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Open AccessArticle

Estimation of Activity Interaction Parameters in Fe-S-j Systems

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School of Metallurgy, Northeastern University, Shenyang 110004, China
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School of Metallurgical Engineering, Anhui University of Technology, Maanshan 243002, China
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Institute of International Vanadium Titanium, Panzhihua University, Panzhihua 617000, China
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Institute of Solid State Physics, Vienna University of Technology, Wiedner Hauptstr. 8-10, 1040 Vienna, Austria
*
Authors to whom correspondence should be addressed.
Entropy 2018, 20(10), 808; https://doi.org/10.3390/e20100808
Received: 3 September 2018 / Revised: 17 September 2018 / Accepted: 10 October 2018 / Published: 22 October 2018
(This article belongs to the Section Thermodynamics)
It is important to know the activity interaction parameters between components in melts in the process of metallurgy. However, it’s considerably difficult to measure them experimentally, relying still to a large extent on theoretical calculations. In this paper, the first-order activity interaction parameter ( e s j ) of j on sulphur in Fe-based melts at 1873 K is investigated by a calculation model established by combining the Miedema model and Toop-Hillert geometric model as well as considering excess entropy and mixing enthalpy. We consider two strategies, with or without using excess entropy in the calculations. Our results show that: (1) the predicted values are in good agreement with those recommended by Japan Society for Promotion of Science (JSPS); and (2) the agreement is even better when excess entropy is considered in the calculations. In addition, the deviations of our theoretical results from experimental values | e S ( exp ) j e S ( cal ) j | depend on the element j’s locations in the periodic table. View Full-Text
Keywords: interaction parameter model; miedema model; iron-based melts; desulphurization thermodynamics interaction parameter model; miedema model; iron-based melts; desulphurization thermodynamics
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Ju, T.; Ding, X.; Zhang, Y.; Chen, W.; Cheng, X.; Wang, B.; Dai, J.; Yan, X. Estimation of Activity Interaction Parameters in Fe-S-j Systems. Entropy 2018, 20, 808.

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