MOLECULAR DYNAMICS INVESTIGATION FOR THE IMPACT OF METAKAOLIN ON MECHANICAL PROPERTIES OF THE ORDINARY PORTLAND CEMENTAbstract
The incorporation of Ordinary Portland cement with additional cementing materials is one of the most efficient methods to improve its microscopic properties. The aim of this work is to investigate the effect of metakaolin on Portland cement performance by using theoretical methods. 14 Å tobermorite was used as an alternative familiar molecular structure in representing Ordinary Portland cement. A constituting theoretical model has been constructed to describe the structure of Portland cement mixed with different ratios of metakaolin. This model was subjected to molecular dynamics simulations, and force field methodologies were employed to investigate the mechanical properties behavior. The results revealed an effective influence of metakaolin on the mechanical stiffness properties of Portland cement. The values of mechanical stiffness parameters (Bulk, Shear, and Young’s Modulus) were increased by increasing the metakaolin concentration.
R. K. Hussein *, A. T. Hassan and A. Alkaoud
Department of Physics, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, KSA.
24 July 2020
19 August 2020
22 September 2020
01 October 2020