Influence of Water Concentration on Its Mobility in Matrimid

摘要: Mobility of water in polyheteroarylene (Matrimid®) was simulated at 300 K and different concentrations (0.5 wt.%–3 wt.%). Parameters anomalous diffusion were calculated from molecular dynamics simulations on the base mean square displacements molecules. It found that mobility has nonmonotonic dependence its concentration. Lower rates below than 1 wt.% can be attributed to sorption onto polar groups polymer (sorption sites). Decreasing rate with increasing concentration is due formation clusters molecules, which hampers penetration between chains.