Iron Base, Nickel-based Liquid Alloys System, The Molecular Interaction Volume Model

In this thesis,the activities of both components in the 31 iron-based and nickel-based binary liquid alloys have been predicted by the molecular interaction volume model(MIVM).The results show that the predicted values of MIVM are good in the positive deviation systems.The calculated results are in agreement with the experimental data,the average absolute and relative errors of the predicted and the fitting in liquid alloys are 0.0317,0.0162,4.2%,1.9%,respectively;Relatively,the results in the coexisted (positive or negative)deviation systems are worse,the average absolute and relative errors of the predicted and the fitting in liquid alloys are 0.1455,0.0818,40.4%,16.7%, respectively;For the negative deviation systems,the results are complex,the average absolute and relative errors of the predicted and the fitting in liquid alloys are 0.0301, 0.0178,26.0%,8.1%,respectively.Then based on the results in 31 binary liquid alloys,the activity of the first component of 11 ternary iron-based and nickel-based liquid alloys have been also predicted by the MIVM and compared with their experimental data.The results show that MIVM can be affected by its correlative binary systems,when they are the positive deviation systems the result will always be good.For example,in Cu-Ni-Co alloy,the average absolute and relative errors of predicted are 0.0723,10.2%,the largest fitting errors are 0.0823,11.4% and the lest fitting errors are 0.0569,7.8%;Whereas,when they are the coexisted or the negative deviation systems the result will always be worse,such as Mg-Cu-Si,Fe-Au-Ni and Cu-Fe-Pt,the exact data are shown in chapter 3.This shows that MIVM can be used to predict multi-components liquid alloys.Finally,MIVM is of a dearer physical meaning.It is a two-parameter model,namely, it can predicts thermodynamic properties of multi-components liquid alloys using only its binary infinite dilution activity coefficients.This shows that the model can be used to predict the activities of components in liquid alloys.