文献类型：期刊文献

英文题名：Effect of pretreatment on the interfacial bonding strength between modified polyolefin and aluminum foil treated with trivalent chromium chemical conversion: Experimental, quantum chemical calculations and molecular dynamics simulation

作者：Xu, Jiajun[1];Xu, Shiai[1,2];Hao, Junzhe[1];Cao, Hailian[1];Miao, Han[1]

机构：[1]East China Univ Sci & Technol, Sch Mat Sci & Engn, Shanghai 200237, Peoples R China;[2]Qinghai Univ, Sch Chem Engn, Xining 810016, Peoples R China

年份：2024

卷号：644

外文期刊名：APPLIED SURFACE SCIENCE

收录：;EI(收录号：20234414993512);WOS:【SCI-EXPANDED(收录号:WOS:001102805600001)】；

基金：The authors are grateful for the financial support provided by the Shanghai Pujiang Program (Grant No. 21PJ1402100) , the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 52203258) .

语种：英文

外文关键词：Lithium-ion battery package; Trivalent chromium chemical conversion; Pretreatment; Metal-polymer adhesion; Quantum chemical calculations; Molecular dynamics simulation

摘要：Good adhesive strength and joint durability are necessary for aluminum (Al)/polymer laminated film for lithiumion battery packages. A pretreatment method involving alkaline degreasing followed by acid pickling was employed to treat the Al foil surface to facilitate the deposition of trivalent chromium [Cr(III)] conversion coating on the surface. The adhesive strength between propylene-based elastomer grafted glycidyl methacrylate (GMA-g-PBE) and Cr(III)-converted Al foil pretreated with 0.5 M HF pickling was 51% higher than Cr(III)converted Al foil without pretreatment. Moreover, the effect of different pretreatments on the interfacial bond strength of GMA-g-PBE/Cr(III)-converted Al foil was studied from macroscopic to microscopic perspectives. The results indicate that the pretreatment of 0.5 M HF pickling results in complete coverage of the Cr(III) compounds and the formation of a thicker Cr(III) conversion coating on the Al foil compared to other pretreatments. A higher content of Cr(III) compounds results in an increased surface free energy of Cr(III)-converted Al foil, improving the wettability of adhesive melt on the substrate and enhancing the adhesion strength. Moreover, quantum chemical calculations and molecular dynamics simulations were used to investigate the interface bonding mechanism, and the results indicate that GMA in the adhesive exhibits a higher binding energy with Cr(III) oxides and hydroxides compared to Al oxides and hydroxides.