Thermal conductivity of filled diblock copolymers and polymer blends.

作为在第一个资助期（PW）进行的研究的延伸，拟议的更新项目旨在定量了解填充二嵌段共聚物（DBC）和聚合物共混物（PB）的热导率。此外，我打算扩展的电导率计算在PW填充的DBC在更复杂的情况下，填充的二元PB。实验上已知PB经历宏观相分离成连续/不连续（“海岛”）或共连续宏观相，其施加填料的不同优先位置。我推测，温度引起的PB和DBC的形态变化引起的填料分布的变化导致这些复合材料的热导率的实质性变化。因此，该项目试图定量地阐明以下之间的关系：（i）DBC微相或PB大相的温度定向形态结构;（ii）填料在相分离的DBC和PB中的优先位置，这取决于它们对聚合物物种的亲和力和填料间的相互作用;（iii）复合材料的热导率（对于DBC和PB）和电导率（对于PB），其由在这些复合材料中形成的填料网络的结构确定。所描述的目的将通过开发一个多尺度模型来实现，该模型依赖于主体聚合物系统的相场模型，Monte Carlo模拟和填料的电阻器网络模型的组合。所获得的理论预测将通过测量填充有导电炭黑填料的所选PB和DBC的电导率和热导率进行实验验证。

As an extension of the research performed in the first funding period (PW), the proposed renewal project aims at quantitative understanding of the thermal conductivity of filled diblock copolymers (DBC) and polymer blends (PB). In addition, I intend to extend the electrical conductivity calculations performed in PW for filled DBC over the more complicated case of filled binary PB. PB are experimentally known to experience macro-phase separation into continuous/discontinuous (“sea-island”) or co-continuous macro-phases that impose different preferential locations of fillers. I surmise that changes in the filler distribution caused by temperature-induced morphological changes in PB and DBC result in substantial changes in the thermal conductivity of these composites. The project therefore seeks to quantitatively elucidate the relationship among: (i) the temperature-directed morphological structure of DBC microphases or PB macrophases; (ii) the preferential location of fillers in phase-separated DBC and PB determined by their affinities for polymer species and the inter-filler interactions; (iii) the thermal (for DBC and PB) and electrical (for PB) conductivities of the composites determined by the structure of the filler network formed in these composites. The described purposes will be achieved by developing a multiscale model that relies on the combination of phase field models for host polymer systems, Monte Carlo simulations and resistor network models for fillers. The obtained theoretical predictions will be verified experimentally by performing the measurements of the electrical and thermal conductivities of selected PB and DBC filled with conductive Carbon Black fillers.