Computer modelling of the thermal conductivity of polymer systems

聚合物系统热导率的计算机建模

• 批准号: 2131968
• 金额: --
• 依托单位: Loughborough University
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2018
• 资助国家: 英国
• 起止时间: 2018 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2131968
• 关键词: Computer; modelling; thermal; conductivity; polymer

The thermal conductivity of polymers, for example, ultra-high molecular weight polyethylene (UHMWPE), has been investigated experimentally. Depending on the draw ratio of the polymer, the thermal properties can vary from a very strong insulator to almost metallic-like values of thermal conductivity.In this project, long timescale molecular dynamics simulation to investigate the dependence of thermal conductivity on properties of polymeric systems such as UHMWPE. We will investigate the effect of polymer structures (chain length, degree of crystallinity, draw ratio) on thermal conductivity. The overall aim is to understand the microscopic and mesoscopic structures which control the thermal properties of the polymer, and allow us to optimise the properties of polymeric systems for specific applications.

对超高分子量聚乙烯（UHMWPE）等高分子材料的导热性能进行了实验研究。根据聚合物的拉伸比，热性能可以从非常强的绝缘体变化到几乎金属般的热导率值。在本项目中，长时间尺度的分子动力学模拟研究了聚合物系统（如UHMWPE）的热导率对性能的依赖性。我们将研究聚合物结构（链长，结晶度，拉伸比）对热导率的影响。总体目标是了解控制聚合物热性能的微观和介观结构，并使我们能够优化特定应用的聚合物系统的性能。