Hydrated Calcium Silicate Erosion in Sulfate Environments a Molecular Dynamics Simulation Study

To investigate the micro-mechanism of the erosion of hydrated calcium silicate (C-S-H gel) in a sulfate environment, a solid-liquid molecular dynamics model of C-S-H gel/sodium sulfate was developed. This model employs molecular dynamics methods to simulate the transport processes between C-S-H gel and corrosive ions at concentrations of 5%, 8%, and 10% sodium sulfate (Na