Modeling the Fabrication of Functional Polymeric Materials by Spinodal Decomposition

这项拟议的研究计划是申请人正在进行的通过数学建模和计算机模拟对聚合物溶液和混合物中的相分离(调幅节点分解)进行的研究的一部分。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)用于光电器件和智能窗口的聚合物分散液晶薄膜，(3)用于要求优异机械性能的工程聚合物复合材料，以及(4)聚合物微电子电路和抗蚀剂。这项拟议的研究计划的总体目标是对经历相分离(调幅分解)以制备功能聚合物材料的聚合物溶液和共混物的形态演变有一个基本的了解。这项研究的具体目标是：(1)模拟、模拟和表征在存在温度和浓度梯度的情况下发生表面诱导相分离的聚合物溶液和共混物的形态；(2)模拟、模拟和表征在相图亚稳和不稳定区域连续冷却的聚合物溶液和共混物的形态；(3)模拟、模拟和表征在存在温度和浓度梯度的情况下发生压力诱导相分离的聚合物溶液和共混物的形态。温度和浓度梯度通常发生在聚合物溶液和共混过程中，以制备功能聚合物材料。该模型将包括用于相分离的Cahn-Hilliard理论和用于聚合物热力学的Flory-Huggins-de Gennes理论。采用有限差分法和伽辽金有限元方法对模型进行求解。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与已发表的实验结果进行验证。形态将通过计算结构因子和使用科学可视化与数字图像分析相结合来表征。

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.