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	Determination of Activity Coefficients of Elements and Related Thermodynamic Properties of Fe-Si Binary Melts Based on the Atom-Molecule Coexistence Theory
	Yang, Xue-min1; Li, Jin-yan1,2; Li, Peng-cheng1,2; Zhang, Meng1,3; Zhang, Jian2
刊名	STEEL RESEARCH INTERNATIONAL
	2014-02-01
卷号	85期号:2页码:164-206
关键词	activity of silicon atom and molecule coexistence theory (AMCT) FeSi binary melts mass action concentration thermodynamic properties
ISSN号	1611-3683
其他题名	Steel Res. Int.
中文摘要	The Raoultian activity coefficient gamma(0)(Si) of Si and gamma(0)(Fe) of Fe in the infinitely dilute solution of Fe-Si binary melts at temperatures of 1693, 1773, 1873, and 1973 K have been determined from the calculated mass action concentrations N-i of structural units in Fe-Si binary melts based on the atom and molecule coexistence theory (AMCT). The activity coefficients of elements gamma(i) relative to pure liquid matter as standard state or f(%, i) referred to 1 mass percentage as standard state or f(H, i) based on the hypothetical pure liquid matter as standard state have been obtained. The values of first-order activity interaction coefficient epsilon(i)(i) or e(i)(i) or h(i)(i) of Si and Fe related with activity coefficients gamma(i) or f(%, i) or f(H, i) of Si and Fe are also determined. The standard molar Gibbs free energy change of dissolving liquid element i(l) for forming 1 mass percentage of element i in Fe-Si binary melts have been deduced in a temperature range from 1693 K to 1973 K. The molar mixing thermodynamic properties, such as molar mixing Gibbs energy change/enthalpy change/entropy change of Fe-Si binary melts have been reliably determined in a temperature range from 1693 K to 1973 K. The excess values and excess degrees of the above-mentioned molar mixing thermodynamic properties of Fe-Si binary melts have been also determined based on ideal solution or regular solution as a basis, respectively. The determined molar mixing Gibbs energy change of Fe-Si binary melts is equal to that based on regular solution as a basis in the full composition range of Fe-Si binary melts in a temperature range from 1693 K to 1973 K. The partial mixing thermodynamic properties of Si and Fe are not recommended to obtain from the calculated mass action concentration N-Si of Si and N-Fe of Fe as well as the measured activity a(R, Si) of Si and a(R, Fe) of Fe in Fe-Si binary melts.
英文摘要	The Raoultian activity coefficient gamma(0)(Si) of Si and gamma(0)(Fe) of Fe in the infinitely dilute solution of Fe-Si binary melts at temperatures of 1693, 1773, 1873, and 1973 K have been determined from the calculated mass action concentrations N-i of structural units in Fe-Si binary melts based on the atom and molecule coexistence theory (AMCT). The activity coefficients of elements gamma(i) relative to pure liquid matter as standard state or f(%, i) referred to 1 mass percentage as standard state or f(H, i) based on the hypothetical pure liquid matter as standard state have been obtained. The values of first-order activity interaction coefficient epsilon(i)(i) or e(i)(i) or h(i)(i) of Si and Fe related with activity coefficients gamma(i) or f(%, i) or f(H, i) of Si and Fe are also determined. The standard molar Gibbs free energy change of dissolving liquid element i(l) for forming 1 mass percentage of element i in Fe-Si binary melts have been deduced in a temperature range from 1693 K to 1973 K. The molar mixing thermodynamic properties, such as molar mixing Gibbs energy change/enthalpy change/entropy change of Fe-Si binary melts have been reliably determined in a temperature range from 1693 K to 1973 K. The excess values and excess degrees of the above-mentioned molar mixing thermodynamic properties of Fe-Si binary melts have been also determined based on ideal solution or regular solution as a basis, respectively. The determined molar mixing Gibbs energy change of Fe-Si binary melts is equal to that based on regular solution as a basis in the full composition range of Fe-Si binary melts in a temperature range from 1693 K to 1973 K. The partial mixing thermodynamic properties of Si and Fe are not recommended to obtain from the calculated mass action concentration N-Si of Si and N-Fe of Fe as well as the measured activity a(R, Si) of Si and a(R, Fe) of Fe in Fe-Si binary melts.
WOS标题词	Science & Technology ; Technology
类目[WOS]	Metallurgy & Metallurgical Engineering
研究领域[WOS]	Metallurgy & Metallurgical Engineering
关键词[WOS]	MASS-ACTION CONCENTRATIONS ; SILICON SOLID-SOLUTIONS ; CAO-SIO2-MGO-AL2O3 IRONMAKING SLAGS ; GRAPHITE-SATURATED IRON ; CR-P MELTS ; ORDERING REACTIONS ; LIQUID-IRON ; EQUILIBRIUM CONSIDERATIONS ; MODEL ; SYSTEM
收录类别	SCI
原文出处	://WOS:000331948200004
语种	英语
WOS记录号	WOS:000331948200004
公开日期	2014-05-06
内容类型	期刊论文
版本	出版稿
源URL	[http://ir.ipe.ac.cn/handle/122111/8071]
专题	过程工程研究所_研究所（批量导入）
作者单位	1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China 2.Univ Sci & Technol Beijing, Sch Met & Ecol Engn, Beijing 100083, Peoples R China 3.China Met Grp Corp, Beijing Met Equipment Res Design Inst Co Ltd, Beijing 100029, Peoples R China
推荐引用方式 GB/T 7714	Yang, Xue-min,Li, Jin-yan,Li, Peng-cheng,et al. Determination of Activity Coefficients of Elements and Related Thermodynamic Properties of Fe-Si Binary Melts Based on the Atom-Molecule Coexistence Theory[J]. STEEL RESEARCH INTERNATIONAL,2014,85(2):164-206.
APA	Yang, Xue-min,Li, Jin-yan,Li, Peng-cheng,Zhang, Meng,&Zhang, Jian.(2014).Determination of Activity Coefficients of Elements and Related Thermodynamic Properties of Fe-Si Binary Melts Based on the Atom-Molecule Coexistence Theory.STEEL RESEARCH INTERNATIONAL,85(2),164-206.
MLA	Yang, Xue-min,et al."Determination of Activity Coefficients of Elements and Related Thermodynamic Properties of Fe-Si Binary Melts Based on the Atom-Molecule Coexistence Theory".STEEL RESEARCH INTERNATIONAL 85.2(2014):164-206.

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