Effects of La2O3 Addition into CaO-SiO2 Slag: Structural Evolution and Impurity Separation from Si-Sn Alloy

Abstract Boron (B) and phosphorus (P) are the most problematic impurities to be removed in the production of solar-grade silicon by the metallurgical process. In this work, the distribution of B and P between CaO-(La 2 O 3 )-SiO 2 slags and Si-10 mass pct Sn melt was experimentally studied. B distribution coefficient increased from 2.93 in binary CaO-SiO 2 slag to 3.33 and 3.65 with 2 and 10 mass pct La 2 O 3 additions, respectively. In the followed acid-leaching experiments, the slag-treated Si-Sn alloys exhibited higher B and P removal than that of the initial alloy without slag treatment. Molecular dynamics simulations were performed to study the effect of La 2 O 3 addition on the slag structural and transport properties. A novel oxygen classification method was proposed to distinguish the different structural roles of La and Ca in the CaO-La 2 O 3 -SiO 2 system. It was found that La 3+ prefers to stay in the depolymerized region, mostly connects with 6-7 non-bridging oxygen, and requires a weak charge compensation with Ca 2+ . Possible silicothermic reduction was evaluated to discuss the slag chemistry and the mass transfer between slag and metal phase. A thermodynamic model was derived to theoretically study the alloying effect on impurity distribution in slag refining where positive interaction coefficient and high alloying concentration were found most beneficial to improve the impurity removal.