聚合物注射成型取向微宏观物理场定量理论与数值计算方法研究

Study on the dynamic mechanism between the polymer entanglement macromolecular chain conformation evolution and orientation morphology during injection molding produce with the complex physical fields. And the polymer orientation configuration viscoelastic physical models and its tensorial characterization are build up. Study on the intrinsic mechanism of temperature, stress and material properties influencing on the orientation structure of the polymer entanglement macromolecule chains. The relationship between molecules configuration evaluation and orientation stress is investigated, and the corresponding quantitative models are established. The influencing laws of process parameters on the polymer molecules configuration evaluation during filling stages are investigated, and the quantitative relation models between them are constructed by multiple nonlinear regression method. The theories of process control and micro morphology optimization technology have also been proposed. The quantum mechanics mathematical description of polymer molecules migration and orientation configuration during injection molding produce under the physical fields. The Initial conditions as well as boundary method is also be reduced. The experiments, characterization and evaluation standards of the in-suit/off-line observation theories of molecules chain orientation morphology has also been elucidated. Project has novelty of the research content and research method, the application of the theory is scientific and clear background. The results of this project will reveal the physical mechanisms and dynamic behaviors of the orientation formation in filling and packing stages, which will easily link the macro physical quantity to polymer micro structure configuration. Such research is a primal necessity for enriching and in-depth our understanding of polymer processing molecular evolution theory. Moreover, the application of this technology and the theoretical basis provides have both important scientific significance and application values for promoting social technology progress.

研究聚合物注射成型复杂物理场流动行为与分子形态演化规律，建立取向形成过程大分子链构象演化粘弹性物理模型及其动态张量表征方法；揭示聚合物形成相有序微结构形态的动力学机制，建立可有效表征聚合物取向形态与力学行为关系的微尺度理论模型；阐明聚合物取向微结构形态与宏观工艺变量的响应机制，建立起可测宏观物理量与高分子构象及聚集态结构之间的定量关系；研究柔性大分子链定向迁移与排布的量子力学数学描述、初始边界理论与收敛计算方法，为相关模型理论提供技术验证与理论支撑；研究聚合物取向形态原位与离线测量的实验、表征与评价体系，实现相关理论模型的工程实用化。项目具有研究内容与方法上的新颖性、理论上的科学性与明确的应用背景，其研究将揭示聚合物成型形成相有序微结构的物理机制，实现把聚合物微结构形态与宏观性能联系起来，其成果既是丰富和深入认识聚合物成型加工分子形态演化理论的需要，又对推动学科发展具有重要的科学意义。

研究聚合物剪切流态与结构演化并揭示其微观形变历史，建立起可测宏观量与高分子聚集态结构之间的定量关系，具有较大的理论意义与工程价值。本项目重点在聚合物宏微观形变模型理论、流-固耦合聚合物构象演化与分子迁移机制、聚合物流态演化实验、工艺优化及工程实用化等方面开展研究，取得如下成果：.以聚合物缠结链为研究对象，将其剪切形变过程看作是虚拟的构象球-构象椭球-构象管道的动态过程，定义末端距矢量（ETEV）于虚拟极轴，建立起一种可以更客观地表征聚合物取向及其粘弹性形变特征的全新的大分子链等效ETEV动态矢量模型。.基于分子论方法，通过研究体系熵等变化以探究聚合物形态演化的热力学与动力学诱因，推导得到包含分子结构信息的特定物理场聚合物变形与应力关系模型。探讨了相关模型的瞬时性与连续性，验证其与经典K-BKZ模型的一致性；基于流变与分子模拟实验，实现了模型显性化表征，通过与经典Power law模型和Cross模型比较，探究其物理意义，验证其科学性。.构建了包含大分子结构信息的流场分子模型，研究了聚合物材料在宏尺度剪切流场型腔域内的分子结缠、取向及松弛变形机制，以及液-固相变过程中链形态和结构演化规律；研究了热边界作用下微尺度多模态界面体系的润湿、滑移与铺展规律，以及界面结构特征与材料物化性能对聚合物流态及其界面演化的影响机制。.开发了“三明治”窗口可视化实验模具及其在线测试系统，实现了注塑成型聚合物流态演化的动态检测，以典型产品为例研究了工艺因素对剪切速率、取向与结晶形态的影响规律；基于响应曲面法实现了制品成型品质的多目标优化，并将优化结果应用于企业的试验生产，得出符合厂家质量需求的成型产品。.项目成果既是丰富和深入认识聚合物成型加工理论的需要，又对推动学科发展具有重要的科学意义与工程应用价值。