Polypropylene grafted calcium alginate with mesoporous silica (PP-g-CaAlg@SiO 2) for adsorbing Bisphenol A (BPA) and Pb2+ was prepared by calcium chloride (CaCl 2) crosslinking and hydrochloric acid solution treatment. The PP-g-CaAlg@SiO 2 was characterized by SEM, TEM, BET, XRD, FTIR and TG. PP-g-CaAlg@SiO 2 exhibited excellent adsorption capacity for BPA and Pb2+, because the formation of reticulated nanorod structure increased its specific surface area. Subsequently, the adsorption behaviours of BPA and Pb2+, including adsorption isotherms and adsorption kinetics, were investigated. Afterward, isothermal titration calorimetry (ITC) and molecular dynamics (MD) simulation were performed to explore the adsorption mechanism. The results indicated that hydrogen bonding played the leading role in the adsorption of BPA, while the bonding of Pb2+ to carboxyl group binding sites was the focus of Pb2+ adsorption. In addition, the adsorption capacity of PP-g-CaAlg@SiO 2 was stable over 10 cycles. • PP fiber was combined with NaAlg and NaSiO 3 to prepare adsorbent for BPA and Pb2+. • CaSiO 3 @SiO 2 nanorods were formed on the surface of PP fibers. • Adsorption mechanism was investigated by ITC and MD simulation. • The adsorbent had the advantages of green, recyclable and wide application. [ABSTRACT FROM AUTHOR]