A Molecular Dynamics Study of Diffusivity of Chloride Ions in Concrete for Various Types of Cement

Abstract

This study investigated the change of diffusivity of chloride ions in concrete for different types of cement. Molecular Dynamics (MD) simulation was used to investigate this. MD simulation was done by the Fortran 95 code. Ordinary Portland cement (OPC), Modified cement (MC), Rapid-hardening Portland cement (RHC), and Low-heat Portland cement (LHC) were examined. The result shows that for OPC diffusivity of chloride ions is lowest and for MC diffusivity of chloride ion is highest. For RHC and LHC diffusivity of chloride ion is almost same. Chloride diffusivity for RHC and LHC is greater than OPC and less than MC.