On the phase chemistry of Portland cement clinker

This paper describes the formation of a phosphorous belite solid solution and its impact on alite formation. A sub-solidus phase relation for the ternary system silicon dioxide–calcium oxide–phosphorus pentoxide (SiO₂–CaO–P₂O₅) is reported. The ternary system is based on Rietveld refinements of X-ray diffraction patterns from experimental tests. The overall picture is based on known phase diagrams, relevant Rietveld refinements models, stoichiometric relationships as a function of increasing phosphorus pentoxide concentration and vacancy theories for solid solutions of phosphate belites. A tool is developed for predicting the chemistry of the product as well as the chemistry during heating when producing Portland cement clinker. A thermodynamic database for phase chemistry calculations of clinkering reactions has been created and evaluated. Suitable compounds and solution species have been selected from the thermochemical database included in FactSage software. Some solution compositions have been uniquely designed to allow for the proper prediction of the cement clinker chemistry. The calculated results from the developed database for heating raw materials in cement clinker production and cooling of the product are presented in this paper. The calculated results provide a good prediction of the phases and quantities formed during heating and non-equilibrium cooling. The prediction of the amounts of alite, belite and aluminoferrite phases in the product according to the Scheil method is good. The temperature interval for the existence of all of the major phases is relevant. The thermodynamic data for a solution phase of alite with substituting ions of primarily magnesium oxide and phosphorus pentoxide would improve the predictability of the developed database.