Dissolution Characteristics at the Quartz-Water Interface in Different Environments: Insights from Molecular Dynamics Simulations

The data mainly includes crystal models used in molecular dynamics simulation research under different experimental conditions, in xsd format files that can be opened in BIOVIA Materials Studio (MS) software (Accelrys Inc.). In addition, there are quartz stress-strain experimental results and the data file for the relative concentration of silicon atoms in the system under different environmental pressures at pH=7.5 and 364 K.