Zhaochun ZHANG
,
Hang SU
,
Nianyi CHEN
,
Ruiwu PENG
材料科学技术（英文）
In this paper, the NRTL equation approach has been used for calculating the activity coefficient and excess Gibbs free energy of the binary alloy system involving two-liquid coexisting phases. The parameters needed for the calculation are the differences of interaction energies (g12-g22), (g21-g11) and nonrandomness constant α, which are determined by solving NRTL equation with the aid of genetic algorithm. The calculation is carried out numerically for Al-In system. The agreement between the calculated and experimentally determined values of activity coefficient and excess Gibbs free energy is rather good, indicating the validity of the NRTL equation for the description of two-liquid coexisting phase alloy systems.
关键词:
Zhaochun ZHANG
,
Deliang CUI
,
Baibiao HUANG
,
Xiaoyan QIN
,
Minhua JIANG
材料科学技术（英文）
The calculation of the model parameters, lambda(11), lambda(12), lambda(21) and lambda(22), was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.
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