Molecular dynamics insights into the interfacial interactions of natural rubber and nylon 6,6 with carbon nanotubes
The microscopic structure, interfacial energetics, and localized transport kinetics of natural rubber (NR) and nylon 6,6 (NY) matrices close to bare, hydroxylated (–OH), and carboxylated (–COOH) carbon nanotubes (CNTs) were examined using molecular dynamics simulations (MD). Surface functionalization significantly modi...