Proposing new pozzolanic activity index based on water adsorption energy via molecular dynamics simulations

Nowadays pozzolans are widely used as cement replacement materials in concrete because of their environmental, mechanical and durability benefits. The pozzolans activities vary under the influence of their Nano-structures and chemical compositions. In this paper, molecular dynamics simulations were employed to propose a new method to simply compare the activity of pozzolans. For this purpose, the adsorption of water molecules on the surfaces of...