Application of molecular interaction volume model for predicting the Ca activity coefficients in Si-Ca binary and Si-Ca-Pb ternary alloys

摘要

In this paper, the activity coefficients of calcium in Si-Ca binary and Si-Ca-Pb ternary alloys were each calculated by the molecular interaction volume model (MIVM). The value of the infinite dilution activity coefficient of calcium was determined to be 0.000863 in the Si-Ca binary alloy at 1723 K. The activities of silicon and lead in the Si-Pb binary alloy and of calcium and lead in the Ca-Pb binary alloy were calculated by the Kuo-chih Chou's method using phase diagrams, whose effectiveness was verified. In comparison with the experimental data, all errors predicted by the MIVM were between +/- 0.22 to +/- 29.7% and the standard deviations were between +/- 2.26 x 10(-7) to +/- 0.073. Such predicted values are actually small and in good agreement with the experimental data, which indicates that the MIVM is reliable to predict the activities or activity coefficients of Si-Ca binary and Si-Ca-Pb ternary alloys. (C) 2016 Published by Elsevier Ltd.