Get access

Representation Reaction Abilities of Structural Units and Related Thermodynamic Properties in Fe–P Binary Melts Based on the Atom–Molecule Coexistence Theory

Authors

  • Xue-min Yang,

    Corresponding author
    1. State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, P. R. China
    • State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing100190P. R. China

    Search for more papers by this author
  • Peng-cheng Li,

    1. State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, P. R. China
    2. School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing, P. R. China
    Search for more papers by this author
  • Jin-yan Li,

    1. State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, P. R. China
    2. School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing, P. R. China
    Search for more papers by this author
  • Meng Zhang,

    1. State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, P. R. China
    2. Beijing Metallurgical Equipment Research Design Institute Company Limited, China Metallurgical Group Corporation, Beijing, P. R. China
    Search for more papers by this author
  • Jian-liang Zhang,

    1. School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing, P. R. China
    Search for more papers by this author
  • Jian Zhang

    1. School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing, P. R. China
    Search for more papers by this author

Abstract

A thermodynamic model for calculating the mass action concentrations of structural units in Fe–P binary melts based on the atom–molecule coexistence theory, i.e., AMCT–Ni model, has been developed and verified through comparing with the reported activities of both P and Fe in Fe–P binary melts with mole fraction xP of P <0.33 in a temperature from 1406 K to 1973 K. The calculated mass action concentration NP of P or NFe of Fe has a very good 1:1 corresponding relationship with the reported activity aR,P of P or aR,Fe of Fe relative to pure liquid P(l) or Fe(l) as standard state, and can be applied to substitute the measured activity aR,P of P or aR,Fe of Fe in Fe–P binary melts. The Raoultian activity coefficient math formula of P and math formula of Fe in the infinitely dilute solution of Fe–P binary melts in a temperature from 1406 K to 1973 K have been determined from the calculated mass action concentrations Ni of structural units in Fe–P binary melts. The activity aR,i, a%,i, and aH,i of P or Fe relative to three standard states have been obtained. The values of the first-order activity interaction coefficient math formula or math formula or math formula of P and Fe related with activity coefficients γi or f%,i or fH,i of P and Fe in Fe–P binary melts are also determined.

Ancillary