Dongping TAO
金属学报(英文版)
The molecular interaction vacancy model (MIVM) is used to estimate simultaneously activities of all components in a range of entire composition of six binary oxide solid solutions and the MnO-FeO-CaO ternary solid solution by their binary infinite dilute activity coefficients. The average errors are the 0.03%--5.0% for the binaries and the 4.11%--25.2% for the ternary which is less than that (4.84%--41.2%) of the sub-regular solution model (SRSM). This shows that MIVM is more effective and reliable than SRSM for the ternary and does not depend on a polynomial approximation with some ternary adjustable parameters.
关键词:
Estimation
Dongping TAO
,
Zhuo CHEN
,
Dunfang LI
,
Yifeng GAO
,
Qianghua SHEN
材料科学技术（英文）
The coordination numbers in the molecular interaction volume model (MIVM) can be calculated from the common physical quantities of pure liquid metals. A notable feature of the model lie in its capability to predict the thermodynamic properties of solutes in the Zn-Pb-In and Zn-Sn-Cd-Pb dilute solutions using only the binary infinite dilute activity coefficients, and the predicted values are in good agreement with the experimental data of the dilute solutions.
关键词:
Activity
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null
,
null
,
null
Dongping TAO
金属学报(英文版)
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.
关键词:
Activity
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Prediction
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Oxide melts
,
Silicates
,
A novel model
