Structure of alloy melts and a thermodynamic model based on atom- molecule theory in alloy melts
MU Jun- yu1,2,GUO Han- jie1,2
1. Metallurgical and Ecological Engineering School, University of Science and Technology Beijing, Beijing 100083, China 2. Beijing Key Laboratory of Special Melting Materials, University of Science and Technology Beijing, Beijing 100083, China
Abstract：Based on the research of the structure of molten metal, it has been proved that the short- range order structures is existing in molten metal and atom- molecule clusters have been found in alloy melts containing intermetallic compounds, that is to say, the intermetallic compounds in solid do not disappear in alloy melts. Actually, clusters in alloy melts are exiting in molecules, which constitutes chemical equilibrium with free atoms in melts. On the basis of the structure of molten metal, a atom- molecule thermodynamic model which is suitable for the molten metal has been put forward. Then taking the Ca- Mg alloy melts for example, the modelling and solving method of the thermodynamic model has been introduced and the mole fraction of each component in Ca- Mg alloy melts has been calculated at 1010K. By comparison, the calculated mole fractions are consistent with the reported activities of Ca and Mg in Ca- Mg binary melts, which has proved both metal atoms and intermetallic compound molecules are simultaneously existing in alloy melts and are in the dynamic chemical balance. When they reach the chemical balance, the mole fraction of metal atoms actually equals their activity. Therefore, there is no activity for alloy melts.
牟俊宇 ，郭汉杰 . 合金熔体结构和原子- 分子热力学模型[J]. 中国冶金, 2016, 26(03): 22-28.
MU Jun- yu,,GUO Han- jie,. Structure of alloy melts and a thermodynamic model based on atom- molecule theory in alloy melts. China Metallurgy, 2016, 26(03): 22-28.
2016, Vol. 26 
