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@ARTICLE{Zhu:904029,
      author       = {Zhu, Mengyi and Wu, Guixuan and Azarov, Alexander and
                      Monakhov, Eduard and Tang, Kai and Müller, Michael and
                      Safarian, Jafar},
      title        = {{E}ffects of {L}a2{O}3 {A}ddition into {C}a{O}-{S}i{O}2
                      {S}lag: {S}tructural {E}volution and {I}mpurity {S}eparation
                      from {S}i-{S}n {A}lloy},
      journal      = {Metallurgical and materials transactions / B},
      volume       = {52},
      number       = {5},
      issn         = {0360-2141},
      address      = {New York, NY},
      publisher    = {Springer Sciences $\&$ Business Media},
      reportid     = {FZJ-2021-05599},
      pages        = {3045 - 3063},
      year         = {2021},
      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-(La2O3)-SiO2 slags and
                      Si-10 mass pct Sn melt was experimentally studied. B
                      distribution coefficient increased from 2.93 in binary
                      CaO-SiO2 slag to 3.33 and 3.65 with 2 and 10 mass pct La2O3
                      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 La2O3 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-La2O3-SiO2 system. It was
                      found that La3+ prefers to stay in the depolymerized region,
                      mostly connects with 6-7 non-bridging oxygen, and requires a
                      weak charge compensation with Ca2+. 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.},
      cin          = {IEK-2},
      ddc          = {660},
      cid          = {I:(DE-Juel1)IEK-2-20101013},
      pnm          = {1232 - Power-based Fuels and Chemicals (POF4-123)},
      pid          = {G:(DE-HGF)POF4-1232},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000664010100001},
      doi          = {10.1007/s11663-021-02232-4},
      url          = {https://juser.fz-juelich.de/record/904029},
}