Abstract
During the demolding process, the interfacial interaction between the polymer and the metal mold insert will lead to the deformation of the micro-structure, which will directly affect the molding quality and performance of injection molded microfluidic chips. In this study, the demolding quality of micro-channels and micro-mixing structures of polycarbonate (PC), polymethyl methacrylate (PMMA), cyclic olefin copolymer (COC), and polystyrene (PS) microfluidic chips for heavy metal detection were investigated by molding experiments. The experimental results showed that the structures of microfluidic chips could be completely replicated. However, tensile deformation and fracture defects were observed at the edges of the micro-structures after demolding. Compared to the Ni mold insert, the calculation of the relative deviation percentages showed that the width of the micro-channel became larger and the depth became smaller, while the dimensions of the micro-mixing structure changes in the opposite direction. Subsequently, a molecular dynamics (MD) simulation model of polymer/nickel (Ni) mold insert for injection molding was established. The changes of adhesion work, demolding resistance and potential energy during demolding were analyzed. The simulation results showed that the polymer structures had some deformations such as necking, molecular chain stretching and voids under the action of adhesion work and demolding resistance. The difference in the contact area with the mold insert directly brought different interfacial interactions. In addition, the potential energy change of the polymer system could be used to quantitatively characterize the demolding deformation of the structure. Overall, the MD method is able to effectively explain the internal mechanisms of interfacial interactions, leading to the demolding deformation of polymer structures from the molecular/atomic scale.