The battle against the COVID-19 pandemic counters the waste management system, as billions of single-use face masks are used per day all over the world. Proper disposal of used face masks without jeopardizing the health and the environment is a challenge. Herein, a novel method for recycling of medical face masks has been studied. This method incorporates the nonwoven polypropylene (PP) fiber, which is taken off from the mask after disinfecting it, with acrylonitrile butadiene rubber (NBR) using maleic anhydride as the compatibilizer, which results in a PP−NBR blend with a high percentage economy. The PP−NBR blends show enhanced thermomechanical properties among which, 70 wt % PP content shows superior properties compared to other composites with 40, 50, and 60 wt % of PP. The fully Atomistic simulation of PP-NBR blend with compatibilizer shows an improved tensile and barrier properties, which is in good agreement with the experimental studies. The molecular dynamics simulation confirms that the compatibility between non-polar PP and polar NBR phases are vitally important for increasing the interfacial adhesion and impeding the phase separation.