Modeling and computation of solvent penetration in glassy polymers

玻璃态聚合物中溶剂渗透的建模和计算

• 批准号: 148911900
• 负责人: Professor Dr.-Ing. Paul Steinmann
• 金额: --
• 依托单位: Abteilung Maschinenbau
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2009
• 资助国家: 德国
• 起止时间: 2008-12-31 至 2012-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/148911900?language=en
• 关键词: Modeling; computation; solvent; penetration; glassy

The main goal of this proposal is the computational modeling of solvent penetration in glassy polymers. For most engineering applications, Fick s law accurately describes diffusive processes, but one of the applications where it miserably fails is in glassy polymers near the glass transition temperature. In the vicinity of the glass transition temperature, when a low molecular weight solvent diffuses into a glassy polymer, the latter is caused to undergo a rubber-glass phase transition. The diffsive process follows non-Fickian behavior. Whereas the classical Fickian diffusion is referred to as case I diffusion, diffusion in glassy polymers is known as non-Fickian „case II diffusion“. A typical system undergoing case II diffusion is polymethylmethacrylate (PMMA) and methanol, for example.Modeling polymers which undergo case II diffusion is of particular interest in pharmaceutical and automotive industries, for example. Due to the importance of diffusion in many industrial and biological processes, a complete examination from a variety of perspectives and techniques is necessary. One tool at hand is the computational modeling at which this project aims. Hereby, an all-embracing theoretical model is to be set up extending existing approaches. Thus the very challenging modeling of non-Fickian behavior is one main task of this project. The numerical implementation of this ambitious theory is to be done subsequently in order to computationally model distinct typical applications from engineering or biomechanics.

该提案的主要目标是偿付能力聚合物的计算建模。对于大多数工程应用，Fick的定律准确地描述了不同的过程，但是它惨败的应用之一是在玻璃过渡温度附近的玻璃聚合物中。在玻璃过渡温度的附近，当低分子量溶解性聚合物时，后者会导致橡胶玻璃相变。差异过程遵循非盲目行为。虽然经典的长野扩散被称为情况I扩散，但玻璃状聚合物的差异被称为非菲克“案例II扩散”。例如，经历II病例扩散的典型系统是聚合物甲基丙烯酸酯（PMMA）和甲基戊二醇。由于扩散在许多工业和生物学过程中的重要性，因此必须从各种角度和技术进行完整的检查。手头的一种工具是该项目目标的计算建模。在此，将设置一个全体理论模型，以扩展现有方法。非挑剔行为的挑战建模是该项目的主要任务。该雄心勃勃的理论的数值实施应随后进行，以便在计算上对工程或生物力学的不同典型应用进行模型。