A Thermodynamic Model for Representation Reaction Abilities of Structural Units in Fe-S Binary Melts Based on the Atom-M
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rcentage of S as standard % ¼ 0:219 33:70T ðJ/molÞ: Dsol GH; m;SðlÞ!½S
state
can
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formulated
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½pct S¼ 1:0
DOI: 10.1007/s11663-012-9707-6 Ó The Minerals, Metals & Materials Society and ASM International 2012 I. XUE-MIN YANG, Research Professor, is with the State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, P.R. China. Contact e-mail: [email protected] MENG ZHANG, formerly Master Degree Student, Institute of Process Engineering, Chinese Academy of Sciences, is now with Beijing Metallurgical Equipment Research Design Institute Company Limited, China Metallurgical Group Corporation, Beijing 100029, P.R. China. PENG-CHENG LI, Ph.D. Candidate and Joint-Training Student, and JIN-YAN LI, Master Degree Student and Joint-Training Student, are with the State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083, P.R. China, and with the Institute of Process Engineering, Chinese Academy of Sciences. JIAN-LIANG ZHANG, Professor, and JIAN ZHANG, Professor Emeritus, are with the School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing. Manuscript submitted April 10, 2012. Article published online September 25, 2012. 1358—VOLUME 43B, DECEMBER 2012
INTRODUCTION
THE binary melts of Fe and S (Fe-S) is of importance to hot corrosion of metals in material science, smelting process in nonferrous metallurgy, steelmaking processes in ferrous metallurgy, and S-containing materials in geochemistry and cosmochemistry.[1] Many researchers[2–5] have paid tremendous attention to determining the basic properties for adding more accurate information on the phase diagram of Fe-S binary melts. The thermodynamic modeling over the full composition range from pure Fe to pure S for Fe-S binary melts had been carried out by many researchers[1,6–10] and was recently reviewed by Waldner and Pelton.[1] Hillert and Staffansson[6] had treated high-temperature pyrrhotite as the stoichiometric compound FeS. Sharma and Chang[7] had assumed an associated FeS specie existing in liquid phase. Guillermet et al.[8] had applied the twoMETALLURGICAL AND MATERIALS TRANSACTIONS B
sublattic models for the liquid phase and the pyrrhotite phase. Chuang et al.[9] had reevaluated Fe-S binary melts for the liquid phase and the solid monosulfide phase on the basis of newer data after their earlier work by Sharma and Chang.[7] Kongoli et al.[10] had used the modified quasi-chemical model for short range ordering to describe the liquid phase without considering the solid phase. Waldner and Pelton[1] had modeled the full composition range of Fe-S binary melts from 298 K (25 °C) to above the liquidus temperatures with the improved modified quasi-chemical model. The above-mentioned studies[1,6–10] on the thermodynamic modeling of Fe-S binary melts are usually suitable for the full composition range of Fe-S binary melts from 298 K (25 °C) to above the liquidus temperatures. The investigation of therm
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