I want to perform equilibrium calculations for fly ash systems in reducing environment using Factsage 6.4. I could add the parameters for sio2 al2o3, etc but could not able to add any p (O2). Please help.
Thermodynamic modelling of slag formation undertaken using the FactSage model. This model successful in predicting the changes of gas, solid and liquid phases during pure pine, coal and co-combustion.
the underground gasification of lignite, UCG slag prepared through simulation tests of oxygen-enriched gasification under different atmospheric conditions, and the minerals were identified by X-Ray diffraction (XRD) and a scanning electron microscope coupled to an energy-dispersive spectrometer (SEM-EDS). Thermodynamic calculations performed using FactSage 6.4 used to help to understand the transformation of minerals. The results indicate that an increased oxygen concentration is beneficial to the reformation of mineral crystal after ash fusion and the resulting crystal structures of minerals also tend to be more orderly. The dominant minerals in 60%-O2 and 80%-O2 UCG slag include anorthite, pyroxene, and gehlenite, while amorphous substances almost disappear. In addition, with increasing oxygen content, mullite might react with the calcium oxide existed in the slag to generate anorthite, which could then serve as a calcium source for the formation of gehlenite. In 80%-O2 UCG slag, the iron-bearing mineral is transformed from sekaninaite to pyroxene. Thermodynamic calculations using FactSage 6.4 (Thermfact/CRCT, Montreal, QC, Canada; GTT-Technologies, Aachen, Germany) were also carried out to investigate the transformation of minerals at elevated temperatures during the UCG process.
You may use a mass input of O2 as and in result screen, you may check the changes in activity of oxygen in system. Then, you may able to calculate required value in order to get desired pO2 level for your system.