和伽辽金有限元方法求解。 数值结果将使用科学可视化软件进行处理，以便模型和数值结果可以通过已发表的实验结果进行验证。 通过计算结构因子并结合数字图像分析使用科学可视化来表征形态。