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@ARTICLE{Zhu:904030,
      author       = {Zhu, Mengyi and Yue, Shengying and Wu, Guixuan and Tang,
                      Kai and Xu, Yijiang and Safarian, Jafar},
      title        = {{P} removal from {S}i by {S}i-{C}a-{A}l alloying-leaching
                      refining: {E}ffect of {A}l and the {C}a{A}l2{S}i2 phase},
      journal      = {Separation and purification technology},
      volume       = {271},
      issn         = {1383-5866},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2021-05600},
      pages        = {118675 -},
      year         = {2021},
      abstract     = {Phosphorus (P) is a critical impurity in
                      metallurgical-grade Si that needed to be removed for
                      solar-grade Si production. The Si-Ca-Al-P system is one of
                      the most crucial alloy systems for Si refining, where P can
                      be separated by either the Si-Al solvent refining or the
                      Si-Ca alloying-leaching process. In this work, a series of
                      Si-Ca-Al alloys were obtained to investigate the role of
                      alloy composition and the CaAl2Si2 phase in P segregation
                      and separation. The used alumina crucible led to heavy Al
                      contamination and resulted in unexpected Si-Ca-Al alloy
                      compositions. CaAl2Si2 and CaSi2 were found as the main
                      precipitates, and relatively higher P content was detected
                      in the CaAl2Si2 phase. Leaching experiments indicate that P
                      removal degree increases with increasing Ca/Al ratio and
                      increasing total alloying amount (Ca + Al). Effects of alloy
                      composition were further analyzed by statistical methods,
                      which indicates Ca firmly plays a strong, positive, and
                      monotonic role in P removal while no strong attraction
                      between Al and P. Theoretical P removal model for the
                      Si-Ca-Al system was established and in good agreement with
                      measured results. Interaction coefficients of Ca and Al to P
                      were fitted as and , which further confirms Ca is the
                      essential driving force for P segregation. Finally, the
                      possibility of P solid solution formation was verified by
                      first-principle simulations that both CaAl2Si2 and CaSi2 are
                      able to dissolve P, especially through the Si site, but the
                      CaAl2Si2 phase is more favourable for P dissolution than
                      CaSi2, which explains the reason of the often detected high
                      P content in CaAl2Si2.},
      cin          = {IEK-2},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-2-20101013},
      pnm          = {1231 - Electrochemistry for Hydrogen (POF4-123)},
      pid          = {G:(DE-HGF)POF4-1231},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000656879100003},
      doi          = {10.1016/j.seppur.2021.118675},
      url          = {https://juser.fz-juelich.de/record/904030},
}