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Representation Reaction Abilities of Structural Units and Related Thermodynamic Properties in Fe– P Binary Melts Based on the Atom– M olecule Coexistence Theory
Author(s) -
Yang Xuemin,
Li Pengcheng,
Li Jinyan,
Zhang Meng,
Zhang Jianliang,
Zhang Jian
Publication year - 2014
Publication title -
steel research international
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.603
H-Index - 49
eISSN - 1869-344X
pISSN - 1611-3683
DOI - 10.1002/srin.201300036
Subject(s) - activity coefficient , binary number , thermodynamics , atom (system on chip) , chemistry , mass fraction , mole fraction , molecule , mass action law , coexistence theory , crystallography , physics , organic chemistry , arithmetic , mathematics , aqueous solution , computer science , embedded system , biochemistry , niche
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– N i 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 x P of P <0.33 in a temperature from 1406 K to 1973 K. The calculated mass action concentration N P of P or N Fe of Fe has a very good 1:1 corresponding relationship with the reported activity a R,P of P or a R,Fe of Fe relative to pure liquid P(l) or Fe(l) as standard state, and can be applied to substitute the measured activity a R,P of P or a R,Fe of Fe in Fe–P binary melts. The Raoultian activity coefficientγ P 0of P andγ Fe 0of 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 N i of structural units in Fe–P binary melts. The activity a R, i , a %, i , and a H, i of P or Fe relative to three standard states have been obtained. The values of the first‐order activity interaction coefficientϵ i iore i iorh i iof P and Fe related with activity coefficients γ i or f %, i or f H, i of P and Fe in Fe–P binary melts are also determined.