Simulation of adaptive polymer gels with controled network structure

该项目采用基于晶格的蒙特卡罗技术对两亲性共网络进行大规模模拟，允许解释此类网络的实验结果，并改进现有的理论方法，以获得所得材料特性。主要的焦点将放在结构的形成，微相分离不同的网络组件作为外部刺激的功能，包括网络组件的亲疏水性质，溶剂的类型和应变。在这个研究网络中的实验伙伴的密切合作下，测试分子的嵌入、存储和可能的各向异性传输将作为各种控制参数的函数进行研究。除了第一个资助期的课题外，还将研究由核壳星聚合物组成的网络，并将星之间的共价键替换为不可逆键和可逆键的组合。

This project emplys large scale simulations of amphiphilic co-networks using lattice-based Monte Carlo techniques, allowing to interpret experimental findings on such networks and to improve existing theoretical approaches for the resulting material properties. The main focus will be on structure formation, micro phase separation of different network components as a function of external stimuli, including hydrophilic or hydrophobic properties of the network components, type of solvent, and strain. In close collaboration with the experimental partners within this research network, embedding, storage, and possibly anisotropic transport of test molecules shall be investigated as a function of various control parameters. In addition to the topics of the first funding period, networks consisting of core-shell star polymers shall be examined, and exclusively covalent bonds between stars shall be replaced by combinations of irreversible and reversible bonds.