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	Representation Reaction Abilities of Structural Units and Related Thermodynamic Properties in Fe-P Binary Melts Based on the Atom-Molecule Coexistence Theory
	Yang, Xue-min1; Li, Peng-cheng1,2; Li, Jin-yan1,2; Zhang, Meng1,3; Zhang, Jian-liang2; Zhang, Jian2
刊名	STEEL RESEARCH INTERNATIONAL
	2014-03-01
卷号	85期号:3页码:426-460
关键词	Fe-P binary melts activity of phosphorus mass action concentration reaction ability atom and molecule coexistence theory (AMCT)
ISSN号	1611-3683
其他题名	Steel Res. Int.
中文摘要	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 coefficient gamma(0)(P) of P and gamma(0)(Fe) 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 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 coefficient epsilon(i)(i) or e(i)(i) or h(i)(i) of P and Fe related with activity coefficients gamma(i) or f(%i) or f(H,i) of P and Fe in Fe-P binary melts are also determined.
英文摘要	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 coefficient gamma(0)(P) of P and gamma(0)(Fe) 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 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 coefficient epsilon(i)(i) or e(i)(i) or h(i)(i) of P and Fe related with activity coefficients gamma(i) or f(%i) or f(H,i) of P and Fe in Fe-P binary melts are also determined.
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]	CAO-SIO2-MGO-AL2O3 IRONMAKING SLAGS ; QUASI-CHEMICAL MODEL ; TRANSPORTATION METHOD ; IRON-PHOSPHORUS ; MASS-SPECTROMETRY ; PHASE-EQUILIBRIA ; TERNARY-SYSTEM ; ALLOYS ; CR ; PREDICTION
收录类别	SCI
原文出处	://WOS:000332335300012
语种	英语
WOS记录号	WOS:000332335300012
公开日期	2014-08-28
内容类型	期刊论文
版本	出版稿
源URL	[http://ir.ipe.ac.cn/handle/122111/11011]
专题	过程工程研究所_研究所（批量导入）
作者单位	1.Chinese Acad Sci, State Key Lab Multiphase Complex Syst, Inst Proc Engn, 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, Peng-cheng,Li, Jin-yan,et al. Representation Reaction Abilities of Structural Units and Related Thermodynamic Properties in Fe-P Binary Melts Based on the Atom-Molecule Coexistence Theory[J]. STEEL RESEARCH INTERNATIONAL,2014,85(3):426-460.
APA	Yang, Xue-min,Li, Peng-cheng,Li, Jin-yan,Zhang, Meng,Zhang, Jian-liang,&Zhang, Jian.(2014).Representation Reaction Abilities of Structural Units and Related Thermodynamic Properties in Fe-P Binary Melts Based on the Atom-Molecule Coexistence Theory.STEEL RESEARCH INTERNATIONAL,85(3),426-460.
MLA	Yang, Xue-min,et al."Representation Reaction Abilities of Structural Units and Related Thermodynamic Properties in Fe-P Binary Melts Based on the Atom-Molecule Coexistence Theory".STEEL RESEARCH INTERNATIONAL 85.3(2014):426-460.

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