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
,
null
,
null
,
null
H.W. Yang
,
D.P. Tao
,
Z.H. Zhou
金属学报(英文版)
The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model (MIVM), which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted values are in agreement with the experimental data and then indicate that the model is reliable and convenient.
关键词:
Molecular interaction volume model
,
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
,
Prediction
,
Oxide melts
,
Silicates
,
A novel model
