Comparison of Dephosphorization Performance of Different Additives in Direct Reduction of High-Phosphorus Hematite and Molecular Dynamics Simulation
Experiments were carried out to compare dephosphorization performance of CaCO3,Na2CO3 and CaF2 in direct reduction roasting process of high-phosphorus hematite.It is found that Na2CO3 presents the best dephosphorization performance,followed by CaCO3.The molecular dynamics simulation was conducted to calculate the distribution of bridging oxygen and the mean square displacement(MSD)of oxygen atoms during the roasting process of the system with three different additives respectively,and the dephosphorization mechanism of CaCO3,Na2CO3,CaF2 during the direct reduction process of high-phosphorus hematite was explored.The results show that the mechanism of dephosphorization by additives is to inhibit reduction of apatite by increasing the content of free oxygen or the MSD of oxygen atoms in the system and reducing the oxygen atoms shared by Si and P in the system.It is found that the dephosphorization performance of additives is positively correlated with the MSD of oxygen atoms in the system.
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