biostudies-literatureUnknown11(5)Wu BMineral-water interfacial reactions exert profound impacts across multiple fields. In this study, we employed classical molecular dynamics (CMD) simulations to investigate the reaction characteristics at the quartz-water interface under varying conditions. Research has revealed that the quartz-water interface serves as a crucial material exchange channel during the reaction processes, and the interface is at the forefront of dissolution reactions. During the reaction, a portion of hydrogen atoms from the aqueous solution enters the crystal interior, while hydroxyl hydrogen atoms and oxygen atoms on the quartz surface migrate to both the solution and the crystal interior. Dissolved silicon atoms also migrate into the solution, with all of these processes occurring across the quartz-water reACS omega7105-7114https://www.ebi.ac.uk/biostudies/studies/S-EPMC12902862biostudies-literatureDissolution Characteristics at the Quartz-Water Interface in Different Environments: Insights from Molecular Dynamics Simulations.PMC12902862Zhou LCao YSun SJiang XWu BLou HWang JfalseDissolution Characteristics at the Quartz-Water Interface in Different Environments: Insights from Molecular Dynamics Simulations.Mineral-water interfacial reactions exert profound impacts across multiple fields. In this study, we employed classical molecular dynamics (CMD) simulations to investigate the reaction characteristics at the quartz-water interface under varying conditions. Research has revealed that the quartz-water interface serves as a crucial material exchange channel during the reaction processes, and the interface is at the forefront of dissolution reactions. During the reaction, a portion of hydrogen atoms from the aqueous solution enters the crystal interior, while hydroxyl hydrogen atoms and oxygen atoms on the quartz surface migrate to both the solution and the crystal interior. Dissolved silicon atoms also migrate into the solution, with all of these processes occurring across the quartz-water re2026-01-01T00:00:00Z2026 Feb2026-07-15T21:57:37.075Z2026-07-09T13:09:11.435ZS-EPMC129028624169624610.1021/acsomega.5c05887