Simulation of adaptive polymer gels with controled network structure

这个项目使用基于晶格的蒙特卡罗技术对两亲共网络进行了大规模的模拟，允许解释在这种网络上的实验结果，并改进现有的关于所产生的材料性质的理论方法。主要集中在不同网络组件的结构形成、微观相分离作为外部刺激的函数，包括网络组件的亲水性或疏水性、溶剂类型和菌株。在与该研究网络内的实验合作伙伴的密切合作下，应作为各种控制参数的函数来研究测试分子的嵌入、存储以及可能的各向异性传输。除了第一个资助期的主题外，还应审查由核-壳型星形聚合物组成的网络，并用不可逆键和可逆键的组合取代星形聚合物之间的唯一共价键。

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.