Acta Metallurgica Sinica (English Letters) ›› 2010, Vol. 23 ›› Issue (5): 381-395.DOI: 10.11890/1006-7191-105-381

• 研究论文 • 上一篇    下一篇

A NOVEL MOLECULAR INTERACTION CHEMICAL MODEL FOR THE SILICATE MELTS

陶东平   

  1. 昆明理工大学冶金与能源工程学院冶金系
  • 收稿日期:2010-02-24 修回日期:2010-06-04 出版日期:2010-10-25 发布日期:2010-10-14
  • 通讯作者: 陶东平

A novel molecular interaction chemical model for silicate melts

Dongping TAO   

  1. Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China
  • Received:2010-02-24 Revised:2010-06-04 Online:2010-10-25 Published:2010-10-14
  • Contact: Dongping TAO

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摘要： A novel molecular interaction chemical model (MICM) for the silicate melts has been suggested based on the statistical thermodynamics. It can simultaneously predict the activities of all components in the CaO-FeO-SiO2 and CaO-Al2O3-SiO2 melts using only four binary parameters for each binary melt which can be determined by fitting the activities of its two components. The results indicate that the predicted values of activity of FeO and SiO2 are in good agreement with the experimental data at both temperatures 1823 K and 1873 K, and those of CaO, SiO2 and Al2O3 are in reasonably agreement with the graphical integration data of the Gibbs-Duhem equation. This shows that the model is effective in which the physical interaction plays a main role and the chemical one does the auxiliary function.

关键词: Activity, Prediction, Oxide melts, Silicates, A novel model

Abstract: A novel molecular interaction chemical model (MICM) for silicate melts has been suggested based on statistical thermodynamics. It can simultaneously predict activities of all components in the CaO-FeO-SiO2 and CaO-Al2O3-SiO2 melts using only four binary parameters for each binary melt which can be determined by fitting activities of its two components. The results indicate that the predicted values of activity of FeO and SiO2 are in good agreement with the experimental data at 1823 K and 1873 K, and those of CaO, SiO2 and Al2O3 are in reasonable agreement with the graphical integration data of the Gibbs-Duhem equation. This shows that the model is effective in which the physical interaction plays a main role and the chemical one does the auxiliary function.

Key words: Activity, Prediction, Oxide melts, Silicates, Thermodynamic model