Critical assessment of three kinds of activity coefficients of carbon and related mixing thermodynamic functions of Fe�CC binary melts based on atom�Cmolecule coexistence theory
1 CAS Key Laboratory of Green Process and Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China 2 Department of Metallurgy and Raw Materials, China Metallurgical Industry Planning and Research Institute, Beijing 100711, China 3 School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083, China
Critical assessment of three kinds of activity coefficients of carbon and related mixing thermodynamic functions of Fe�CC binary melts based on atom�Cmolecule coexistence theory
1 CAS Key Laboratory of Green Process and Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China 2 Department of Metallurgy and Raw Materials, China Metallurgical Industry Planning and Research Institute, Beijing 100711, China 3 School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083, China
ժҪ Raoultian activity coefficients ��0C of C in infinitely dilute Fe�CC binary melts at temperatures of 1833, 1873, 1923, and 1973 K have been determined from the converted mass action concentrations N��C of C in Fe�CC binary melts by the developed AMCT-Ni model based on the atom�Cmolecule coexistence theory (AMCT). The obtained expression of ��0C by the developed AMCT-Ni model has been evaluated to be accurate based on the reported ones from the literature. Meanwhile, three activity coefficients ��C, f%,C, and fH,C of C coupled with activity aR,C or a%,C or aH,C have been obtained by the developed AMCT-Ni model and assessed through comparing with the predicted ones by other models from the literature. The first-order activity interaction coefficients ��CC, eCC, and hCC related to ��C, f%,C, and fH,C are also determined and assessed in comparison with the reported ones from the literature. Furthermore, the integral molar mixing thermodynamic functions such as ��mixHm,Fe-C, ��mixSm,Fe-C, and ��mixGm,Fe-C of Fe�CC binary melts over a temperature range from 1833 to 1973 K have been determined and evaluated to be valid based on the determined ones from the literature.
Abstract��Raoultian activity coefficients ��0C of C in infinitely dilute Fe�CC binary melts at temperatures of 1833, 1873, 1923, and 1973 K have been determined from the converted mass action concentrations N��C of C in Fe�CC binary melts by the developed AMCT-Ni model based on the atom�Cmolecule coexistence theory (AMCT). The obtained expression of ��0C by the developed AMCT-Ni model has been evaluated to be accurate based on the reported ones from the literature. Meanwhile, three activity coefficients ��C, f%,C, and fH,C of C coupled with activity aR,C or a%,C or aH,C have been obtained by the developed AMCT-Ni model and assessed through comparing with the predicted ones by other models from the literature. The first-order activity interaction coefficients ��CC, eCC, and hCC related to ��C, f%,C, and fH,C are also determined and assessed in comparison with the reported ones from the literature. Furthermore, the integral molar mixing thermodynamic functions such as ��mixHm,Fe-C, ��mixSm,Fe-C, and ��mixGm,Fe-C of Fe�CC binary melts over a temperature range from 1833 to 1973 K have been determined and evaluated to be valid based on the determined ones from the literature.
Xue-min Yang . Jin-yan Li . Fang-jia Yan . Dong-ping Duan . Jian Zhang. Critical assessment of three kinds of activity coefficients of carbon and related mixing thermodynamic functions of Fe�CC binary melts based on atom�Cmolecule coexistence theory[J].Journal of Iron and Steel Research International, 2018, 25(2): 181-199.
Xue-min Yang . Jin-yan Li . Fang-jia Yan . Dong-ping Duan . Jian Zhang. Critical assessment of three kinds of activity coefficients of carbon and related mixing thermodynamic functions of Fe�CC binary melts based on atom�Cmolecule coexistence theory. , 2018, 25(2): 181-199.
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