Abstract This study presents a molecular dynamics investigation of braid-reinforced hollow fiber membranes to elucidate the interfacial and mechanical behaviors of polymeric composites composed of cellulose acetate (CA) and polyacrylonitrile (PAN). The analysis focuses on three representative configurations, homogeneous (CA/CA-II), semi-heterogeneous (PAN|CA/CA-I), and heterogeneous hybrid (CA/PAN-III), to evaluate their interfacial energies, adhesion mechanisms, and tensile responses.