Temperature dependence of interfacial reactions of sodium aluminosilicate glasses from reactive molecular dynamics simulations

•This paper reports a comprehensive study of surface and interfacial reactions of sodium aluminosilicate glasses.•Reactive potential based molecular dynamics simulations were performed to understand the aluminosilicate glass – water interfacial reactions.•Six sodium aluminosilicate glasses covering per alumina and per alkali compositions were studied with large simulation. Glass model contains aound 10,000 atoms and the whole interface model contains over 26,000 atoms with reactive simulations for up to 4 nano-seconds reactions (4x107 steps).•Glass-water reactions were investigated at four different temperatures ranging from room temperature to 90°C to understand the temperature effect on reaction mechanisms and kinetics. Dissolved Na+ concentration and solution pH values monitored.•Higher temperature accelerates silanol formation. Hydrolysis of Al-O-Al and Si-O-Al linkages are more facile than Si-O-Si linkages. Higher alumina content or Al/Na ratio leads to a decrease in leached Na+ in the solution and lower pH values.•Dissolved Na+ in the solution show different composition dependence with increasing temperature. Reaction mechanism of silanol and aluminol formation are proposed.