Preparation and properties of geopolymer containing phosphoric acid-activated fly ash and mechanically-milled kaolinite: Experiments and density function theory

The environmental pollution resulted from the stacking of solid wastes, and the 250 kg CO2 emission caused by calcined a ton of kaolinite have become an urgent problem to be solved. In this study, a novel phosphoric acidactivated geopolymer was developed, which was composed of fly ash (FA), mechanically activated-kaolinite (MAK). The influences of phosphoric acid concentration, mechanical grinding duration, and curing temperature were investigated. Microstructural properties of FAMAK geopolymers were examined through a serious of tests. Furthermore, the Gibbs free energy and nano -scale structure characteristics of acid -activated hydration products were calculated for the first time by using density functional theory. The results show that the optimal mass ratio of FA to MAK is 7:3 with 8 mol/L phosphoric acid, which led to the maximum compressive strength of 36.6 MPa at 56 -day. Besides, the optimal grinding time is 3 h and temperature is 40 degrees C. Moreover, the content of silicon promotes the polymerization reaction. The valence and bonding of aluminum are primarily affected by its coordination number. The key outcomes in this study provides a low -carbon cementitious materials, which can achieve the double benefits of carbon reduction and the utilization of solid wastes.