Multiscale simulations to elucidate the mass transport through plastics with PECVD coating (B06*)

在这个子项目中，将建立一种多尺度模拟方法，以阐明和量化PECVD涂层塑料中以孔为主的质量传输的比例。用氧蚀刻法实验测定了孔的分布，并补充了确定孔的总体积(B3，B7)的方法。这使得可以得出关于纳米级孔的大小分布和单个组分的重量的结论。模拟结合了连续介质力学方法和半经典原子分子动力学方法。

In this subproject, a multiscale simulation method will be established in order to elucidate and quantify the proportion of pore-dominated mass transport through plastics with PECVD coatings. The pore distribution is determined experimentally using the oxygen etching method and supplemented with methods to determine the total volume of the pores (B3, B7). This allows conclusions about the size distribution of the nanoscale pores and the weighting of the individual components. The simulation combines both continuum mechanical approaches and semi-classical atomic molecular dynamic methods.