Effect of SO ₄ ²⁻ on Interface Compatibility and Mechanical Property of Diethylbenzene Crosslinked Polystyrene/CeO ₂ Composites

ABSTRACT Divinylbenzene crosslinked polystyrene (P(S‐DVB)) was synthesized via soap‐free emulsion polymerization, using potassium persulfate as the initiator to obtain SO 4 2− modified P(S‐DVB). To investigate the effect of SO 4 2− modification on the interfacial compatibility of P(S‐DVB)/CeO 2 core‐shell composite abrasives, the adsorption configurations, relative concentration distributions, and adhesion work of 0, 5, and 10 SO 4 2− modified P(S‐DVB) surfaces and CeO 2 (111)‐Ce, CeO 2 (100)‐Ce, CeO 2 (110) surfaces were analyzed using molecular dynamics simulation method based on Newtonian mechanics. The P(S‐DVB)‐SO 4 /CeO 2 (111)‐Ce interface with the best compatibility was found. The mechanical properties of the P(S‐DVB)‐SO 4 /CeO 2 (111)‐Ce interface in resisting compressive and shear loads during composite abrasive polishing were studied. The stress–strain curve distribution and yield stress variation of three P(S‐DVB)‐SO 4 /CeO 2 (111)‐Ce interfaces were analyzed after applying compression and shear strain rates of 0.2, 0.3, and 0.4/ps. The mechanism by which SO 4 2− modification enhances the interfacial compatibility of P(S‐DVB)/CeO 2 composite abrasives was elucidated.